USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 20 MET CE :methyl 173:sc= 0 (180deg=-0.0567) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= -0.833! (180deg=-4.63!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 1.32 (180deg=0.143) USER MOD Single : A 31 SER OG : rot 126:sc= 0.748 USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= 0.64 (180deg=-1.79!) USER MOD Single : A 37 LYS NZ :NH3+ 140:sc= -2.53! (180deg=-3.79!) USER MOD Single : A 41 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.75) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= -7.84! (180deg=-16!) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= -1.29 (180deg=-4.5!) USER MOD Single : A 54 GLN : amide:sc= 0.47 K(o=0.47,f=-0.63) USER MOD Single : A 58 ASN : amide:sc= 0.96 K(o=0.96,f=-4.2!) USER MOD Single : A 60 TYR OH : rot 27:sc= 0.902 USER MOD Single : A 63 TYR OH : rot 150:sc= -0.386 USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= -1.33! (180deg=-2.99!) USER MOD Single : A 77 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.2!) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.02 F(o=-3.8!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 4.622 -3.511 1.271 1.00 0.92 N ATOM 2 CA MET A 20 5.735 -3.381 0.288 1.00 0.74 C ATOM 3 C MET A 20 6.034 -1.881 0.181 1.00 0.68 C ATOM 4 O MET A 20 5.480 -1.127 0.951 1.00 0.97 O ATOM 5 CB MET A 20 5.325 -3.917 -1.119 1.00 0.47 C ATOM 6 CG MET A 20 4.804 -5.361 -1.056 1.00 0.53 C ATOM 7 SD MET A 20 3.188 -5.589 -0.271 1.00 0.62 S ATOM 8 CE MET A 20 2.197 -5.046 -1.685 1.00 0.85 C ATOM 0 HA MET A 20 6.597 -3.961 0.618 1.00 0.74 H new ATOM 0 HB2 MET A 20 4.555 -3.272 -1.542 1.00 0.47 H new ATOM 0 HB3 MET A 20 6.184 -3.870 -1.789 1.00 0.47 H new ATOM 0 HG2 MET A 20 4.750 -5.751 -2.072 1.00 0.53 H new ATOM 0 HG3 MET A 20 5.535 -5.967 -0.520 1.00 0.53 H new ATOM 0 HE1 MET A 20 1.141 -5.218 -1.477 1.00 0.85 H new ATOM 0 HE2 MET A 20 2.364 -3.983 -1.859 1.00 0.85 H new ATOM 0 HE3 MET A 20 2.489 -5.609 -2.571 1.00 0.85 H new ATOM 20 N LYS A 21 6.869 -1.505 -0.739 1.00 0.43 N ATOM 21 CA LYS A 21 7.248 -0.081 -0.961 1.00 0.45 C ATOM 22 C LYS A 21 6.664 0.590 -2.200 1.00 0.27 C ATOM 23 O LYS A 21 6.320 0.030 -3.226 1.00 0.38 O ATOM 24 CB LYS A 21 8.787 0.026 -1.042 1.00 0.69 C ATOM 25 CG LYS A 21 9.327 0.456 0.310 1.00 0.83 C ATOM 26 CD LYS A 21 10.875 0.575 0.232 1.00 1.18 C ATOM 27 CE LYS A 21 11.630 -0.781 0.107 1.00 0.94 C ATOM 28 NZ LYS A 21 11.175 -1.698 1.185 1.00 1.24 N ATOM 0 H LYS A 21 7.327 -2.156 -1.377 1.00 0.43 H new ATOM 0 HA LYS A 21 6.821 0.450 -0.110 1.00 0.45 H new ATOM 0 HB2 LYS A 21 9.216 -0.934 -1.330 1.00 0.69 H new ATOM 0 HB3 LYS A 21 9.074 0.746 -1.808 1.00 0.69 H new ATOM 0 HG2 LYS A 21 8.892 1.412 0.601 1.00 0.83 H new ATOM 0 HG3 LYS A 21 9.045 -0.268 1.074 1.00 0.83 H new ATOM 0 HD2 LYS A 21 11.134 1.199 -0.623 1.00 1.18 H new ATOM 0 HD3 LYS A 21 11.231 1.092 1.123 1.00 1.18 H new ATOM 0 HE2 LYS A 21 11.441 -1.227 -0.869 1.00 0.94 H new ATOM 0 HE3 LYS A 21 12.705 -0.620 0.181 1.00 0.94 H new ATOM 0 HZ1 LYS A 21 11.999 -2.162 1.617 1.00 1.24 H new ATOM 0 HZ2 LYS A 21 10.664 -1.155 1.910 1.00 1.24 H new ATOM 0 HZ3 LYS A 21 10.543 -2.420 0.783 1.00 1.24 H new ATOM 42 N THR A 22 6.606 1.852 -1.940 1.00 0.26 N ATOM 43 CA THR A 22 6.123 2.925 -2.829 1.00 0.29 C ATOM 44 C THR A 22 7.203 3.968 -2.952 1.00 0.27 C ATOM 45 O THR A 22 7.372 4.526 -4.019 1.00 0.31 O ATOM 46 CB THR A 22 4.933 3.524 -2.231 1.00 0.62 C ATOM 47 OG1 THR A 22 5.292 3.653 -0.863 1.00 0.81 O ATOM 48 CG2 THR A 22 3.854 2.487 -2.198 1.00 0.60 C ATOM 0 H THR A 22 6.912 2.218 -1.038 1.00 0.26 H new ATOM 0 HA THR A 22 5.880 2.528 -3.815 1.00 0.29 H new ATOM 0 HB THR A 22 4.622 4.432 -2.748 1.00 0.62 H new ATOM 0 HG1 THR A 22 4.548 4.054 -0.366 1.00 0.81 H new ATOM 0 HG21 THR A 22 2.954 2.913 -1.754 1.00 0.60 H new ATOM 0 HG22 THR A 22 3.637 2.156 -3.213 1.00 0.60 H new ATOM 0 HG23 THR A 22 4.185 1.636 -1.602 1.00 0.60 H new ATOM 56 N GLU A 23 7.883 4.200 -1.861 1.00 0.29 N ATOM 57 CA GLU A 23 8.984 5.214 -1.897 1.00 0.21 C ATOM 58 C GLU A 23 10.214 4.414 -1.476 1.00 0.14 C ATOM 59 O GLU A 23 10.061 3.510 -0.678 1.00 0.17 O ATOM 60 CB GLU A 23 8.792 6.364 -0.852 1.00 0.25 C ATOM 61 CG GLU A 23 7.444 7.152 -0.927 1.00 0.46 C ATOM 62 CD GLU A 23 6.222 6.410 -0.357 1.00 2.15 C ATOM 63 OE1 GLU A 23 6.285 5.920 0.753 1.00 3.05 O ATOM 64 OE2 GLU A 23 5.249 6.385 -1.095 1.00 3.11 O ATOM 0 H GLU A 23 7.731 3.743 -0.962 1.00 0.29 H new ATOM 0 HA GLU A 23 9.037 5.687 -2.877 1.00 0.21 H new ATOM 0 HB2 GLU A 23 8.883 5.937 0.147 1.00 0.25 H new ATOM 0 HB3 GLU A 23 9.610 7.074 -0.971 1.00 0.25 H new ATOM 0 HG2 GLU A 23 7.561 8.093 -0.390 1.00 0.46 H new ATOM 0 HG3 GLU A 23 7.244 7.402 -1.969 1.00 0.46 H new ATOM 71 N TRP A 24 11.382 4.725 -1.971 1.00 0.14 N ATOM 72 CA TRP A 24 12.568 3.914 -1.531 1.00 0.23 C ATOM 73 C TRP A 24 13.690 4.643 -0.777 1.00 0.27 C ATOM 74 O TRP A 24 14.829 4.672 -1.208 1.00 0.30 O ATOM 75 CB TRP A 24 13.077 3.228 -2.814 1.00 0.28 C ATOM 76 CG TRP A 24 12.271 1.973 -3.059 1.00 0.21 C ATOM 77 CD1 TRP A 24 12.582 0.732 -2.604 1.00 0.25 C ATOM 78 CD2 TRP A 24 11.109 1.941 -3.707 1.00 0.22 C ATOM 79 NE1 TRP A 24 11.548 0.022 -3.017 1.00 0.24 N ATOM 80 CE2 TRP A 24 10.611 0.667 -3.687 1.00 0.23 C ATOM 81 CE3 TRP A 24 10.432 2.961 -4.332 1.00 0.23 C ATOM 82 CZ2 TRP A 24 9.409 0.396 -4.280 1.00 0.24 C ATOM 83 CZ3 TRP A 24 9.225 2.687 -4.931 1.00 0.28 C ATOM 84 CH2 TRP A 24 8.713 1.419 -4.899 1.00 0.27 C ATOM 0 H TRP A 24 11.570 5.475 -2.636 1.00 0.14 H new ATOM 0 HA TRP A 24 12.237 3.220 -0.758 1.00 0.23 H new ATOM 0 HB2 TRP A 24 12.986 3.905 -3.663 1.00 0.28 H new ATOM 0 HB3 TRP A 24 14.134 2.982 -2.714 1.00 0.28 H new ATOM 0 HD1 TRP A 24 13.450 0.409 -2.048 1.00 0.25 H new ATOM 0 HE1 TRP A 24 11.477 -0.978 -2.827 1.00 0.24 H new ATOM 0 HE3 TRP A 24 10.841 3.960 -4.352 1.00 0.23 H new ATOM 0 HZ2 TRP A 24 9.007 -0.606 -4.265 1.00 0.24 H new ATOM 0 HZ3 TRP A 24 8.680 3.475 -5.428 1.00 0.28 H new ATOM 0 HH2 TRP A 24 7.758 1.215 -5.360 1.00 0.27 H new ATOM 95 N PRO A 25 13.366 5.215 0.366 1.00 0.31 N ATOM 96 CA PRO A 25 14.417 5.835 1.237 1.00 0.38 C ATOM 97 C PRO A 25 15.496 4.755 1.440 1.00 0.49 C ATOM 98 O PRO A 25 16.682 4.972 1.311 1.00 0.57 O ATOM 99 CB PRO A 25 13.617 6.276 2.491 1.00 0.37 C ATOM 100 CG PRO A 25 12.311 5.431 2.448 1.00 0.33 C ATOM 101 CD PRO A 25 11.998 5.296 0.951 1.00 0.30 C ATOM 0 HA PRO A 25 14.957 6.704 0.861 1.00 0.38 H new ATOM 0 HB2 PRO A 25 14.180 6.088 3.405 1.00 0.37 H new ATOM 0 HB3 PRO A 25 13.398 7.344 2.465 1.00 0.37 H new ATOM 0 HG2 PRO A 25 12.452 4.456 2.915 1.00 0.33 H new ATOM 0 HG3 PRO A 25 11.499 5.925 2.981 1.00 0.33 H new ATOM 0 HD2 PRO A 25 11.406 4.407 0.735 1.00 0.30 H new ATOM 0 HD3 PRO A 25 11.439 6.151 0.570 1.00 0.30 H new ATOM 109 N GLU A 26 14.957 3.606 1.729 1.00 0.51 N ATOM 110 CA GLU A 26 15.641 2.307 1.991 1.00 0.65 C ATOM 111 C GLU A 26 16.924 2.072 1.165 1.00 0.65 C ATOM 112 O GLU A 26 17.835 1.383 1.598 1.00 0.85 O ATOM 113 CB GLU A 26 14.601 1.189 1.705 1.00 0.71 C ATOM 114 CG GLU A 26 13.340 1.316 2.628 1.00 1.81 C ATOM 115 CD GLU A 26 12.573 -0.017 2.902 1.00 1.86 C ATOM 116 OE1 GLU A 26 13.194 -1.070 2.884 1.00 1.71 O ATOM 117 OE2 GLU A 26 11.369 0.039 3.123 1.00 2.52 O ATOM 0 H GLU A 26 13.944 3.512 1.801 1.00 0.51 H new ATOM 0 HA GLU A 26 15.984 2.308 3.025 1.00 0.65 H new ATOM 0 HB2 GLU A 26 14.293 1.238 0.661 1.00 0.71 H new ATOM 0 HB3 GLU A 26 15.065 0.214 1.856 1.00 0.71 H new ATOM 0 HG2 GLU A 26 13.651 1.739 3.583 1.00 1.81 H new ATOM 0 HG3 GLU A 26 12.649 2.026 2.174 1.00 1.81 H new ATOM 124 N LEU A 27 16.956 2.653 -0.010 1.00 0.47 N ATOM 125 CA LEU A 27 18.127 2.511 -0.929 1.00 0.57 C ATOM 126 C LEU A 27 18.798 3.802 -1.445 1.00 0.43 C ATOM 127 O LEU A 27 19.562 3.727 -2.392 1.00 0.42 O ATOM 128 CB LEU A 27 17.628 1.616 -2.102 1.00 1.00 C ATOM 129 CG LEU A 27 16.254 2.103 -2.622 1.00 0.40 C ATOM 130 CD1 LEU A 27 16.425 3.513 -3.242 1.00 1.60 C ATOM 131 CD2 LEU A 27 15.797 1.233 -3.781 1.00 1.53 C ATOM 0 H LEU A 27 16.202 3.233 -0.378 1.00 0.47 H new ATOM 0 HA LEU A 27 18.943 2.076 -0.352 1.00 0.57 H new ATOM 0 HB2 LEU A 27 18.356 1.634 -2.913 1.00 1.00 H new ATOM 0 HB3 LEU A 27 17.549 0.582 -1.767 1.00 1.00 H new ATOM 0 HG LEU A 27 15.551 2.080 -1.789 1.00 0.40 H new ATOM 0 HD11 LEU A 27 15.463 3.867 -3.612 1.00 1.60 H new ATOM 0 HD12 LEU A 27 16.797 4.201 -2.483 1.00 1.60 H new ATOM 0 HD13 LEU A 27 17.135 3.464 -4.067 1.00 1.60 H new ATOM 0 HD21 LEU A 27 14.829 1.584 -4.140 1.00 1.53 H new ATOM 0 HD22 LEU A 27 16.526 1.291 -4.589 1.00 1.53 H new ATOM 0 HD23 LEU A 27 15.707 0.199 -3.447 1.00 1.53 H new ATOM 143 N VAL A 28 18.548 4.951 -0.863 1.00 0.43 N ATOM 144 CA VAL A 28 19.240 6.176 -1.403 1.00 0.41 C ATOM 145 C VAL A 28 20.701 5.938 -0.974 1.00 0.32 C ATOM 146 O VAL A 28 20.939 5.291 0.032 1.00 0.42 O ATOM 147 CB VAL A 28 18.699 7.473 -0.737 1.00 0.35 C ATOM 148 CG1 VAL A 28 19.440 8.703 -1.333 1.00 0.43 C ATOM 149 CG2 VAL A 28 17.217 7.658 -1.066 1.00 0.36 C ATOM 0 H VAL A 28 17.923 5.098 -0.070 1.00 0.43 H new ATOM 0 HA VAL A 28 19.098 6.310 -2.475 1.00 0.41 H new ATOM 0 HB VAL A 28 18.851 7.391 0.339 1.00 0.35 H new ATOM 0 HG11 VAL A 28 19.064 9.615 -0.869 1.00 0.43 H new ATOM 0 HG12 VAL A 28 20.509 8.612 -1.140 1.00 0.43 H new ATOM 0 HG13 VAL A 28 19.268 8.746 -2.408 1.00 0.43 H new ATOM 0 HG21 VAL A 28 16.850 8.569 -0.594 1.00 0.36 H new ATOM 0 HG22 VAL A 28 17.091 7.733 -2.146 1.00 0.36 H new ATOM 0 HG23 VAL A 28 16.652 6.804 -0.693 1.00 0.36 H new ATOM 159 N GLY A 29 21.642 6.441 -1.716 1.00 0.21 N ATOM 160 CA GLY A 29 23.080 6.226 -1.345 1.00 0.19 C ATOM 161 C GLY A 29 23.624 4.876 -1.845 1.00 0.09 C ATOM 162 O GLY A 29 24.789 4.609 -1.631 1.00 0.30 O ATOM 0 H GLY A 29 21.488 6.991 -2.561 1.00 0.21 H new ATOM 0 HA2 GLY A 29 23.683 7.033 -1.761 1.00 0.19 H new ATOM 0 HA3 GLY A 29 23.183 6.276 -0.261 1.00 0.19 H new ATOM 166 N LYS A 30 22.803 4.073 -2.480 1.00 0.07 N ATOM 167 CA LYS A 30 23.303 2.741 -2.981 1.00 0.26 C ATOM 168 C LYS A 30 23.404 2.759 -4.512 1.00 0.22 C ATOM 169 O LYS A 30 23.089 3.776 -5.103 1.00 0.15 O ATOM 170 CB LYS A 30 22.321 1.660 -2.469 1.00 0.49 C ATOM 171 CG LYS A 30 22.279 1.785 -0.933 1.00 0.56 C ATOM 172 CD LYS A 30 21.478 0.629 -0.304 1.00 0.86 C ATOM 173 CE LYS A 30 21.192 1.044 1.126 1.00 1.19 C ATOM 174 NZ LYS A 30 20.232 0.077 1.751 1.00 1.89 N ATOM 0 H LYS A 30 21.822 4.273 -2.674 1.00 0.07 H new ATOM 0 HA LYS A 30 24.304 2.523 -2.609 1.00 0.26 H new ATOM 0 HB2 LYS A 30 21.329 1.806 -2.896 1.00 0.49 H new ATOM 0 HB3 LYS A 30 22.652 0.665 -2.767 1.00 0.49 H new ATOM 0 HG2 LYS A 30 23.295 1.785 -0.537 1.00 0.56 H new ATOM 0 HG3 LYS A 30 21.828 2.738 -0.655 1.00 0.56 H new ATOM 0 HD2 LYS A 30 20.552 0.454 -0.851 1.00 0.86 H new ATOM 0 HD3 LYS A 30 22.047 -0.300 -0.334 1.00 0.86 H new ATOM 0 HE2 LYS A 30 22.119 1.072 1.699 1.00 1.19 H new ATOM 0 HE3 LYS A 30 20.774 2.050 1.146 1.00 1.19 H new ATOM 0 HZ1 LYS A 30 20.388 0.048 2.779 1.00 1.89 H new ATOM 0 HZ2 LYS A 30 19.257 0.382 1.557 1.00 1.89 H new ATOM 0 HZ3 LYS A 30 20.384 -0.871 1.351 1.00 1.89 H new ATOM 188 N SER A 31 23.800 1.661 -5.117 1.00 0.29 N ATOM 189 CA SER A 31 23.936 1.621 -6.608 1.00 0.28 C ATOM 190 C SER A 31 22.604 1.406 -7.279 1.00 0.30 C ATOM 191 O SER A 31 21.814 0.559 -6.900 1.00 0.54 O ATOM 192 CB SER A 31 24.890 0.470 -7.021 1.00 0.47 C ATOM 193 OG SER A 31 24.617 -0.563 -6.078 1.00 1.14 O ATOM 0 H SER A 31 24.035 0.791 -4.640 1.00 0.29 H new ATOM 0 HA SER A 31 24.339 2.582 -6.926 1.00 0.28 H new ATOM 0 HB2 SER A 31 24.697 0.139 -8.042 1.00 0.47 H new ATOM 0 HB3 SER A 31 25.933 0.783 -6.979 1.00 0.47 H new ATOM 0 HG SER A 31 24.390 -1.389 -6.554 1.00 1.14 H new ATOM 199 N VAL A 32 22.388 2.216 -8.276 1.00 0.33 N ATOM 200 CA VAL A 32 21.122 2.117 -9.030 1.00 0.32 C ATOM 201 C VAL A 32 20.626 0.701 -9.388 1.00 0.32 C ATOM 202 O VAL A 32 19.502 0.400 -9.047 1.00 0.33 O ATOM 203 CB VAL A 32 21.317 3.022 -10.259 1.00 0.39 C ATOM 204 CG1 VAL A 32 22.382 2.478 -11.247 1.00 0.59 C ATOM 205 CG2 VAL A 32 19.943 3.172 -10.902 1.00 0.40 C ATOM 0 H VAL A 32 23.034 2.938 -8.596 1.00 0.33 H new ATOM 0 HA VAL A 32 20.304 2.442 -8.387 1.00 0.32 H new ATOM 0 HB VAL A 32 21.711 3.993 -9.959 1.00 0.39 H new ATOM 0 HG11 VAL A 32 22.475 3.159 -12.093 1.00 0.59 H new ATOM 0 HG12 VAL A 32 23.343 2.398 -10.738 1.00 0.59 H new ATOM 0 HG13 VAL A 32 22.078 1.494 -11.605 1.00 0.59 H new ATOM 0 HG21 VAL A 32 20.021 3.808 -11.784 1.00 0.40 H new ATOM 0 HG22 VAL A 32 19.569 2.191 -11.194 1.00 0.40 H new ATOM 0 HG23 VAL A 32 19.255 3.625 -10.188 1.00 0.40 H new ATOM 215 N GLU A 33 21.362 -0.170 -10.031 1.00 0.30 N ATOM 216 CA GLU A 33 20.769 -1.519 -10.314 1.00 0.33 C ATOM 217 C GLU A 33 20.297 -2.161 -8.996 1.00 0.30 C ATOM 218 O GLU A 33 19.222 -2.727 -8.947 1.00 0.34 O ATOM 219 CB GLU A 33 21.831 -2.387 -11.050 1.00 0.36 C ATOM 220 CG GLU A 33 22.070 -1.805 -12.512 1.00 0.63 C ATOM 221 CD GLU A 33 20.782 -1.353 -13.224 1.00 0.97 C ATOM 222 OE1 GLU A 33 19.810 -2.081 -13.372 1.00 1.55 O ATOM 223 OE2 GLU A 33 20.824 -0.207 -13.617 1.00 1.67 O ATOM 0 H GLU A 33 22.314 -0.018 -10.363 1.00 0.30 H new ATOM 0 HA GLU A 33 19.896 -1.434 -10.961 1.00 0.33 H new ATOM 0 HB2 GLU A 33 22.766 -2.389 -10.490 1.00 0.36 H new ATOM 0 HB3 GLU A 33 21.493 -3.422 -11.109 1.00 0.36 H new ATOM 0 HG2 GLU A 33 22.754 -0.958 -12.448 1.00 0.63 H new ATOM 0 HG3 GLU A 33 22.561 -2.566 -13.119 1.00 0.63 H new ATOM 230 N GLU A 34 21.068 -2.085 -7.939 1.00 0.28 N ATOM 231 CA GLU A 34 20.590 -2.693 -6.652 1.00 0.28 C ATOM 232 C GLU A 34 19.243 -2.014 -6.347 1.00 0.23 C ATOM 233 O GLU A 34 18.248 -2.657 -6.086 1.00 0.21 O ATOM 234 CB GLU A 34 21.637 -2.411 -5.522 1.00 0.29 C ATOM 235 CG GLU A 34 22.650 -3.613 -5.452 1.00 1.60 C ATOM 236 CD GLU A 34 23.185 -3.974 -6.833 1.00 3.30 C ATOM 237 OE1 GLU A 34 23.878 -3.098 -7.325 1.00 3.92 O ATOM 238 OE2 GLU A 34 22.851 -5.069 -7.270 1.00 4.06 O ATOM 0 H GLU A 34 21.986 -1.641 -7.906 1.00 0.28 H new ATOM 0 HA GLU A 34 20.472 -3.775 -6.718 1.00 0.28 H new ATOM 0 HB2 GLU A 34 22.169 -1.481 -5.725 1.00 0.29 H new ATOM 0 HB3 GLU A 34 21.133 -2.287 -4.564 1.00 0.29 H new ATOM 0 HG2 GLU A 34 23.480 -3.353 -4.796 1.00 1.60 H new ATOM 0 HG3 GLU A 34 22.157 -4.481 -5.013 1.00 1.60 H new ATOM 245 N ALA A 35 19.233 -0.719 -6.390 1.00 0.22 N ATOM 246 CA ALA A 35 17.966 0.011 -6.119 1.00 0.19 C ATOM 247 C ALA A 35 16.798 -0.591 -6.913 1.00 0.18 C ATOM 248 O ALA A 35 15.721 -0.824 -6.416 1.00 0.19 O ATOM 249 CB ALA A 35 18.175 1.466 -6.504 1.00 0.16 C ATOM 0 H ALA A 35 20.041 -0.133 -6.600 1.00 0.22 H new ATOM 0 HA ALA A 35 17.712 -0.072 -5.062 1.00 0.19 H new ATOM 0 HB1 ALA A 35 17.260 2.027 -6.316 1.00 0.16 H new ATOM 0 HB2 ALA A 35 18.987 1.886 -5.911 1.00 0.16 H new ATOM 0 HB3 ALA A 35 18.428 1.530 -7.562 1.00 0.16 H new ATOM 255 N LYS A 36 17.071 -0.837 -8.151 1.00 0.20 N ATOM 256 CA LYS A 36 16.043 -1.421 -9.058 1.00 0.24 C ATOM 257 C LYS A 36 15.657 -2.770 -8.509 1.00 0.29 C ATOM 258 O LYS A 36 14.497 -3.024 -8.276 1.00 0.29 O ATOM 259 CB LYS A 36 16.638 -1.567 -10.429 1.00 0.24 C ATOM 260 CG LYS A 36 16.961 -0.185 -11.000 1.00 0.38 C ATOM 261 CD LYS A 36 17.149 -0.492 -12.460 1.00 0.29 C ATOM 262 CE LYS A 36 17.760 0.632 -13.216 1.00 0.27 C ATOM 263 NZ LYS A 36 18.354 0.002 -14.423 1.00 0.51 N ATOM 0 H LYS A 36 17.975 -0.658 -8.588 1.00 0.20 H new ATOM 0 HA LYS A 36 15.162 -0.783 -9.122 1.00 0.24 H new ATOM 0 HB2 LYS A 36 17.543 -2.172 -10.381 1.00 0.24 H new ATOM 0 HB3 LYS A 36 15.941 -2.088 -11.085 1.00 0.24 H new ATOM 0 HG2 LYS A 36 16.152 0.526 -10.833 1.00 0.38 H new ATOM 0 HG3 LYS A 36 17.859 0.243 -10.553 1.00 0.38 H new ATOM 0 HD2 LYS A 36 17.779 -1.376 -12.562 1.00 0.29 H new ATOM 0 HD3 LYS A 36 16.183 -0.737 -12.901 1.00 0.29 H new ATOM 0 HE2 LYS A 36 17.013 1.378 -13.487 1.00 0.27 H new ATOM 0 HE3 LYS A 36 18.519 1.141 -12.622 1.00 0.27 H new ATOM 0 HZ1 LYS A 36 19.366 0.236 -14.474 1.00 0.51 H new ATOM 0 HZ2 LYS A 36 18.239 -1.030 -14.368 1.00 0.51 H new ATOM 0 HZ3 LYS A 36 17.873 0.359 -15.273 1.00 0.51 H new ATOM 277 N LYS A 37 16.629 -3.604 -8.299 1.00 0.35 N ATOM 278 CA LYS A 37 16.357 -4.943 -7.763 1.00 0.44 C ATOM 279 C LYS A 37 15.469 -4.794 -6.530 1.00 0.41 C ATOM 280 O LYS A 37 14.527 -5.530 -6.359 1.00 0.43 O ATOM 281 CB LYS A 37 17.722 -5.559 -7.464 1.00 0.53 C ATOM 282 CG LYS A 37 18.168 -5.501 -6.005 1.00 0.79 C ATOM 283 CD LYS A 37 18.683 -6.884 -5.608 1.00 1.01 C ATOM 284 CE LYS A 37 19.863 -7.401 -6.446 1.00 0.73 C ATOM 285 NZ LYS A 37 20.862 -6.306 -6.471 1.00 1.97 N ATOM 0 H LYS A 37 17.613 -3.404 -8.481 1.00 0.35 H new ATOM 0 HA LYS A 37 15.821 -5.597 -8.451 1.00 0.44 H new ATOM 0 HB2 LYS A 37 17.706 -6.602 -7.779 1.00 0.53 H new ATOM 0 HB3 LYS A 37 18.470 -5.053 -8.074 1.00 0.53 H new ATOM 0 HG2 LYS A 37 18.950 -4.753 -5.876 1.00 0.79 H new ATOM 0 HG3 LYS A 37 17.336 -5.207 -5.365 1.00 0.79 H new ATOM 0 HD2 LYS A 37 18.985 -6.856 -4.561 1.00 1.01 H new ATOM 0 HD3 LYS A 37 17.862 -7.597 -5.685 1.00 1.01 H new ATOM 0 HE2 LYS A 37 20.286 -8.304 -6.007 1.00 0.73 H new ATOM 0 HE3 LYS A 37 19.541 -7.658 -7.455 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 21.818 -6.706 -6.379 1.00 1.97 H new ATOM 0 HZ2 LYS A 37 20.788 -5.789 -7.371 1.00 1.97 H new ATOM 0 HZ3 LYS A 37 20.682 -5.654 -5.681 1.00 1.97 H new ATOM 299 N VAL A 38 15.806 -3.823 -5.719 1.00 0.38 N ATOM 300 CA VAL A 38 15.026 -3.564 -4.466 1.00 0.36 C ATOM 301 C VAL A 38 13.586 -3.194 -4.818 1.00 0.28 C ATOM 302 O VAL A 38 12.621 -3.768 -4.360 1.00 0.27 O ATOM 303 CB VAL A 38 15.718 -2.421 -3.692 1.00 0.33 C ATOM 304 CG1 VAL A 38 14.765 -1.899 -2.615 1.00 0.31 C ATOM 305 CG2 VAL A 38 17.018 -2.914 -3.015 1.00 0.38 C ATOM 0 H VAL A 38 16.594 -3.193 -5.871 1.00 0.38 H new ATOM 0 HA VAL A 38 14.997 -4.457 -3.842 1.00 0.36 H new ATOM 0 HB VAL A 38 15.972 -1.630 -4.398 1.00 0.33 H new ATOM 0 HG11 VAL A 38 15.246 -1.091 -2.064 1.00 0.31 H new ATOM 0 HG12 VAL A 38 13.855 -1.526 -3.084 1.00 0.31 H new ATOM 0 HG13 VAL A 38 14.514 -2.708 -1.928 1.00 0.31 H new ATOM 0 HG21 VAL A 38 17.484 -2.088 -2.477 1.00 0.38 H new ATOM 0 HG22 VAL A 38 16.782 -3.716 -2.315 1.00 0.38 H new ATOM 0 HG23 VAL A 38 17.705 -3.286 -3.775 1.00 0.38 H new ATOM 315 N ILE A 39 13.489 -2.207 -5.647 1.00 0.24 N ATOM 316 CA ILE A 39 12.175 -1.708 -6.111 1.00 0.18 C ATOM 317 C ILE A 39 11.396 -2.889 -6.648 1.00 0.21 C ATOM 318 O ILE A 39 10.213 -2.959 -6.419 1.00 0.20 O ATOM 319 CB ILE A 39 12.563 -0.627 -7.085 1.00 0.14 C ATOM 320 CG1 ILE A 39 12.995 0.515 -6.119 1.00 0.10 C ATOM 321 CG2 ILE A 39 11.346 -0.186 -7.905 1.00 0.11 C ATOM 322 CD1 ILE A 39 13.803 1.599 -6.754 1.00 0.09 C ATOM 0 H ILE A 39 14.290 -1.709 -6.035 1.00 0.24 H new ATOM 0 HA ILE A 39 11.498 -1.279 -5.372 1.00 0.18 H new ATOM 0 HB ILE A 39 13.325 -0.926 -7.805 1.00 0.14 H new ATOM 0 HG12 ILE A 39 12.101 0.957 -5.679 1.00 0.10 H new ATOM 0 HG13 ILE A 39 13.572 0.082 -5.302 1.00 0.10 H new ATOM 0 HG21 ILE A 39 11.642 0.596 -8.604 1.00 0.11 H new ATOM 0 HG22 ILE A 39 10.952 -1.038 -8.459 1.00 0.11 H new ATOM 0 HG23 ILE A 39 10.576 0.199 -7.236 1.00 0.11 H new ATOM 0 HD11 ILE A 39 14.058 2.349 -6.005 1.00 0.09 H new ATOM 0 HD12 ILE A 39 14.718 1.176 -7.169 1.00 0.09 H new ATOM 0 HD13 ILE A 39 13.224 2.064 -7.552 1.00 0.09 H new ATOM 334 N LEU A 40 12.055 -3.776 -7.339 1.00 0.24 N ATOM 335 CA LEU A 40 11.337 -4.972 -7.872 1.00 0.29 C ATOM 336 C LEU A 40 10.979 -5.843 -6.648 1.00 0.32 C ATOM 337 O LEU A 40 9.861 -6.294 -6.564 1.00 0.29 O ATOM 338 CB LEU A 40 12.245 -5.788 -8.840 1.00 0.34 C ATOM 339 CG LEU A 40 12.632 -4.985 -10.084 1.00 0.33 C ATOM 340 CD1 LEU A 40 13.435 -5.901 -11.018 1.00 0.38 C ATOM 341 CD2 LEU A 40 11.395 -4.489 -10.826 1.00 0.36 C ATOM 0 H LEU A 40 13.050 -3.728 -7.558 1.00 0.24 H new ATOM 0 HA LEU A 40 10.454 -4.667 -8.433 1.00 0.29 H new ATOM 0 HB2 LEU A 40 13.148 -6.098 -8.314 1.00 0.34 H new ATOM 0 HB3 LEU A 40 11.725 -6.697 -9.143 1.00 0.34 H new ATOM 0 HG LEU A 40 13.220 -4.120 -9.777 1.00 0.33 H new ATOM 0 HD11 LEU A 40 13.721 -5.348 -11.912 1.00 0.38 H new ATOM 0 HD12 LEU A 40 14.331 -6.249 -10.504 1.00 0.38 H new ATOM 0 HD13 LEU A 40 12.824 -6.758 -11.302 1.00 0.38 H new ATOM 0 HD21 LEU A 40 11.701 -3.922 -11.705 1.00 0.36 H new ATOM 0 HD22 LEU A 40 10.791 -5.341 -11.136 1.00 0.36 H new ATOM 0 HD23 LEU A 40 10.808 -3.849 -10.167 1.00 0.36 H new ATOM 353 N GLN A 41 11.905 -6.060 -5.740 1.00 0.39 N ATOM 354 CA GLN A 41 11.649 -6.893 -4.514 1.00 0.46 C ATOM 355 C GLN A 41 10.321 -6.457 -3.875 1.00 0.44 C ATOM 356 O GLN A 41 9.509 -7.269 -3.479 1.00 0.50 O ATOM 357 CB GLN A 41 12.825 -6.716 -3.488 1.00 0.48 C ATOM 358 CG GLN A 41 14.123 -7.461 -3.949 1.00 1.47 C ATOM 359 CD GLN A 41 15.356 -7.198 -3.055 1.00 1.40 C ATOM 360 OE1 GLN A 41 16.481 -7.489 -3.405 1.00 1.83 O ATOM 361 NE2 GLN A 41 15.250 -6.655 -1.886 1.00 0.97 N ATOM 0 H GLN A 41 12.852 -5.685 -5.798 1.00 0.39 H new ATOM 0 HA GLN A 41 11.588 -7.944 -4.795 1.00 0.46 H new ATOM 0 HB2 GLN A 41 13.041 -5.655 -3.364 1.00 0.48 H new ATOM 0 HB3 GLN A 41 12.516 -7.095 -2.514 1.00 0.48 H new ATOM 0 HG2 GLN A 41 13.925 -8.533 -3.970 1.00 1.47 H new ATOM 0 HG3 GLN A 41 14.358 -7.160 -4.970 1.00 1.47 H new ATOM 0 HE21 GLN A 41 14.333 -6.386 -1.530 1.00 0.97 H new ATOM 0 HE22 GLN A 41 16.084 -6.496 -1.320 1.00 0.97 H new ATOM 370 N ASP A 42 10.146 -5.172 -3.812 1.00 0.38 N ATOM 371 CA ASP A 42 8.908 -4.607 -3.225 1.00 0.41 C ATOM 372 C ASP A 42 7.758 -4.544 -4.229 1.00 0.35 C ATOM 373 O ASP A 42 6.616 -4.836 -3.933 1.00 0.31 O ATOM 374 CB ASP A 42 9.298 -3.222 -2.697 1.00 0.42 C ATOM 375 CG ASP A 42 9.549 -3.388 -1.206 1.00 0.80 C ATOM 376 OD1 ASP A 42 8.556 -3.473 -0.521 1.00 2.11 O ATOM 377 OD2 ASP A 42 10.693 -3.432 -0.812 1.00 1.10 O ATOM 0 H ASP A 42 10.817 -4.481 -4.147 1.00 0.38 H new ATOM 0 HA ASP A 42 8.528 -5.243 -2.426 1.00 0.41 H new ATOM 0 HB2 ASP A 42 10.189 -2.850 -3.202 1.00 0.42 H new ATOM 0 HB3 ASP A 42 8.503 -2.499 -2.879 1.00 0.42 H new ATOM 382 N LYS A 43 8.099 -4.160 -5.413 1.00 0.34 N ATOM 383 CA LYS A 43 7.120 -4.030 -6.512 1.00 0.25 C ATOM 384 C LYS A 43 7.638 -4.762 -7.777 1.00 0.25 C ATOM 385 O LYS A 43 8.135 -4.145 -8.697 1.00 0.21 O ATOM 386 CB LYS A 43 6.966 -2.521 -6.615 1.00 0.19 C ATOM 387 CG LYS A 43 5.896 -2.156 -7.629 1.00 0.11 C ATOM 388 CD LYS A 43 5.695 -0.634 -7.503 1.00 0.23 C ATOM 389 CE LYS A 43 5.122 -0.084 -8.736 1.00 0.29 C ATOM 390 NZ LYS A 43 6.183 0.156 -9.700 1.00 1.95 N ATOM 0 H LYS A 43 9.055 -3.921 -5.676 1.00 0.34 H new ATOM 0 HA LYS A 43 6.148 -4.499 -6.360 1.00 0.25 H new ATOM 0 HB2 LYS A 43 6.704 -2.110 -5.640 1.00 0.19 H new ATOM 0 HB3 LYS A 43 7.916 -2.073 -6.905 1.00 0.19 H new ATOM 0 HG2 LYS A 43 6.206 -2.427 -8.638 1.00 0.11 H new ATOM 0 HG3 LYS A 43 4.968 -2.690 -7.427 1.00 0.11 H new ATOM 0 HD2 LYS A 43 5.037 -0.417 -6.662 1.00 0.23 H new ATOM 0 HD3 LYS A 43 6.650 -0.152 -7.293 1.00 0.23 H new ATOM 0 HE2 LYS A 43 4.390 -0.778 -9.150 1.00 0.29 H new ATOM 0 HE3 LYS A 43 4.594 0.845 -8.521 1.00 0.29 H new ATOM 0 HZ1 LYS A 43 6.330 1.180 -9.807 1.00 1.95 H new ATOM 0 HZ2 LYS A 43 7.063 -0.287 -9.365 1.00 1.95 H new ATOM 0 HZ3 LYS A 43 5.917 -0.254 -10.618 1.00 1.95 H new ATOM 404 N PRO A 44 7.511 -6.071 -7.790 1.00 0.32 N ATOM 405 CA PRO A 44 8.021 -6.934 -8.899 1.00 0.38 C ATOM 406 C PRO A 44 7.634 -6.430 -10.294 1.00 0.36 C ATOM 407 O PRO A 44 8.405 -6.498 -11.228 1.00 0.44 O ATOM 408 CB PRO A 44 7.458 -8.316 -8.543 1.00 0.44 C ATOM 409 CG PRO A 44 7.469 -8.270 -7.001 1.00 0.47 C ATOM 410 CD PRO A 44 6.862 -6.893 -6.726 1.00 0.37 C ATOM 0 HA PRO A 44 9.109 -6.940 -8.971 1.00 0.38 H new ATOM 0 HB2 PRO A 44 6.454 -8.464 -8.941 1.00 0.44 H new ATOM 0 HB3 PRO A 44 8.078 -9.123 -8.933 1.00 0.44 H new ATOM 0 HG2 PRO A 44 6.876 -9.073 -6.564 1.00 0.47 H new ATOM 0 HG3 PRO A 44 8.477 -8.361 -6.596 1.00 0.47 H new ATOM 0 HD2 PRO A 44 5.776 -6.897 -6.815 1.00 0.37 H new ATOM 0 HD3 PRO A 44 7.099 -6.532 -5.725 1.00 0.37 H new ATOM 418 N GLU A 45 6.440 -5.929 -10.355 1.00 0.27 N ATOM 419 CA GLU A 45 5.829 -5.380 -11.600 1.00 0.30 C ATOM 420 C GLU A 45 6.237 -3.923 -11.832 1.00 0.30 C ATOM 421 O GLU A 45 5.725 -3.247 -12.705 1.00 0.53 O ATOM 422 CB GLU A 45 4.297 -5.473 -11.462 1.00 0.30 C ATOM 423 CG GLU A 45 3.816 -6.930 -11.165 1.00 1.15 C ATOM 424 CD GLU A 45 3.984 -7.410 -9.704 1.00 1.79 C ATOM 425 OE1 GLU A 45 4.361 -6.620 -8.846 1.00 1.94 O ATOM 426 OE2 GLU A 45 3.703 -8.586 -9.554 1.00 2.57 O ATOM 0 H GLU A 45 5.823 -5.873 -9.545 1.00 0.27 H new ATOM 0 HA GLU A 45 6.181 -5.959 -12.454 1.00 0.30 H new ATOM 0 HB2 GLU A 45 3.966 -4.813 -10.660 1.00 0.30 H new ATOM 0 HB3 GLU A 45 3.829 -5.118 -12.381 1.00 0.30 H new ATOM 0 HG2 GLU A 45 2.762 -7.006 -11.434 1.00 1.15 H new ATOM 0 HG3 GLU A 45 4.362 -7.612 -11.817 1.00 1.15 H new ATOM 433 N ALA A 46 7.151 -3.452 -11.044 1.00 0.13 N ATOM 434 CA ALA A 46 7.588 -2.069 -11.210 1.00 0.16 C ATOM 435 C ALA A 46 8.334 -1.814 -12.518 1.00 0.23 C ATOM 436 O ALA A 46 9.341 -2.419 -12.844 1.00 0.24 O ATOM 437 CB ALA A 46 8.521 -1.663 -10.044 1.00 0.07 C ATOM 0 H ALA A 46 7.608 -3.972 -10.295 1.00 0.13 H new ATOM 0 HA ALA A 46 6.676 -1.472 -11.222 1.00 0.16 H new ATOM 0 HB1 ALA A 46 8.841 -0.630 -10.177 1.00 0.07 H new ATOM 0 HB2 ALA A 46 7.985 -1.758 -9.099 1.00 0.07 H new ATOM 0 HB3 ALA A 46 9.394 -2.315 -10.033 1.00 0.07 H new ATOM 443 N GLN A 47 7.785 -0.877 -13.224 1.00 0.29 N ATOM 444 CA GLN A 47 8.351 -0.450 -14.523 1.00 0.37 C ATOM 445 C GLN A 47 9.286 0.658 -13.978 1.00 0.31 C ATOM 446 O GLN A 47 8.967 1.829 -13.918 1.00 0.31 O ATOM 447 CB GLN A 47 7.188 0.070 -15.392 1.00 0.46 C ATOM 448 CG GLN A 47 6.128 -1.077 -15.642 1.00 1.37 C ATOM 449 CD GLN A 47 4.983 -0.613 -16.545 1.00 1.96 C ATOM 450 OE1 GLN A 47 4.986 0.585 -17.032 1.00 2.95 O flip ATOM 451 NE2 GLN A 47 4.051 -1.327 -16.841 1.00 1.77 N flip ATOM 0 H GLN A 47 6.942 -0.374 -12.946 1.00 0.29 H new ATOM 0 HA GLN A 47 8.858 -1.177 -15.157 1.00 0.37 H new ATOM 0 HB2 GLN A 47 6.708 0.916 -14.900 1.00 0.46 H new ATOM 0 HB3 GLN A 47 7.572 0.432 -16.345 1.00 0.46 H new ATOM 0 HG2 GLN A 47 6.623 -1.935 -16.096 1.00 1.37 H new ATOM 0 HG3 GLN A 47 5.724 -1.411 -14.687 1.00 1.37 H new ATOM 0 HE21 GLN A 47 4.005 -2.280 -16.481 1.00 1.77 H new ATOM 0 HE22 GLN A 47 3.312 -0.975 -17.450 1.00 1.77 H new ATOM 460 N ILE A 48 10.438 0.231 -13.555 1.00 0.31 N ATOM 461 CA ILE A 48 11.454 1.176 -12.988 1.00 0.33 C ATOM 462 C ILE A 48 12.042 2.040 -14.117 1.00 0.44 C ATOM 463 O ILE A 48 12.534 1.573 -15.123 1.00 0.76 O ATOM 464 CB ILE A 48 12.557 0.334 -12.269 1.00 0.28 C ATOM 465 CG1 ILE A 48 11.820 -0.754 -11.402 1.00 0.27 C ATOM 466 CG2 ILE A 48 13.340 1.256 -11.294 1.00 0.28 C ATOM 467 CD1 ILE A 48 12.743 -1.483 -10.434 1.00 0.19 C ATOM 0 H ILE A 48 10.730 -0.746 -13.575 1.00 0.31 H new ATOM 0 HA ILE A 48 10.998 1.851 -12.264 1.00 0.33 H new ATOM 0 HB ILE A 48 13.235 -0.113 -12.996 1.00 0.28 H new ATOM 0 HG12 ILE A 48 11.018 -0.277 -10.838 1.00 0.27 H new ATOM 0 HG13 ILE A 48 11.354 -1.482 -12.066 1.00 0.27 H new ATOM 0 HG21 ILE A 48 14.112 0.677 -10.787 1.00 0.28 H new ATOM 0 HG22 ILE A 48 13.804 2.068 -11.854 1.00 0.28 H new ATOM 0 HG23 ILE A 48 12.654 1.671 -10.555 1.00 0.28 H new ATOM 0 HD11 ILE A 48 12.170 -2.218 -9.869 1.00 0.19 H new ATOM 0 HD12 ILE A 48 13.530 -1.989 -10.993 1.00 0.19 H new ATOM 0 HD13 ILE A 48 13.190 -0.765 -9.747 1.00 0.19 H new ATOM 479 N ILE A 49 11.964 3.311 -13.882 1.00 0.24 N ATOM 480 CA ILE A 49 12.455 4.367 -14.826 1.00 0.22 C ATOM 481 C ILE A 49 13.605 5.160 -14.202 1.00 0.19 C ATOM 482 O ILE A 49 13.670 5.205 -12.996 1.00 0.16 O ATOM 483 CB ILE A 49 11.237 5.206 -15.118 1.00 0.24 C ATOM 484 CG1 ILE A 49 10.352 4.301 -16.028 1.00 0.25 C ATOM 485 CG2 ILE A 49 11.623 6.608 -15.658 1.00 0.26 C ATOM 486 CD1 ILE A 49 9.429 5.102 -16.874 1.00 0.30 C ATOM 0 H ILE A 49 11.558 3.691 -13.027 1.00 0.24 H new ATOM 0 HA ILE A 49 12.874 3.963 -15.747 1.00 0.22 H new ATOM 0 HB ILE A 49 10.655 5.484 -14.239 1.00 0.24 H new ATOM 0 HG12 ILE A 49 10.992 3.691 -16.665 1.00 0.25 H new ATOM 0 HG13 ILE A 49 9.774 3.616 -15.407 1.00 0.25 H new ATOM 0 HG21 ILE A 49 10.719 7.183 -15.857 1.00 0.26 H new ATOM 0 HG22 ILE A 49 12.229 7.129 -14.917 1.00 0.26 H new ATOM 0 HG23 ILE A 49 12.193 6.498 -16.581 1.00 0.26 H new ATOM 0 HD11 ILE A 49 8.830 4.434 -17.493 1.00 0.30 H new ATOM 0 HD12 ILE A 49 8.771 5.693 -16.236 1.00 0.30 H new ATOM 0 HD13 ILE A 49 10.008 5.768 -17.514 1.00 0.30 H new ATOM 498 N VAL A 50 14.473 5.775 -14.970 1.00 0.23 N ATOM 499 CA VAL A 50 15.614 6.561 -14.407 1.00 0.21 C ATOM 500 C VAL A 50 15.743 8.039 -14.874 1.00 0.19 C ATOM 501 O VAL A 50 15.726 8.309 -16.059 1.00 0.24 O ATOM 502 CB VAL A 50 16.941 5.831 -14.749 1.00 0.24 C ATOM 503 CG1 VAL A 50 18.114 6.481 -13.998 1.00 0.25 C ATOM 504 CG2 VAL A 50 16.890 4.355 -14.323 1.00 0.22 C ATOM 0 H VAL A 50 14.436 5.763 -15.989 1.00 0.23 H new ATOM 0 HA VAL A 50 15.406 6.615 -13.338 1.00 0.21 H new ATOM 0 HB VAL A 50 17.077 5.905 -15.828 1.00 0.24 H new ATOM 0 HG11 VAL A 50 19.039 5.960 -14.246 1.00 0.25 H new ATOM 0 HG12 VAL A 50 18.198 7.528 -14.290 1.00 0.25 H new ATOM 0 HG13 VAL A 50 17.939 6.417 -12.924 1.00 0.25 H new ATOM 0 HG21 VAL A 50 17.833 3.871 -14.576 1.00 0.22 H new ATOM 0 HG22 VAL A 50 16.727 4.292 -13.247 1.00 0.22 H new ATOM 0 HG23 VAL A 50 16.074 3.854 -14.844 1.00 0.22 H new ATOM 514 N LEU A 51 15.856 8.939 -13.926 1.00 0.21 N ATOM 515 CA LEU A 51 16.006 10.418 -14.160 1.00 0.21 C ATOM 516 C LEU A 51 17.105 10.945 -13.172 1.00 0.24 C ATOM 517 O LEU A 51 17.848 10.160 -12.614 1.00 0.17 O ATOM 518 CB LEU A 51 14.638 11.108 -13.877 1.00 0.21 C ATOM 519 CG LEU A 51 14.422 11.301 -12.333 1.00 0.30 C ATOM 520 CD1 LEU A 51 14.088 12.767 -12.064 1.00 0.44 C ATOM 521 CD2 LEU A 51 13.318 10.459 -11.744 1.00 0.58 C ATOM 0 H LEU A 51 15.850 8.692 -12.936 1.00 0.21 H new ATOM 0 HA LEU A 51 16.300 10.635 -15.187 1.00 0.21 H new ATOM 0 HB2 LEU A 51 14.603 12.075 -14.378 1.00 0.21 H new ATOM 0 HB3 LEU A 51 13.829 10.506 -14.290 1.00 0.21 H new ATOM 0 HG LEU A 51 15.350 10.983 -11.858 1.00 0.30 H new ATOM 0 HD11 LEU A 51 13.935 12.915 -10.995 1.00 0.44 H new ATOM 0 HD12 LEU A 51 14.911 13.396 -12.404 1.00 0.44 H new ATOM 0 HD13 LEU A 51 13.179 13.038 -12.601 1.00 0.44 H new ATOM 0 HD21 LEU A 51 13.240 10.657 -10.675 1.00 0.58 H new ATOM 0 HD22 LEU A 51 12.374 10.707 -12.229 1.00 0.58 H new ATOM 0 HD23 LEU A 51 13.541 9.404 -11.902 1.00 0.58 H new ATOM 533 N GLU A 52 17.124 12.245 -12.998 1.00 0.40 N ATOM 534 CA GLU A 52 18.080 12.991 -12.092 1.00 0.53 C ATOM 535 C GLU A 52 17.444 13.093 -10.680 1.00 0.47 C ATOM 536 O GLU A 52 16.731 12.224 -10.238 1.00 0.42 O ATOM 537 CB GLU A 52 18.292 14.391 -12.722 1.00 0.81 C ATOM 538 CG GLU A 52 18.954 14.277 -14.125 1.00 0.76 C ATOM 539 CD GLU A 52 20.484 14.198 -14.029 1.00 1.23 C ATOM 540 OE1 GLU A 52 21.052 13.634 -13.102 1.00 2.68 O ATOM 541 OE2 GLU A 52 21.076 14.742 -14.945 1.00 1.55 O ATOM 0 H GLU A 52 16.472 12.865 -13.479 1.00 0.40 H new ATOM 0 HA GLU A 52 19.040 12.485 -11.991 1.00 0.53 H new ATOM 0 HB2 GLU A 52 17.334 14.903 -12.809 1.00 0.81 H new ATOM 0 HB3 GLU A 52 18.919 14.997 -12.068 1.00 0.81 H new ATOM 0 HG2 GLU A 52 18.576 13.391 -14.634 1.00 0.76 H new ATOM 0 HG3 GLU A 52 18.672 15.138 -14.731 1.00 0.76 H new ATOM 548 N LYS A 53 17.744 14.154 -10.001 1.00 0.64 N ATOM 549 CA LYS A 53 17.222 14.441 -8.635 1.00 0.67 C ATOM 550 C LYS A 53 15.688 14.571 -8.753 1.00 0.71 C ATOM 551 O LYS A 53 15.121 14.243 -9.769 1.00 0.54 O ATOM 552 CB LYS A 53 17.856 15.761 -8.157 1.00 0.95 C ATOM 553 CG LYS A 53 18.425 15.625 -6.733 1.00 1.64 C ATOM 554 CD LYS A 53 19.738 14.801 -6.827 1.00 2.45 C ATOM 555 CE LYS A 53 20.527 14.992 -5.553 1.00 3.19 C ATOM 556 NZ LYS A 53 21.898 14.447 -5.792 1.00 3.93 N ATOM 0 H LYS A 53 18.367 14.879 -10.356 1.00 0.64 H new ATOM 0 HA LYS A 53 17.465 13.656 -7.919 1.00 0.67 H new ATOM 0 HB2 LYS A 53 18.651 16.054 -8.842 1.00 0.95 H new ATOM 0 HB3 LYS A 53 17.109 16.554 -8.178 1.00 0.95 H new ATOM 0 HG2 LYS A 53 18.620 16.608 -6.303 1.00 1.64 H new ATOM 0 HG3 LYS A 53 17.707 15.128 -6.080 1.00 1.64 H new ATOM 0 HD2 LYS A 53 19.511 13.745 -6.975 1.00 2.45 H new ATOM 0 HD3 LYS A 53 20.325 15.124 -7.686 1.00 2.45 H new ATOM 0 HE2 LYS A 53 20.575 16.048 -5.285 1.00 3.19 H new ATOM 0 HE3 LYS A 53 20.047 14.474 -4.723 1.00 3.19 H new ATOM 0 HZ1 LYS A 53 22.121 13.738 -5.065 1.00 3.93 H new ATOM 0 HZ2 LYS A 53 21.936 14.003 -6.732 1.00 3.93 H new ATOM 0 HZ3 LYS A 53 22.592 15.220 -5.746 1.00 3.93 H new ATOM 570 N GLN A 54 15.003 15.034 -7.751 1.00 1.08 N ATOM 571 CA GLN A 54 13.500 15.168 -7.882 1.00 1.24 C ATOM 572 C GLN A 54 13.170 16.462 -8.704 1.00 1.20 C ATOM 573 O GLN A 54 12.347 17.271 -8.335 1.00 1.68 O ATOM 574 CB GLN A 54 12.899 15.247 -6.458 1.00 1.88 C ATOM 575 CG GLN A 54 13.371 14.049 -5.596 1.00 2.99 C ATOM 576 CD GLN A 54 12.532 12.770 -5.707 1.00 4.60 C ATOM 577 OE1 GLN A 54 11.982 12.400 -6.726 1.00 5.37 O ATOM 578 NE2 GLN A 54 12.451 12.068 -4.616 1.00 5.63 N ATOM 0 H GLN A 54 15.395 15.325 -6.855 1.00 1.08 H new ATOM 0 HA GLN A 54 13.073 14.313 -8.406 1.00 1.24 H new ATOM 0 HB2 GLN A 54 13.197 16.182 -5.984 1.00 1.88 H new ATOM 0 HB3 GLN A 54 11.811 15.252 -6.517 1.00 1.88 H new ATOM 0 HG2 GLN A 54 14.398 13.811 -5.871 1.00 2.99 H new ATOM 0 HG3 GLN A 54 13.385 14.361 -4.552 1.00 2.99 H new ATOM 0 HE21 GLN A 54 12.917 12.389 -3.767 1.00 5.63 H new ATOM 0 HE22 GLN A 54 11.922 11.196 -4.609 1.00 5.63 H new ATOM 587 N ALA A 55 13.877 16.563 -9.796 1.00 0.89 N ATOM 588 CA ALA A 55 13.845 17.636 -10.824 1.00 1.10 C ATOM 589 C ALA A 55 13.192 16.950 -12.041 1.00 0.70 C ATOM 590 O ALA A 55 13.903 16.248 -12.741 1.00 1.30 O ATOM 591 CB ALA A 55 15.305 18.027 -11.084 1.00 1.92 C ATOM 0 H ALA A 55 14.560 15.845 -10.036 1.00 0.89 H new ATOM 0 HA ALA A 55 13.299 18.541 -10.559 1.00 1.10 H new ATOM 0 HB1 ALA A 55 15.342 18.816 -11.835 1.00 1.92 H new ATOM 0 HB2 ALA A 55 15.756 18.385 -10.159 1.00 1.92 H new ATOM 0 HB3 ALA A 55 15.856 17.158 -11.443 1.00 1.92 H new ATOM 597 N VAL A 56 11.917 17.106 -12.304 1.00 0.54 N ATOM 598 CA VAL A 56 11.372 16.390 -13.508 1.00 1.11 C ATOM 599 C VAL A 56 10.788 17.258 -14.628 1.00 2.07 C ATOM 600 O VAL A 56 9.715 17.811 -14.502 1.00 2.14 O ATOM 601 CB VAL A 56 10.286 15.406 -13.063 1.00 0.59 C ATOM 602 CG1 VAL A 56 10.037 14.473 -14.271 1.00 2.01 C ATOM 603 CG2 VAL A 56 10.727 14.573 -11.847 1.00 1.56 C ATOM 0 H VAL A 56 11.255 17.668 -11.769 1.00 0.54 H new ATOM 0 HA VAL A 56 12.248 15.908 -13.942 1.00 1.11 H new ATOM 0 HB VAL A 56 9.389 15.946 -12.761 1.00 0.59 H new ATOM 0 HG11 VAL A 56 9.268 13.744 -14.015 1.00 2.01 H new ATOM 0 HG12 VAL A 56 9.707 15.064 -15.125 1.00 2.01 H new ATOM 0 HG13 VAL A 56 10.960 13.952 -14.525 1.00 2.01 H new ATOM 0 HG21 VAL A 56 9.927 13.889 -11.565 1.00 1.56 H new ATOM 0 HG22 VAL A 56 11.620 14.002 -12.102 1.00 1.56 H new ATOM 0 HG23 VAL A 56 10.947 15.237 -11.011 1.00 1.56 H new ATOM 613 N ASP A 57 11.528 17.325 -15.698 1.00 3.07 N ATOM 614 CA ASP A 57 11.123 18.130 -16.922 1.00 4.09 C ATOM 615 C ASP A 57 10.846 17.194 -18.125 1.00 4.74 C ATOM 616 O ASP A 57 10.710 17.532 -19.283 1.00 5.62 O ATOM 617 CB ASP A 57 12.290 19.088 -17.200 1.00 4.65 C ATOM 618 CG ASP A 57 12.734 19.693 -15.883 1.00 3.93 C ATOM 619 OD1 ASP A 57 13.555 19.018 -15.284 1.00 3.88 O ATOM 620 OD2 ASP A 57 12.222 20.752 -15.576 1.00 3.96 O ATOM 0 H ASP A 57 12.424 16.848 -15.793 1.00 3.07 H new ATOM 0 HA ASP A 57 10.200 18.685 -16.756 1.00 4.09 H new ATOM 0 HB2 ASP A 57 13.116 18.554 -17.670 1.00 4.65 H new ATOM 0 HB3 ASP A 57 11.982 19.871 -17.893 1.00 4.65 H new ATOM 625 N ASN A 58 10.772 15.979 -17.708 1.00 4.54 N ATOM 626 CA ASN A 58 10.527 14.794 -18.566 1.00 5.31 C ATOM 627 C ASN A 58 9.513 13.855 -17.865 1.00 4.53 C ATOM 628 O ASN A 58 9.715 12.663 -17.717 1.00 5.50 O ATOM 629 CB ASN A 58 11.957 14.189 -18.806 1.00 6.84 C ATOM 630 CG ASN A 58 12.753 14.163 -17.499 1.00 6.80 C ATOM 631 OD1 ASN A 58 12.441 13.450 -16.572 1.00 6.84 O ATOM 632 ND2 ASN A 58 13.790 14.921 -17.345 1.00 6.91 N ATOM 0 H ASN A 58 10.880 15.736 -16.723 1.00 4.54 H new ATOM 0 HA ASN A 58 10.065 15.005 -19.530 1.00 5.31 H new ATOM 0 HB2 ASN A 58 11.869 13.179 -19.205 1.00 6.84 H new ATOM 0 HB3 ASN A 58 12.489 14.781 -19.551 1.00 6.84 H new ATOM 0 HD21 ASN A 58 14.310 14.902 -16.468 1.00 6.91 H new ATOM 0 HD22 ASN A 58 14.088 15.537 -18.101 1.00 6.91 H new ATOM 639 N ALA A 59 8.429 14.456 -17.445 1.00 3.05 N ATOM 640 CA ALA A 59 7.327 13.710 -16.745 1.00 2.82 C ATOM 641 C ALA A 59 6.132 13.391 -17.673 1.00 1.99 C ATOM 642 O ALA A 59 5.985 13.905 -18.758 1.00 1.71 O ATOM 643 CB ALA A 59 6.813 14.556 -15.549 1.00 2.56 C ATOM 0 H ALA A 59 8.253 15.454 -17.558 1.00 3.05 H new ATOM 0 HA ALA A 59 7.748 12.762 -16.410 1.00 2.82 H new ATOM 0 HB1 ALA A 59 6.014 14.018 -15.039 1.00 2.56 H new ATOM 0 HB2 ALA A 59 7.632 14.736 -14.852 1.00 2.56 H new ATOM 0 HB3 ALA A 59 6.432 15.510 -15.915 1.00 2.56 H new ATOM 649 N TYR A 60 5.333 12.514 -17.161 1.00 1.84 N ATOM 650 CA TYR A 60 4.079 11.957 -17.739 1.00 1.56 C ATOM 651 C TYR A 60 2.832 12.519 -17.009 1.00 1.05 C ATOM 652 O TYR A 60 2.947 13.487 -16.287 1.00 0.64 O ATOM 653 CB TYR A 60 4.314 10.471 -17.568 1.00 2.30 C ATOM 654 CG TYR A 60 4.731 10.107 -16.119 1.00 2.05 C ATOM 655 CD1 TYR A 60 4.199 10.747 -15.015 1.00 2.66 C ATOM 656 CD2 TYR A 60 5.671 9.121 -15.908 1.00 2.13 C ATOM 657 CE1 TYR A 60 4.580 10.426 -13.745 1.00 3.18 C ATOM 658 CE2 TYR A 60 6.056 8.796 -14.620 1.00 2.18 C ATOM 659 CZ TYR A 60 5.508 9.452 -13.544 1.00 2.73 C ATOM 660 OH TYR A 60 5.897 9.122 -12.275 1.00 3.39 O ATOM 0 H TYR A 60 5.528 12.110 -16.245 1.00 1.84 H new ATOM 0 HA TYR A 60 3.873 12.218 -18.777 1.00 1.56 H new ATOM 0 HB2 TYR A 60 3.406 9.929 -17.830 1.00 2.30 H new ATOM 0 HB3 TYR A 60 5.090 10.146 -18.260 1.00 2.30 H new ATOM 0 HD1 TYR A 60 3.462 11.522 -15.162 1.00 2.66 H new ATOM 0 HD2 TYR A 60 6.107 8.602 -16.749 1.00 2.13 H new ATOM 0 HE1 TYR A 60 4.146 10.943 -12.902 1.00 3.18 H new ATOM 0 HE2 TYR A 60 6.792 8.022 -14.459 1.00 2.18 H new ATOM 0 HH TYR A 60 5.172 9.324 -11.648 1.00 3.39 H new ATOM 670 N ALA A 61 1.697 11.910 -17.207 1.00 1.55 N ATOM 671 CA ALA A 61 0.458 12.395 -16.513 1.00 1.83 C ATOM 672 C ALA A 61 0.599 11.940 -15.026 1.00 1.39 C ATOM 673 O ALA A 61 1.480 11.157 -14.751 1.00 0.72 O ATOM 674 CB ALA A 61 -0.718 11.736 -17.222 1.00 2.82 C ATOM 0 H ALA A 61 1.567 11.101 -17.815 1.00 1.55 H new ATOM 0 HA ALA A 61 0.310 13.475 -16.538 1.00 1.83 H new ATOM 0 HB1 ALA A 61 -1.650 12.056 -16.755 1.00 2.82 H new ATOM 0 HB2 ALA A 61 -0.720 12.028 -18.272 1.00 2.82 H new ATOM 0 HB3 ALA A 61 -0.627 10.652 -17.147 1.00 2.82 H new ATOM 680 N GLU A 62 -0.247 12.359 -14.130 1.00 2.24 N ATOM 681 CA GLU A 62 -0.131 11.956 -12.674 1.00 2.30 C ATOM 682 C GLU A 62 0.272 10.511 -12.183 1.00 1.83 C ATOM 683 O GLU A 62 0.960 9.737 -12.810 1.00 1.59 O ATOM 684 CB GLU A 62 -1.507 12.437 -12.068 1.00 3.50 C ATOM 685 CG GLU A 62 -2.758 12.004 -12.897 1.00 3.28 C ATOM 686 CD GLU A 62 -2.850 10.513 -13.153 1.00 3.13 C ATOM 687 OE1 GLU A 62 -2.687 9.749 -12.224 1.00 3.79 O ATOM 688 OE2 GLU A 62 -3.086 10.187 -14.304 1.00 2.69 O ATOM 0 H GLU A 62 -1.033 12.976 -14.335 1.00 2.24 H new ATOM 0 HA GLU A 62 0.792 12.415 -12.320 1.00 2.30 H new ATOM 0 HB2 GLU A 62 -1.602 12.044 -11.056 1.00 3.50 H new ATOM 0 HB3 GLU A 62 -1.496 13.524 -11.989 1.00 3.50 H new ATOM 0 HG2 GLU A 62 -3.657 12.327 -12.372 1.00 3.28 H new ATOM 0 HG3 GLU A 62 -2.743 12.525 -13.854 1.00 3.28 H new ATOM 695 N TYR A 63 -0.138 10.173 -11.008 1.00 1.78 N ATOM 696 CA TYR A 63 0.179 8.836 -10.407 1.00 1.39 C ATOM 697 C TYR A 63 0.004 7.492 -11.214 1.00 1.16 C ATOM 698 O TYR A 63 -1.100 7.042 -11.456 1.00 1.16 O ATOM 699 CB TYR A 63 -0.630 8.770 -9.109 1.00 1.35 C ATOM 700 CG TYR A 63 -0.270 7.437 -8.443 1.00 1.12 C ATOM 701 CD1 TYR A 63 0.956 7.252 -7.838 1.00 1.42 C ATOM 702 CD2 TYR A 63 -1.169 6.397 -8.479 1.00 1.38 C ATOM 703 CE1 TYR A 63 1.274 6.028 -7.278 1.00 1.24 C ATOM 704 CE2 TYR A 63 -0.853 5.181 -7.920 1.00 1.30 C ATOM 705 CZ TYR A 63 0.370 4.998 -7.316 1.00 0.74 C ATOM 706 OH TYR A 63 0.689 3.794 -6.735 1.00 0.62 O ATOM 0 H TYR A 63 -0.699 10.778 -10.409 1.00 1.78 H new ATOM 0 HA TYR A 63 1.266 8.841 -10.325 1.00 1.39 H new ATOM 0 HB2 TYR A 63 -0.387 9.609 -8.456 1.00 1.35 H new ATOM 0 HB3 TYR A 63 -1.699 8.826 -9.314 1.00 1.35 H new ATOM 0 HD1 TYR A 63 1.668 8.063 -7.802 1.00 1.42 H new ATOM 0 HD2 TYR A 63 -2.131 6.536 -8.950 1.00 1.38 H new ATOM 0 HE1 TYR A 63 2.236 5.883 -6.810 1.00 1.24 H new ATOM 0 HE2 TYR A 63 -1.565 4.369 -7.955 1.00 1.30 H new ATOM 0 HH TYR A 63 -0.128 3.359 -6.414 1.00 0.62 H new ATOM 716 N ARG A 64 1.083 6.860 -11.611 1.00 0.98 N ATOM 717 CA ARG A 64 0.925 5.555 -12.374 1.00 0.83 C ATOM 718 C ARG A 64 1.465 4.369 -11.538 1.00 0.52 C ATOM 719 O ARG A 64 2.525 3.881 -11.846 1.00 0.32 O ATOM 720 CB ARG A 64 1.715 5.503 -13.753 1.00 0.86 C ATOM 721 CG ARG A 64 0.835 5.733 -15.037 1.00 0.74 C ATOM 722 CD ARG A 64 1.029 7.111 -15.536 1.00 2.03 C ATOM 723 NE ARG A 64 0.507 7.841 -14.378 1.00 3.52 N ATOM 724 CZ ARG A 64 -0.594 8.459 -14.403 1.00 4.54 C ATOM 725 NH1 ARG A 64 -0.645 9.524 -15.062 1.00 5.07 N ATOM 726 NH2 ARG A 64 -1.553 7.963 -13.761 1.00 5.15 N ATOM 0 H ARG A 64 2.042 7.169 -11.452 1.00 0.98 H new ATOM 0 HA ARG A 64 -0.145 5.488 -12.571 1.00 0.83 H new ATOM 0 HB2 ARG A 64 2.502 6.257 -13.731 1.00 0.86 H new ATOM 0 HB3 ARG A 64 2.205 4.533 -13.837 1.00 0.86 H new ATOM 0 HG2 ARG A 64 1.108 5.015 -15.810 1.00 0.74 H new ATOM 0 HG3 ARG A 64 -0.216 5.566 -14.803 1.00 0.74 H new ATOM 0 HD2 ARG A 64 2.074 7.341 -15.745 1.00 2.03 H new ATOM 0 HD3 ARG A 64 0.469 7.312 -16.450 1.00 2.03 H new ATOM 0 HE ARG A 64 1.055 7.850 -13.517 1.00 3.52 H new ATOM 0 HH11 ARG A 64 0.184 9.861 -15.552 1.00 5.07 H new ATOM 0 HH12 ARG A 64 -1.515 10.054 -15.108 1.00 5.07 H new ATOM 0 HH21 ARG A 64 -1.425 7.092 -13.245 1.00 5.15 H new ATOM 0 HH22 ARG A 64 -2.459 8.431 -13.755 1.00 5.15 H new ATOM 740 N ILE A 65 0.762 3.953 -10.519 1.00 0.66 N ATOM 741 CA ILE A 65 1.167 2.788 -9.616 1.00 0.39 C ATOM 742 C ILE A 65 2.149 1.685 -10.139 1.00 0.31 C ATOM 743 O ILE A 65 2.798 0.995 -9.382 1.00 0.35 O ATOM 744 CB ILE A 65 -0.144 2.129 -9.127 1.00 0.28 C ATOM 745 CG1 ILE A 65 0.073 0.918 -8.201 1.00 0.20 C ATOM 746 CG2 ILE A 65 -1.070 1.862 -10.302 1.00 0.24 C ATOM 747 CD1 ILE A 65 -1.220 0.720 -7.351 1.00 0.35 C ATOM 0 H ILE A 65 -0.122 4.383 -10.248 1.00 0.66 H new ATOM 0 HA ILE A 65 1.782 3.254 -8.846 1.00 0.39 H new ATOM 0 HB ILE A 65 -0.649 2.843 -8.477 1.00 0.28 H new ATOM 0 HG12 ILE A 65 0.284 0.024 -8.787 1.00 0.20 H new ATOM 0 HG13 ILE A 65 0.933 1.084 -7.552 1.00 0.20 H new ATOM 0 HG21 ILE A 65 -1.989 1.398 -9.943 1.00 0.24 H new ATOM 0 HG22 ILE A 65 -1.308 2.803 -10.798 1.00 0.24 H new ATOM 0 HG23 ILE A 65 -0.578 1.193 -11.008 1.00 0.24 H new ATOM 0 HD11 ILE A 65 -1.091 -0.134 -6.686 1.00 0.35 H new ATOM 0 HD12 ILE A 65 -1.407 1.616 -6.759 1.00 0.35 H new ATOM 0 HD13 ILE A 65 -2.067 0.539 -8.013 1.00 0.35 H new ATOM 759 N ASP A 66 2.225 1.546 -11.420 1.00 0.34 N ATOM 760 CA ASP A 66 3.099 0.564 -12.124 1.00 0.35 C ATOM 761 C ASP A 66 4.578 1.084 -12.244 1.00 0.40 C ATOM 762 O ASP A 66 5.504 0.293 -12.188 1.00 0.42 O ATOM 763 CB ASP A 66 2.444 0.348 -13.491 1.00 0.51 C ATOM 764 CG ASP A 66 2.189 1.729 -14.102 1.00 1.15 C ATOM 765 OD1 ASP A 66 3.189 2.302 -14.469 1.00 2.48 O ATOM 766 OD2 ASP A 66 1.055 2.164 -14.166 1.00 1.23 O ATOM 0 H ASP A 66 1.675 2.116 -12.062 1.00 0.34 H new ATOM 0 HA ASP A 66 3.180 -0.374 -11.574 1.00 0.35 H new ATOM 0 HB2 ASP A 66 3.092 -0.244 -14.138 1.00 0.51 H new ATOM 0 HB3 ASP A 66 1.510 -0.203 -13.386 1.00 0.51 H new ATOM 771 N ARG A 67 4.793 2.371 -12.396 1.00 0.39 N ATOM 772 CA ARG A 67 6.206 2.912 -12.516 1.00 0.37 C ATOM 773 C ARG A 67 6.820 3.139 -11.145 1.00 0.32 C ATOM 774 O ARG A 67 6.199 2.860 -10.144 1.00 0.77 O ATOM 775 CB ARG A 67 6.250 4.305 -13.198 1.00 0.82 C ATOM 776 CG ARG A 67 6.676 4.278 -14.680 1.00 0.49 C ATOM 777 CD ARG A 67 5.672 3.610 -15.522 1.00 1.40 C ATOM 778 NE ARG A 67 4.478 4.481 -15.347 1.00 1.75 N ATOM 779 CZ ARG A 67 3.769 4.842 -16.324 1.00 2.39 C ATOM 780 NH1 ARG A 67 2.873 3.992 -16.613 1.00 3.70 N ATOM 781 NH2 ARG A 67 4.032 5.963 -16.874 1.00 2.03 N ATOM 0 H ARG A 67 4.058 3.077 -12.443 1.00 0.39 H new ATOM 0 HA ARG A 67 6.744 2.166 -13.101 1.00 0.37 H new ATOM 0 HB2 ARG A 67 5.263 4.763 -13.125 1.00 0.82 H new ATOM 0 HB3 ARG A 67 6.940 4.944 -12.646 1.00 0.82 H new ATOM 0 HG2 ARG A 67 6.827 5.298 -15.034 1.00 0.49 H new ATOM 0 HG3 ARG A 67 7.632 3.762 -14.775 1.00 0.49 H new ATOM 0 HD2 ARG A 67 5.987 3.556 -16.564 1.00 1.40 H new ATOM 0 HD3 ARG A 67 5.481 2.588 -15.194 1.00 1.40 H new ATOM 0 HE ARG A 67 4.227 4.795 -14.410 1.00 1.75 H new ATOM 0 HH11 ARG A 67 2.793 3.132 -16.071 1.00 3.70 H new ATOM 0 HH12 ARG A 67 2.233 4.169 -17.387 1.00 3.70 H new ATOM 0 HH21 ARG A 67 4.797 6.537 -16.521 1.00 2.03 H new ATOM 0 HH22 ARG A 67 3.477 6.285 -17.667 1.00 2.03 H new ATOM 795 N VAL A 68 8.046 3.568 -11.205 1.00 0.47 N ATOM 796 CA VAL A 68 8.920 3.932 -10.046 1.00 0.35 C ATOM 797 C VAL A 68 9.972 4.737 -10.779 1.00 0.30 C ATOM 798 O VAL A 68 10.729 4.160 -11.535 1.00 0.36 O ATOM 799 CB VAL A 68 9.618 2.740 -9.309 1.00 0.20 C ATOM 800 CG1 VAL A 68 10.483 3.397 -8.166 1.00 0.23 C ATOM 801 CG2 VAL A 68 8.523 1.886 -8.652 1.00 0.11 C ATOM 0 H VAL A 68 8.522 3.693 -12.098 1.00 0.47 H new ATOM 0 HA VAL A 68 8.355 4.412 -9.247 1.00 0.35 H new ATOM 0 HB VAL A 68 10.219 2.127 -9.981 1.00 0.20 H new ATOM 0 HG11 VAL A 68 11.001 2.617 -7.608 1.00 0.23 H new ATOM 0 HG12 VAL A 68 11.214 4.074 -8.607 1.00 0.23 H new ATOM 0 HG13 VAL A 68 9.832 3.954 -7.492 1.00 0.23 H new ATOM 0 HG21 VAL A 68 8.981 1.046 -8.130 1.00 0.11 H new ATOM 0 HG22 VAL A 68 7.965 2.495 -7.941 1.00 0.11 H new ATOM 0 HG23 VAL A 68 7.845 1.511 -9.419 1.00 0.11 H new ATOM 811 N ARG A 69 10.006 6.019 -10.579 1.00 0.30 N ATOM 812 CA ARG A 69 11.043 6.813 -11.312 1.00 0.22 C ATOM 813 C ARG A 69 12.275 6.769 -10.411 1.00 0.22 C ATOM 814 O ARG A 69 12.124 6.839 -9.210 1.00 0.22 O ATOM 815 CB ARG A 69 10.482 8.243 -11.512 1.00 0.29 C ATOM 816 CG ARG A 69 9.503 8.290 -12.721 1.00 0.43 C ATOM 817 CD ARG A 69 9.337 9.758 -13.081 1.00 0.70 C ATOM 818 NE ARG A 69 10.645 10.140 -13.724 1.00 1.09 N ATOM 819 CZ ARG A 69 10.820 10.924 -14.717 1.00 1.70 C ATOM 820 NH1 ARG A 69 10.089 10.831 -15.758 1.00 2.60 N ATOM 821 NH2 ARG A 69 11.767 11.763 -14.550 1.00 2.08 N ATOM 0 H ARG A 69 9.387 6.546 -9.963 1.00 0.30 H new ATOM 0 HA ARG A 69 11.301 6.434 -12.301 1.00 0.22 H new ATOM 0 HB2 ARG A 69 9.966 8.565 -10.608 1.00 0.29 H new ATOM 0 HB3 ARG A 69 11.303 8.941 -11.676 1.00 0.29 H new ATOM 0 HG2 ARG A 69 9.900 7.726 -13.565 1.00 0.43 H new ATOM 0 HG3 ARG A 69 8.543 7.843 -12.462 1.00 0.43 H new ATOM 0 HD2 ARG A 69 8.501 9.907 -13.764 1.00 0.70 H new ATOM 0 HD3 ARG A 69 9.138 10.363 -12.197 1.00 0.70 H new ATOM 0 HE ARG A 69 11.485 9.726 -13.321 1.00 1.09 H new ATOM 0 HH11 ARG A 69 9.355 10.125 -15.804 1.00 2.60 H new ATOM 0 HH12 ARG A 69 10.239 11.463 -16.544 1.00 2.60 H new ATOM 0 HH21 ARG A 69 12.302 11.762 -13.682 1.00 2.08 H new ATOM 0 HH22 ARG A 69 11.989 12.435 -15.285 1.00 2.08 H new ATOM 835 N LEU A 70 13.456 6.657 -10.949 1.00 0.20 N ATOM 836 CA LEU A 70 14.653 6.608 -10.041 1.00 0.22 C ATOM 837 C LEU A 70 15.415 7.905 -10.163 1.00 0.27 C ATOM 838 O LEU A 70 15.538 8.418 -11.256 1.00 0.46 O ATOM 839 CB LEU A 70 15.567 5.406 -10.431 1.00 0.22 C ATOM 840 CG LEU A 70 15.606 4.424 -9.226 1.00 0.20 C ATOM 841 CD1 LEU A 70 16.216 3.044 -9.560 1.00 0.23 C ATOM 842 CD2 LEU A 70 16.558 5.037 -8.237 1.00 0.29 C ATOM 0 H LEU A 70 13.651 6.598 -11.949 1.00 0.20 H new ATOM 0 HA LEU A 70 14.328 6.474 -9.009 1.00 0.22 H new ATOM 0 HB2 LEU A 70 15.181 4.905 -11.319 1.00 0.22 H new ATOM 0 HB3 LEU A 70 16.572 5.753 -10.673 1.00 0.22 H new ATOM 0 HG LEU A 70 14.581 4.275 -8.886 1.00 0.20 H new ATOM 0 HD11 LEU A 70 16.207 2.417 -8.668 1.00 0.23 H new ATOM 0 HD12 LEU A 70 15.629 2.567 -10.345 1.00 0.23 H new ATOM 0 HD13 LEU A 70 17.243 3.173 -9.903 1.00 0.23 H new ATOM 0 HD21 LEU A 70 16.634 4.395 -7.359 1.00 0.29 H new ATOM 0 HD22 LEU A 70 17.541 5.142 -8.696 1.00 0.29 H new ATOM 0 HD23 LEU A 70 16.190 6.018 -7.938 1.00 0.29 H new ATOM 854 N ALA A 71 15.906 8.395 -9.058 1.00 0.12 N ATOM 855 CA ALA A 71 16.665 9.669 -9.094 1.00 0.16 C ATOM 856 C ALA A 71 18.159 9.405 -8.759 1.00 0.17 C ATOM 857 O ALA A 71 18.611 9.472 -7.626 1.00 0.21 O ATOM 858 CB ALA A 71 15.968 10.596 -8.092 1.00 0.18 C ATOM 0 H ALA A 71 15.813 7.968 -8.137 1.00 0.12 H new ATOM 0 HA ALA A 71 16.670 10.136 -10.079 1.00 0.16 H new ATOM 0 HB1 ALA A 71 16.480 11.558 -8.069 1.00 0.18 H new ATOM 0 HB2 ALA A 71 14.931 10.744 -8.394 1.00 0.18 H new ATOM 0 HB3 ALA A 71 15.996 10.146 -7.100 1.00 0.18 H new ATOM 864 N VAL A 72 18.890 9.098 -9.785 1.00 0.16 N ATOM 865 CA VAL A 72 20.343 8.812 -9.605 1.00 0.19 C ATOM 866 C VAL A 72 21.128 10.029 -10.058 1.00 0.30 C ATOM 867 O VAL A 72 20.593 10.913 -10.693 1.00 0.35 O ATOM 868 CB VAL A 72 20.811 7.635 -10.481 1.00 0.19 C ATOM 869 CG1 VAL A 72 20.175 6.349 -10.064 1.00 0.16 C ATOM 870 CG2 VAL A 72 20.375 7.863 -11.906 1.00 0.21 C ATOM 0 H VAL A 72 18.549 9.031 -10.744 1.00 0.16 H new ATOM 0 HA VAL A 72 20.505 8.568 -8.555 1.00 0.19 H new ATOM 0 HB VAL A 72 21.895 7.577 -10.377 1.00 0.19 H new ATOM 0 HG11 VAL A 72 20.530 5.543 -10.706 1.00 0.16 H new ATOM 0 HG12 VAL A 72 20.438 6.132 -9.029 1.00 0.16 H new ATOM 0 HG13 VAL A 72 19.092 6.433 -10.153 1.00 0.16 H new ATOM 0 HG21 VAL A 72 20.706 7.030 -12.526 1.00 0.21 H new ATOM 0 HG22 VAL A 72 19.288 7.936 -11.947 1.00 0.21 H new ATOM 0 HG23 VAL A 72 20.815 8.789 -12.277 1.00 0.21 H new ATOM 880 N ASP A 73 22.382 10.084 -9.732 1.00 0.38 N ATOM 881 CA ASP A 73 23.191 11.260 -10.182 1.00 0.51 C ATOM 882 C ASP A 73 24.130 10.707 -11.254 1.00 0.34 C ATOM 883 O ASP A 73 23.888 9.679 -11.855 1.00 0.31 O ATOM 884 CB ASP A 73 23.986 11.848 -8.974 1.00 0.82 C ATOM 885 CG ASP A 73 24.437 10.771 -8.006 1.00 1.32 C ATOM 886 OD1 ASP A 73 24.754 9.690 -8.480 1.00 1.01 O ATOM 887 OD2 ASP A 73 24.424 11.144 -6.843 1.00 2.53 O ATOM 0 H ASP A 73 22.882 9.384 -9.184 1.00 0.38 H new ATOM 0 HA ASP A 73 22.578 12.071 -10.575 1.00 0.51 H new ATOM 0 HB2 ASP A 73 24.857 12.390 -9.343 1.00 0.82 H new ATOM 0 HB3 ASP A 73 23.362 12.569 -8.447 1.00 0.82 H new ATOM 892 N LYS A 74 25.198 11.400 -11.494 1.00 0.59 N ATOM 893 CA LYS A 74 26.152 10.946 -12.502 1.00 0.45 C ATOM 894 C LYS A 74 27.083 9.886 -11.893 1.00 0.74 C ATOM 895 O LYS A 74 28.055 9.521 -12.518 1.00 1.04 O ATOM 896 CB LYS A 74 26.910 12.198 -13.006 1.00 0.78 C ATOM 897 CG LYS A 74 25.915 13.233 -13.628 1.00 1.53 C ATOM 898 CD LYS A 74 25.438 14.285 -12.572 1.00 1.40 C ATOM 899 CE LYS A 74 24.589 15.378 -13.254 1.00 2.36 C ATOM 900 NZ LYS A 74 23.136 15.001 -13.233 1.00 3.11 N ATOM 0 H LYS A 74 25.445 12.271 -11.024 1.00 0.59 H new ATOM 0 HA LYS A 74 25.660 10.468 -13.349 1.00 0.45 H new ATOM 0 HB2 LYS A 74 27.452 12.658 -12.180 1.00 0.78 H new ATOM 0 HB3 LYS A 74 27.651 11.906 -13.750 1.00 0.78 H new ATOM 0 HG2 LYS A 74 26.397 13.746 -14.460 1.00 1.53 H new ATOM 0 HG3 LYS A 74 25.051 12.708 -14.034 1.00 1.53 H new ATOM 0 HD2 LYS A 74 24.853 13.792 -11.795 1.00 1.40 H new ATOM 0 HD3 LYS A 74 26.301 14.737 -12.083 1.00 1.40 H new ATOM 0 HE2 LYS A 74 24.732 16.330 -12.743 1.00 2.36 H new ATOM 0 HE3 LYS A 74 24.921 15.516 -14.283 1.00 2.36 H new ATOM 0 HZ1 LYS A 74 22.734 15.116 -14.185 1.00 3.11 H new ATOM 0 HZ2 LYS A 74 23.039 14.010 -12.934 1.00 3.11 H new ATOM 0 HZ3 LYS A 74 22.627 15.616 -12.566 1.00 3.11 H new ATOM 914 N LEU A 75 26.761 9.436 -10.702 1.00 0.82 N ATOM 915 CA LEU A 75 27.567 8.402 -9.985 1.00 1.15 C ATOM 916 C LEU A 75 26.621 7.222 -9.754 1.00 0.98 C ATOM 917 O LEU A 75 26.708 6.520 -8.764 1.00 1.00 O ATOM 918 CB LEU A 75 28.015 8.979 -8.650 1.00 1.51 C ATOM 919 CG LEU A 75 28.746 10.314 -8.762 1.00 1.71 C ATOM 920 CD1 LEU A 75 29.091 10.742 -7.332 1.00 1.90 C ATOM 921 CD2 LEU A 75 30.015 10.135 -9.577 1.00 1.88 C ATOM 0 H LEU A 75 25.944 9.756 -10.183 1.00 0.82 H new ATOM 0 HA LEU A 75 28.450 8.095 -10.546 1.00 1.15 H new ATOM 0 HB2 LEU A 75 27.142 9.108 -8.011 1.00 1.51 H new ATOM 0 HB3 LEU A 75 28.668 8.260 -8.156 1.00 1.51 H new ATOM 0 HG LEU A 75 28.132 11.066 -9.258 1.00 1.71 H new ATOM 0 HD11 LEU A 75 29.618 11.696 -7.355 1.00 1.90 H new ATOM 0 HD12 LEU A 75 28.174 10.848 -6.753 1.00 1.90 H new ATOM 0 HD13 LEU A 75 29.727 9.987 -6.870 1.00 1.90 H new ATOM 0 HD21 LEU A 75 30.535 11.090 -9.655 1.00 1.88 H new ATOM 0 HD22 LEU A 75 30.663 9.408 -9.087 1.00 1.88 H new ATOM 0 HD23 LEU A 75 29.759 9.778 -10.575 1.00 1.88 H new ATOM 933 N ASP A 76 25.750 7.095 -10.712 1.00 0.83 N ATOM 934 CA ASP A 76 24.708 6.047 -10.753 1.00 0.68 C ATOM 935 C ASP A 76 24.269 5.488 -9.376 1.00 0.57 C ATOM 936 O ASP A 76 23.977 4.322 -9.196 1.00 0.55 O ATOM 937 CB ASP A 76 25.255 4.953 -11.741 1.00 0.89 C ATOM 938 CG ASP A 76 26.779 4.868 -11.899 1.00 1.19 C ATOM 939 OD1 ASP A 76 27.346 5.819 -12.416 1.00 2.14 O ATOM 940 OD2 ASP A 76 27.275 3.827 -11.492 1.00 1.41 O ATOM 0 H ASP A 76 25.723 7.720 -11.517 1.00 0.83 H new ATOM 0 HA ASP A 76 23.768 6.472 -11.105 1.00 0.68 H new ATOM 0 HB2 ASP A 76 24.893 3.981 -11.407 1.00 0.89 H new ATOM 0 HB3 ASP A 76 24.820 5.134 -12.724 1.00 0.89 H new ATOM 945 N ASN A 77 24.235 6.374 -8.417 1.00 0.53 N ATOM 946 CA ASN A 77 23.808 5.964 -7.056 1.00 0.43 C ATOM 947 C ASN A 77 22.445 6.601 -6.944 1.00 0.25 C ATOM 948 O ASN A 77 22.127 7.532 -7.662 1.00 0.33 O ATOM 949 CB ASN A 77 24.725 6.544 -5.941 1.00 0.70 C ATOM 950 CG ASN A 77 24.684 8.072 -5.891 1.00 1.92 C ATOM 951 OD1 ASN A 77 23.704 8.711 -5.580 1.00 2.80 O ATOM 952 ND2 ASN A 77 25.762 8.693 -6.201 1.00 2.15 N ATOM 0 H ASN A 77 24.484 7.358 -8.520 1.00 0.53 H new ATOM 0 HA ASN A 77 23.835 4.882 -6.929 1.00 0.43 H new ATOM 0 HB2 ASN A 77 24.417 6.143 -4.975 1.00 0.70 H new ATOM 0 HB3 ASN A 77 25.751 6.216 -6.110 1.00 0.70 H new ATOM 0 HD21 ASN A 77 25.786 9.713 -6.184 1.00 2.15 H new ATOM 0 HD22 ASN A 77 26.595 8.167 -6.465 1.00 2.15 H new ATOM 959 N ILE A 78 21.672 6.079 -6.048 1.00 0.21 N ATOM 960 CA ILE A 78 20.331 6.678 -5.890 1.00 0.22 C ATOM 961 C ILE A 78 20.623 7.901 -5.096 1.00 0.25 C ATOM 962 O ILE A 78 20.882 7.879 -3.913 1.00 0.37 O ATOM 963 CB ILE A 78 19.427 5.707 -5.149 1.00 0.26 C ATOM 964 CG1 ILE A 78 19.298 4.383 -5.936 1.00 0.24 C ATOM 965 CG2 ILE A 78 18.007 6.374 -5.023 1.00 0.32 C ATOM 966 CD1 ILE A 78 19.487 4.608 -7.432 1.00 0.20 C ATOM 0 H ILE A 78 21.897 5.293 -5.438 1.00 0.21 H new ATOM 0 HA ILE A 78 19.812 6.904 -6.822 1.00 0.22 H new ATOM 0 HB ILE A 78 19.846 5.486 -4.167 1.00 0.26 H new ATOM 0 HG12 ILE A 78 20.040 3.670 -5.577 1.00 0.24 H new ATOM 0 HG13 ILE A 78 18.318 3.943 -5.753 1.00 0.24 H new ATOM 0 HG21 ILE A 78 17.334 5.699 -4.494 1.00 0.32 H new ATOM 0 HG22 ILE A 78 18.092 7.309 -4.470 1.00 0.32 H new ATOM 0 HG23 ILE A 78 17.610 6.576 -6.018 1.00 0.32 H new ATOM 0 HD11 ILE A 78 19.391 3.658 -7.958 1.00 0.20 H new ATOM 0 HD12 ILE A 78 18.729 5.302 -7.794 1.00 0.20 H new ATOM 0 HD13 ILE A 78 20.477 5.025 -7.615 1.00 0.20 H new ATOM 978 N ALA A 79 20.540 8.957 -5.829 1.00 0.13 N ATOM 979 CA ALA A 79 20.808 10.266 -5.224 1.00 0.22 C ATOM 980 C ALA A 79 19.569 10.607 -4.409 1.00 0.20 C ATOM 981 O ALA A 79 19.672 11.115 -3.312 1.00 0.34 O ATOM 982 CB ALA A 79 21.073 11.188 -6.416 1.00 0.25 C ATOM 0 H ALA A 79 20.298 8.969 -6.820 1.00 0.13 H new ATOM 0 HA ALA A 79 21.659 10.334 -4.546 1.00 0.22 H new ATOM 0 HB1 ALA A 79 21.284 12.195 -6.057 1.00 0.25 H new ATOM 0 HB2 ALA A 79 21.929 10.817 -6.980 1.00 0.25 H new ATOM 0 HB3 ALA A 79 20.195 11.210 -7.062 1.00 0.25 H new ATOM 988 N GLN A 80 18.426 10.309 -4.953 1.00 0.09 N ATOM 989 CA GLN A 80 17.131 10.598 -4.246 1.00 0.18 C ATOM 990 C GLN A 80 16.119 9.458 -4.227 1.00 0.29 C ATOM 991 O GLN A 80 16.092 8.598 -5.086 1.00 0.50 O ATOM 992 CB GLN A 80 16.427 11.856 -4.867 1.00 0.17 C ATOM 993 CG GLN A 80 16.091 12.972 -3.756 1.00 0.32 C ATOM 994 CD GLN A 80 17.262 13.762 -3.173 1.00 1.38 C ATOM 995 OE1 GLN A 80 18.443 13.285 -3.276 1.00 1.57 O flip ATOM 996 NE2 GLN A 80 17.132 14.822 -2.605 1.00 2.90 N flip ATOM 0 H GLN A 80 18.323 9.872 -5.869 1.00 0.09 H new ATOM 0 HA GLN A 80 17.435 10.766 -3.213 1.00 0.18 H new ATOM 0 HB2 GLN A 80 17.070 12.290 -5.633 1.00 0.17 H new ATOM 0 HB3 GLN A 80 15.506 11.548 -5.361 1.00 0.17 H new ATOM 0 HG2 GLN A 80 15.391 13.683 -4.194 1.00 0.32 H new ATOM 0 HG3 GLN A 80 15.573 12.481 -2.932 1.00 0.32 H new ATOM 0 HE21 GLN A 80 16.205 15.235 -2.503 1.00 2.90 H new ATOM 0 HE22 GLN A 80 17.949 15.302 -2.228 1.00 2.90 H new ATOM 1005 N VAL A 81 15.331 9.577 -3.191 1.00 0.20 N ATOM 1006 CA VAL A 81 14.224 8.640 -2.853 1.00 0.18 C ATOM 1007 C VAL A 81 13.318 8.454 -4.076 1.00 0.22 C ATOM 1008 O VAL A 81 12.524 9.329 -4.380 1.00 0.30 O ATOM 1009 CB VAL A 81 13.409 9.224 -1.680 1.00 0.18 C ATOM 1010 CG1 VAL A 81 12.418 8.144 -1.207 1.00 0.25 C ATOM 1011 CG2 VAL A 81 14.343 9.645 -0.518 1.00 0.26 C ATOM 0 H VAL A 81 15.422 10.342 -2.522 1.00 0.20 H new ATOM 0 HA VAL A 81 14.634 7.672 -2.564 1.00 0.18 H new ATOM 0 HB VAL A 81 12.872 10.114 -2.007 1.00 0.18 H new ATOM 0 HG11 VAL A 81 11.827 8.531 -0.376 1.00 0.25 H new ATOM 0 HG12 VAL A 81 11.755 7.874 -2.029 1.00 0.25 H new ATOM 0 HG13 VAL A 81 12.969 7.262 -0.881 1.00 0.25 H new ATOM 0 HG21 VAL A 81 13.747 10.054 0.298 1.00 0.26 H new ATOM 0 HG22 VAL A 81 14.896 8.776 -0.163 1.00 0.26 H new ATOM 0 HG23 VAL A 81 15.044 10.402 -0.870 1.00 0.26 H new ATOM 1021 N PRO A 82 13.449 7.346 -4.757 1.00 0.25 N ATOM 1022 CA PRO A 82 12.700 7.149 -6.015 1.00 0.29 C ATOM 1023 C PRO A 82 11.279 6.711 -5.531 1.00 0.26 C ATOM 1024 O PRO A 82 11.150 6.116 -4.476 1.00 0.25 O ATOM 1025 CB PRO A 82 13.632 6.126 -6.686 1.00 0.32 C ATOM 1026 CG PRO A 82 13.937 5.175 -5.547 1.00 0.32 C ATOM 1027 CD PRO A 82 14.301 6.163 -4.426 1.00 0.28 C ATOM 0 HA PRO A 82 12.499 7.948 -6.728 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.147 5.619 -7.520 1.00 0.32 H new ATOM 0 HB3 PRO A 82 14.535 6.594 -7.078 1.00 0.32 H new ATOM 0 HG2 PRO A 82 13.079 4.555 -5.287 1.00 0.32 H new ATOM 0 HG3 PRO A 82 14.759 4.499 -5.783 1.00 0.32 H new ATOM 0 HD2 PRO A 82 14.073 5.761 -3.439 1.00 0.28 H new ATOM 0 HD3 PRO A 82 15.362 6.412 -4.431 1.00 0.28 H new ATOM 1035 N ARG A 83 10.253 7.020 -6.275 1.00 0.32 N ATOM 1036 CA ARG A 83 8.854 6.658 -5.904 1.00 0.30 C ATOM 1037 C ARG A 83 8.053 6.035 -7.049 1.00 0.31 C ATOM 1038 O ARG A 83 8.346 6.335 -8.190 1.00 0.49 O ATOM 1039 CB ARG A 83 8.092 7.864 -5.530 1.00 0.45 C ATOM 1040 CG ARG A 83 8.765 8.696 -4.476 1.00 0.35 C ATOM 1041 CD ARG A 83 7.669 9.644 -4.051 1.00 0.67 C ATOM 1042 NE ARG A 83 7.219 10.489 -5.231 1.00 2.23 N ATOM 1043 CZ ARG A 83 6.181 10.238 -5.969 1.00 3.63 C ATOM 1044 NH1 ARG A 83 5.135 9.728 -5.455 1.00 4.03 N ATOM 1045 NH2 ARG A 83 6.221 10.497 -7.222 1.00 4.77 N ATOM 0 H ARG A 83 10.330 7.527 -7.157 1.00 0.32 H new ATOM 0 HA ARG A 83 8.966 5.942 -5.090 1.00 0.30 H new ATOM 0 HB2 ARG A 83 7.936 8.475 -6.419 1.00 0.45 H new ATOM 0 HB3 ARG A 83 7.107 7.565 -5.171 1.00 0.45 H new ATOM 0 HG2 ARG A 83 9.119 8.087 -3.644 1.00 0.35 H new ATOM 0 HG3 ARG A 83 9.630 9.228 -4.872 1.00 0.35 H new ATOM 0 HD2 ARG A 83 6.824 9.081 -3.655 1.00 0.67 H new ATOM 0 HD3 ARG A 83 8.027 10.289 -3.248 1.00 0.67 H new ATOM 0 HE ARG A 83 7.773 11.314 -5.460 1.00 2.23 H new ATOM 0 HH11 ARG A 83 5.109 9.514 -4.458 1.00 4.03 H new ATOM 0 HH12 ARG A 83 4.322 9.533 -6.040 1.00 4.03 H new ATOM 0 HH21 ARG A 83 7.064 10.898 -7.633 1.00 4.77 H new ATOM 0 HH22 ARG A 83 5.410 10.303 -7.809 1.00 4.77 H new ATOM 1059 N VAL A 84 7.090 5.225 -6.701 1.00 0.32 N ATOM 1060 CA VAL A 84 6.222 4.569 -7.727 1.00 0.33 C ATOM 1061 C VAL A 84 5.637 5.484 -8.817 1.00 0.34 C ATOM 1062 O VAL A 84 6.011 5.447 -9.973 1.00 0.68 O ATOM 1063 CB VAL A 84 5.085 3.851 -6.963 1.00 0.36 C ATOM 1064 CG1 VAL A 84 4.075 3.293 -7.937 1.00 0.36 C ATOM 1065 CG2 VAL A 84 5.642 2.660 -6.269 1.00 0.34 C ATOM 0 H VAL A 84 6.863 4.985 -5.736 1.00 0.32 H new ATOM 0 HA VAL A 84 6.861 3.889 -8.290 1.00 0.33 H new ATOM 0 HB VAL A 84 4.636 4.570 -6.278 1.00 0.36 H new ATOM 0 HG11 VAL A 84 3.279 2.790 -7.388 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.651 4.106 -8.527 1.00 0.36 H new ATOM 0 HG13 VAL A 84 4.565 2.580 -8.601 1.00 0.36 H new ATOM 0 HG21 VAL A 84 4.846 2.149 -5.728 1.00 0.34 H new ATOM 0 HG22 VAL A 84 6.076 1.981 -7.003 1.00 0.34 H new ATOM 0 HG23 VAL A 84 6.413 2.976 -5.566 1.00 0.34 H new ATOM 1075 N GLY A 85 4.728 6.279 -8.336 1.00 0.70 N ATOM 1076 CA GLY A 85 3.999 7.262 -9.221 1.00 0.79 C ATOM 1077 C GLY A 85 4.122 8.772 -8.945 1.00 1.30 C ATOM 1078 O GLY A 85 3.884 9.204 -7.828 1.00 2.48 O ATOM 1079 OXT GLY A 85 4.449 9.426 -9.920 1.00 0.97 O ATOM 0 H GLY A 85 4.446 6.300 -7.356 1.00 0.70 H new ATOM 0 HA2 GLY A 85 4.333 7.089 -10.244 1.00 0.79 H new ATOM 0 HA3 GLY A 85 2.939 7.009 -9.185 1.00 0.79 H new TER 1083 GLY A 85