USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 TYR OH : rot 84:sc= 0.0469 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.0451 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.0837 USER MOD Set 2.2: A 49 THR OG1 : rot -76:sc= 0.96 USER MOD Set 2.3: A 51 ASN : amide:sc= -1.6! K(o=-0.55!,f=0.74) USER MOD Single : A 6 GLN : amide:sc= 0.281 X(o=0.28,f=-0.15) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -41:sc= 0.211 USER MOD Single : A 17 ASN : amide:sc= -0.996 K(o=-1,f=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= 0.491 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -27:sc= 0.398 USER MOD Single : A 39 ASN : amide:sc= 0.016 K(o=0.016,f=-0.73) USER MOD Single : A 40 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.11) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -18:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.163 4.650 -1.443 1.00 1.05 N ATOM 2 CA VAL A 5 -8.760 5.917 -0.972 1.00 1.18 C ATOM 3 C VAL A 5 -10.023 6.237 -1.789 1.00 1.64 C ATOM 4 O VAL A 5 -10.222 7.350 -2.280 1.00 2.42 O ATOM 5 CB VAL A 5 -7.724 7.077 -1.036 1.00 1.97 C ATOM 6 CG1 VAL A 5 -7.290 7.364 -2.470 1.00 2.80 C ATOM 7 CG2 VAL A 5 -8.259 8.336 -0.356 1.00 2.59 C ATOM 0 HA VAL A 5 -9.051 5.805 0.072 1.00 1.18 H new ATOM 0 HB VAL A 5 -6.839 6.754 -0.487 1.00 1.97 H new ATOM 0 HG11 VAL A 5 -6.567 8.179 -2.475 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -6.833 6.471 -2.898 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -8.159 7.647 -3.064 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -7.512 9.128 -0.417 1.00 2.59 H new ATOM 0 HG22 VAL A 5 -9.173 8.659 -0.855 1.00 2.59 H new ATOM 0 HG23 VAL A 5 -8.474 8.121 0.691 1.00 2.59 H new ATOM 17 N GLN A 6 -10.882 5.235 -1.943 1.00 1.99 N ATOM 18 CA GLN A 6 -12.118 5.403 -2.692 1.00 2.85 C ATOM 19 C GLN A 6 -13.192 6.051 -1.823 1.00 2.54 C ATOM 20 O GLN A 6 -13.965 6.884 -2.293 1.00 3.16 O ATOM 21 CB GLN A 6 -12.609 4.053 -3.221 1.00 3.91 C ATOM 22 CG GLN A 6 -13.839 4.150 -4.111 1.00 4.91 C ATOM 23 CD GLN A 6 -13.631 5.062 -5.304 1.00 6.00 C ATOM 24 OE1 GLN A 6 -13.174 4.628 -6.360 1.00 6.69 O ATOM 25 NE2 GLN A 6 -13.967 6.334 -5.147 1.00 6.45 N ATOM 0 H GLN A 6 -10.744 4.300 -1.559 1.00 1.99 H new ATOM 0 HA GLN A 6 -11.917 6.059 -3.539 1.00 2.85 H new ATOM 0 HB2 GLN A 6 -11.803 3.579 -3.782 1.00 3.91 H new ATOM 0 HB3 GLN A 6 -12.835 3.403 -2.376 1.00 3.91 H new ATOM 0 HG2 GLN A 6 -14.106 3.154 -4.463 1.00 4.91 H new ATOM 0 HG3 GLN A 6 -14.680 4.516 -3.522 1.00 4.91 H new ATOM 0 HE21 GLN A 6 -14.343 6.656 -4.255 1.00 6.45 H new ATOM 0 HE22 GLN A 6 -13.850 6.991 -5.918 1.00 6.45 H new ATOM 34 N LEU A 7 -13.231 5.664 -0.555 1.00 1.99 N ATOM 35 CA LEU A 7 -14.192 6.227 0.381 1.00 1.82 C ATOM 36 C LEU A 7 -13.619 7.484 1.025 1.00 2.14 C ATOM 37 O LEU A 7 -12.401 7.654 1.107 1.00 2.82 O ATOM 38 CB LEU A 7 -14.575 5.197 1.444 1.00 1.60 C ATOM 39 CG LEU A 7 -15.302 3.956 0.909 1.00 1.56 C ATOM 40 CD1 LEU A 7 -15.647 3.003 2.041 1.00 1.63 C ATOM 41 CD2 LEU A 7 -16.563 4.359 0.157 1.00 2.29 C ATOM 0 H LEU A 7 -12.609 4.963 -0.152 1.00 1.99 H new ATOM 0 HA LEU A 7 -15.096 6.498 -0.165 1.00 1.82 H new ATOM 0 HB2 LEU A 7 -13.670 4.876 1.960 1.00 1.60 H new ATOM 0 HB3 LEU A 7 -15.211 5.681 2.186 1.00 1.60 H new ATOM 0 HG LEU A 7 -14.633 3.442 0.219 1.00 1.56 H new ATOM 0 HD11 LEU A 7 -16.162 2.131 1.638 1.00 1.63 H new ATOM 0 HD12 LEU A 7 -14.732 2.686 2.541 1.00 1.63 H new ATOM 0 HD13 LEU A 7 -16.295 3.508 2.757 1.00 1.63 H new ATOM 0 HD21 LEU A 7 -17.066 3.466 -0.215 1.00 2.29 H new ATOM 0 HD22 LEU A 7 -17.231 4.898 0.829 1.00 2.29 H new ATOM 0 HD23 LEU A 7 -16.297 5.002 -0.682 1.00 2.29 H new ATOM 53 N SER A 8 -14.514 8.353 1.473 1.00 2.20 N ATOM 54 CA SER A 8 -14.156 9.704 1.878 1.00 2.72 C ATOM 55 C SER A 8 -13.694 9.757 3.333 1.00 2.76 C ATOM 56 O SER A 8 -12.834 10.565 3.689 1.00 3.10 O ATOM 57 CB SER A 8 -15.361 10.622 1.667 1.00 3.21 C ATOM 58 OG SER A 8 -14.995 11.991 1.723 1.00 3.77 O ATOM 0 H SER A 8 -15.507 8.141 1.566 1.00 2.20 H new ATOM 0 HA SER A 8 -13.320 10.040 1.265 1.00 2.72 H new ATOM 0 HB2 SER A 8 -15.817 10.407 0.701 1.00 3.21 H new ATOM 0 HB3 SER A 8 -16.113 10.415 2.428 1.00 3.21 H new ATOM 0 HG SER A 8 -15.789 12.548 1.583 1.00 3.77 H new ATOM 64 N GLU A 9 -14.273 8.913 4.174 1.00 2.62 N ATOM 65 CA GLU A 9 -13.874 8.846 5.569 1.00 2.82 C ATOM 66 C GLU A 9 -12.822 7.760 5.740 1.00 2.50 C ATOM 67 O GLU A 9 -11.622 8.040 5.806 1.00 2.64 O ATOM 68 CB GLU A 9 -15.090 8.573 6.459 1.00 3.14 C ATOM 69 CG GLU A 9 -14.799 8.669 7.944 1.00 3.67 C ATOM 70 CD GLU A 9 -16.025 8.402 8.785 1.00 4.14 C ATOM 71 OE1 GLU A 9 -17.006 9.163 8.671 1.00 4.39 O ATOM 72 OE2 GLU A 9 -16.023 7.416 9.555 1.00 4.59 O ATOM 0 H GLU A 9 -15.019 8.267 3.914 1.00 2.62 H new ATOM 0 HA GLU A 9 -13.447 9.803 5.871 1.00 2.82 H new ATOM 0 HB2 GLU A 9 -15.879 9.282 6.207 1.00 3.14 H new ATOM 0 HB3 GLU A 9 -15.474 7.577 6.238 1.00 3.14 H new ATOM 0 HG2 GLU A 9 -14.018 7.955 8.206 1.00 3.67 H new ATOM 0 HG3 GLU A 9 -14.413 9.662 8.173 1.00 3.67 H new ATOM 79 N THR A 10 -13.276 6.525 5.800 1.00 2.14 N ATOM 80 CA THR A 10 -12.385 5.388 5.790 1.00 1.81 C ATOM 81 C THR A 10 -12.752 4.455 4.654 1.00 1.38 C ATOM 82 O THR A 10 -13.914 4.092 4.485 1.00 1.31 O ATOM 83 CB THR A 10 -12.409 4.614 7.118 1.00 1.90 C ATOM 84 OG1 THR A 10 -13.749 4.549 7.631 1.00 2.04 O ATOM 85 CG2 THR A 10 -11.493 5.264 8.139 1.00 2.42 C ATOM 0 H THR A 10 -14.266 6.284 5.857 1.00 2.14 H new ATOM 0 HA THR A 10 -11.374 5.772 5.650 1.00 1.81 H new ATOM 0 HB THR A 10 -12.051 3.602 6.929 1.00 1.90 H new ATOM 0 HG1 THR A 10 -13.752 4.052 8.476 1.00 2.04 H new ATOM 0 HG21 THR A 10 -11.527 4.699 9.070 1.00 2.42 H new ATOM 0 HG22 THR A 10 -10.472 5.274 7.758 1.00 2.42 H new ATOM 0 HG23 THR A 10 -11.821 6.287 8.323 1.00 2.42 H new ATOM 93 N PRO A 11 -11.758 4.075 3.851 1.00 1.30 N ATOM 94 CA PRO A 11 -11.965 3.197 2.707 1.00 1.17 C ATOM 95 C PRO A 11 -12.134 1.741 3.132 1.00 0.93 C ATOM 96 O PRO A 11 -12.396 1.462 4.299 1.00 1.52 O ATOM 97 CB PRO A 11 -10.693 3.399 1.889 1.00 1.41 C ATOM 98 CG PRO A 11 -9.646 3.778 2.877 1.00 1.69 C ATOM 99 CD PRO A 11 -10.349 4.472 4.008 1.00 1.58 C ATOM 0 HA PRO A 11 -12.875 3.427 2.152 1.00 1.17 H new ATOM 0 HB2 PRO A 11 -10.419 2.488 1.356 1.00 1.41 H new ATOM 0 HB3 PRO A 11 -10.827 4.179 1.139 1.00 1.41 H new ATOM 0 HG2 PRO A 11 -9.115 2.896 3.235 1.00 1.69 H new ATOM 0 HG3 PRO A 11 -8.904 4.434 2.422 1.00 1.69 H new ATOM 0 HD2 PRO A 11 -9.952 4.161 4.975 1.00 1.58 H new ATOM 0 HD3 PRO A 11 -10.230 5.554 3.948 1.00 1.58 H new ATOM 107 N ALA A 12 -11.987 0.811 2.208 1.00 0.86 N ATOM 108 CA ALA A 12 -12.112 -0.593 2.551 1.00 0.68 C ATOM 109 C ALA A 12 -10.742 -1.240 2.620 1.00 0.67 C ATOM 110 O ALA A 12 -10.278 -1.626 3.693 1.00 1.42 O ATOM 111 CB ALA A 12 -13.006 -1.314 1.548 1.00 0.91 C ATOM 0 H ALA A 12 -11.783 0.998 1.226 1.00 0.86 H new ATOM 0 HA ALA A 12 -12.578 -0.672 3.533 1.00 0.68 H new ATOM 0 HB1 ALA A 12 -13.087 -2.366 1.823 1.00 0.91 H new ATOM 0 HB2 ALA A 12 -13.997 -0.860 1.552 1.00 0.91 H new ATOM 0 HB3 ALA A 12 -12.574 -1.232 0.551 1.00 0.91 H new ATOM 117 N ALA A 13 -10.073 -1.307 1.484 1.00 0.64 N ATOM 118 CA ALA A 13 -8.776 -1.945 1.415 1.00 0.53 C ATOM 119 C ALA A 13 -7.724 -1.093 2.105 1.00 0.47 C ATOM 120 O ALA A 13 -6.963 -1.584 2.939 1.00 0.58 O ATOM 121 CB ALA A 13 -8.394 -2.210 -0.028 1.00 0.59 C ATOM 0 H ALA A 13 -10.408 -0.927 0.598 1.00 0.64 H new ATOM 0 HA ALA A 13 -8.832 -2.901 1.935 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -7.416 -2.690 -0.063 1.00 0.59 H new ATOM 0 HB2 ALA A 13 -9.136 -2.864 -0.487 1.00 0.59 H new ATOM 0 HB3 ALA A 13 -8.355 -1.267 -0.573 1.00 0.59 H new ATOM 127 N CYS A 14 -7.704 0.198 1.782 1.00 0.43 N ATOM 128 CA CYS A 14 -6.720 1.109 2.359 1.00 0.48 C ATOM 129 C CYS A 14 -6.948 1.284 3.862 1.00 0.53 C ATOM 130 O CYS A 14 -6.024 1.615 4.601 1.00 0.62 O ATOM 131 CB CYS A 14 -6.750 2.470 1.657 1.00 0.59 C ATOM 132 SG CYS A 14 -6.454 2.398 -0.142 1.00 1.47 S ATOM 0 H CYS A 14 -8.354 0.634 1.128 1.00 0.43 H new ATOM 0 HA CYS A 14 -5.735 0.666 2.209 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -7.719 2.935 1.835 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -5.998 3.116 2.111 1.00 0.59 H new ATOM 137 N SER A 15 -8.173 1.031 4.315 1.00 0.60 N ATOM 138 CA SER A 15 -8.498 1.129 5.734 1.00 0.70 C ATOM 139 C SER A 15 -7.785 0.030 6.521 1.00 0.71 C ATOM 140 O SER A 15 -7.453 0.203 7.695 1.00 0.87 O ATOM 141 CB SER A 15 -10.018 1.047 5.939 1.00 0.83 C ATOM 142 OG SER A 15 -10.354 0.851 7.300 1.00 1.36 O ATOM 0 H SER A 15 -8.955 0.757 3.721 1.00 0.60 H new ATOM 0 HA SER A 15 -8.153 2.094 6.106 1.00 0.70 H new ATOM 0 HB2 SER A 15 -10.484 1.964 5.578 1.00 0.83 H new ATOM 0 HB3 SER A 15 -10.422 0.228 5.343 1.00 0.83 H new ATOM 0 HG SER A 15 -11.328 0.805 7.393 1.00 1.36 H new ATOM 148 N SER A 16 -7.519 -1.089 5.856 1.00 0.67 N ATOM 149 CA SER A 16 -6.839 -2.209 6.489 1.00 0.83 C ATOM 150 C SER A 16 -5.324 -1.987 6.475 1.00 0.76 C ATOM 151 O SER A 16 -4.553 -2.802 6.987 1.00 0.87 O ATOM 152 CB SER A 16 -7.207 -3.518 5.774 1.00 1.00 C ATOM 153 OG SER A 16 -6.742 -4.655 6.484 1.00 1.64 O ATOM 0 H SER A 16 -7.765 -1.243 4.878 1.00 0.67 H new ATOM 0 HA SER A 16 -7.162 -2.280 7.528 1.00 0.83 H new ATOM 0 HB2 SER A 16 -8.289 -3.578 5.660 1.00 1.00 H new ATOM 0 HB3 SER A 16 -6.781 -3.516 4.771 1.00 1.00 H new ATOM 0 HG SER A 16 -5.840 -4.482 6.825 1.00 1.64 H new ATOM 159 N ASN A 17 -4.922 -0.852 5.886 1.00 0.63 N ATOM 160 CA ASN A 17 -3.515 -0.456 5.777 1.00 0.65 C ATOM 161 C ASN A 17 -2.723 -1.462 4.949 1.00 0.59 C ATOM 162 O ASN A 17 -1.919 -2.219 5.487 1.00 0.77 O ATOM 163 CB ASN A 17 -2.868 -0.289 7.162 1.00 0.88 C ATOM 164 CG ASN A 17 -3.176 1.048 7.822 1.00 0.99 C ATOM 165 OD1 ASN A 17 -2.377 1.561 8.607 1.00 1.37 O ATOM 166 ND2 ASN A 17 -4.330 1.624 7.515 1.00 1.69 N ATOM 0 H ASN A 17 -5.568 -0.181 5.471 1.00 0.63 H new ATOM 0 HA ASN A 17 -3.492 0.508 5.270 1.00 0.65 H new ATOM 0 HB2 ASN A 17 -3.210 -1.093 7.813 1.00 0.88 H new ATOM 0 HB3 ASN A 17 -1.788 -0.396 7.064 1.00 0.88 H new ATOM 0 HD21 ASN A 17 -4.580 2.520 7.933 1.00 1.69 H new ATOM 0 HD22 ASN A 17 -4.968 1.171 6.861 1.00 1.69 H new ATOM 173 N PRO A 18 -2.926 -1.473 3.622 1.00 0.42 N ATOM 174 CA PRO A 18 -2.262 -2.421 2.736 1.00 0.44 C ATOM 175 C PRO A 18 -0.805 -2.051 2.531 1.00 0.42 C ATOM 176 O PRO A 18 0.094 -2.768 2.955 1.00 0.54 O ATOM 177 CB PRO A 18 -3.031 -2.309 1.412 1.00 0.43 C ATOM 178 CG PRO A 18 -4.151 -1.353 1.658 1.00 0.52 C ATOM 179 CD PRO A 18 -3.782 -0.551 2.873 1.00 0.36 C ATOM 0 HA PRO A 18 -2.266 -3.432 3.143 1.00 0.44 H new ATOM 0 HB2 PRO A 18 -2.381 -1.950 0.614 1.00 0.43 H new ATOM 0 HB3 PRO A 18 -3.411 -3.282 1.100 1.00 0.43 H new ATOM 0 HG2 PRO A 18 -4.299 -0.702 0.796 1.00 0.52 H new ATOM 0 HG3 PRO A 18 -5.087 -1.888 1.818 1.00 0.52 H new ATOM 0 HD2 PRO A 18 -3.255 0.366 2.608 1.00 0.36 H new ATOM 0 HD3 PRO A 18 -4.661 -0.258 3.447 1.00 0.36 H new ATOM 187 N CYS A 19 -0.583 -0.900 1.919 1.00 0.33 N ATOM 188 CA CYS A 19 0.758 -0.430 1.622 1.00 0.35 C ATOM 189 C CYS A 19 1.363 0.284 2.827 1.00 0.41 C ATOM 190 O CYS A 19 2.220 1.151 2.679 1.00 0.55 O ATOM 191 CB CYS A 19 0.705 0.514 0.426 1.00 0.31 C ATOM 192 SG CYS A 19 -0.790 0.312 -0.601 1.00 0.29 S ATOM 0 H CYS A 19 -1.324 -0.268 1.616 1.00 0.33 H new ATOM 0 HA CYS A 19 1.389 -1.287 1.386 1.00 0.35 H new ATOM 0 HB2 CYS A 19 0.753 1.543 0.784 1.00 0.31 H new ATOM 0 HB3 CYS A 19 1.586 0.350 -0.194 1.00 0.31 H new ATOM 197 N GLY A 20 0.914 -0.096 4.017 1.00 0.52 N ATOM 198 CA GLY A 20 1.394 0.527 5.232 1.00 0.62 C ATOM 199 C GLY A 20 0.945 1.969 5.348 1.00 0.64 C ATOM 200 O GLY A 20 -0.249 2.257 5.261 1.00 0.69 O ATOM 0 H GLY A 20 0.221 -0.830 4.161 1.00 0.52 H new ATOM 0 HA2 GLY A 20 1.034 -0.035 6.094 1.00 0.62 H new ATOM 0 HA3 GLY A 20 2.483 0.484 5.256 1.00 0.62 H new ATOM 204 N PRO A 21 1.886 2.901 5.536 1.00 0.67 N ATOM 205 CA PRO A 21 1.578 4.322 5.652 1.00 0.72 C ATOM 206 C PRO A 21 1.316 4.972 4.297 1.00 0.68 C ATOM 207 O PRO A 21 1.780 4.500 3.257 1.00 0.59 O ATOM 208 CB PRO A 21 2.844 4.899 6.273 1.00 0.80 C ATOM 209 CG PRO A 21 3.927 4.027 5.759 1.00 0.83 C ATOM 210 CD PRO A 21 3.336 2.645 5.642 1.00 0.70 C ATOM 0 HA PRO A 21 0.673 4.498 6.234 1.00 0.72 H new ATOM 0 HB2 PRO A 21 2.995 5.938 5.979 1.00 0.80 H new ATOM 0 HB3 PRO A 21 2.799 4.879 7.362 1.00 0.80 H new ATOM 0 HG2 PRO A 21 4.285 4.380 4.792 1.00 0.83 H new ATOM 0 HG3 PRO A 21 4.782 4.029 6.435 1.00 0.83 H new ATOM 0 HD2 PRO A 21 3.716 2.118 4.767 1.00 0.70 H new ATOM 0 HD3 PRO A 21 3.573 2.032 6.511 1.00 0.70 H new ATOM 218 N GLU A 22 0.586 6.077 4.332 1.00 0.81 N ATOM 219 CA GLU A 22 0.246 6.833 3.136 1.00 0.88 C ATOM 220 C GLU A 22 1.500 7.493 2.546 1.00 0.73 C ATOM 221 O GLU A 22 1.490 7.987 1.415 1.00 0.79 O ATOM 222 CB GLU A 22 -0.813 7.880 3.500 1.00 1.14 C ATOM 223 CG GLU A 22 -1.424 8.603 2.313 1.00 1.99 C ATOM 224 CD GLU A 22 -2.507 9.571 2.738 1.00 2.51 C ATOM 225 OE1 GLU A 22 -2.169 10.685 3.187 1.00 2.49 O ATOM 226 OE2 GLU A 22 -3.701 9.222 2.632 1.00 3.42 O ATOM 0 H GLU A 22 0.212 6.476 5.193 1.00 0.81 H new ATOM 0 HA GLU A 22 -0.159 6.165 2.376 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -1.610 7.391 4.060 1.00 1.14 H new ATOM 0 HB3 GLU A 22 -0.362 8.617 4.164 1.00 1.14 H new ATOM 0 HG2 GLU A 22 -0.644 9.144 1.777 1.00 1.99 H new ATOM 0 HG3 GLU A 22 -1.841 7.873 1.619 1.00 1.99 H new ATOM 233 N ALA A 23 2.579 7.480 3.324 1.00 0.65 N ATOM 234 CA ALA A 23 3.861 8.023 2.889 1.00 0.57 C ATOM 235 C ALA A 23 4.711 6.964 2.197 1.00 0.46 C ATOM 236 O ALA A 23 5.702 7.286 1.538 1.00 0.46 O ATOM 237 CB ALA A 23 4.617 8.581 4.080 1.00 0.57 C ATOM 0 H ALA A 23 2.589 7.095 4.268 1.00 0.65 H new ATOM 0 HA ALA A 23 3.659 8.819 2.172 1.00 0.57 H new ATOM 0 HB1 ALA A 23 5.573 8.985 3.747 1.00 0.57 H new ATOM 0 HB2 ALA A 23 4.030 9.374 4.544 1.00 0.57 H new ATOM 0 HB3 ALA A 23 4.791 7.786 4.805 1.00 0.57 H new ATOM 243 N ALA A 24 4.330 5.702 2.351 1.00 0.41 N ATOM 244 CA ALA A 24 5.101 4.610 1.779 1.00 0.34 C ATOM 245 C ALA A 24 4.821 4.485 0.289 1.00 0.29 C ATOM 246 O ALA A 24 5.708 4.174 -0.507 1.00 0.29 O ATOM 247 CB ALA A 24 4.786 3.302 2.489 1.00 0.41 C ATOM 0 H ALA A 24 3.497 5.412 2.864 1.00 0.41 H new ATOM 0 HA ALA A 24 6.160 4.829 1.916 1.00 0.34 H new ATOM 0 HB1 ALA A 24 5.373 2.497 2.046 1.00 0.41 H new ATOM 0 HB2 ALA A 24 5.034 3.393 3.546 1.00 0.41 H new ATOM 0 HB3 ALA A 24 3.725 3.077 2.384 1.00 0.41 H new ATOM 253 N GLY A 25 3.578 4.741 -0.084 1.00 0.34 N ATOM 254 CA GLY A 25 3.196 4.660 -1.472 1.00 0.39 C ATOM 255 C GLY A 25 1.750 5.038 -1.686 1.00 0.46 C ATOM 256 O GLY A 25 1.081 5.514 -0.768 1.00 0.61 O ATOM 0 H GLY A 25 2.826 5.004 0.554 1.00 0.34 H new ATOM 0 HA2 GLY A 25 3.834 5.318 -2.062 1.00 0.39 H new ATOM 0 HA3 GLY A 25 3.363 3.646 -1.835 1.00 0.39 H new ATOM 260 N THR A 26 1.273 4.829 -2.897 1.00 0.43 N ATOM 261 CA THR A 26 -0.104 5.117 -3.237 1.00 0.52 C ATOM 262 C THR A 26 -0.964 3.875 -3.034 1.00 0.36 C ATOM 263 O THR A 26 -0.582 2.773 -3.443 1.00 0.28 O ATOM 264 CB THR A 26 -0.225 5.570 -4.699 1.00 0.69 C ATOM 265 OG1 THR A 26 0.847 6.467 -5.030 1.00 0.87 O ATOM 266 CG2 THR A 26 -1.560 6.257 -4.953 1.00 0.82 C ATOM 0 H THR A 26 1.827 4.457 -3.669 1.00 0.43 H new ATOM 0 HA THR A 26 -0.448 5.920 -2.585 1.00 0.52 H new ATOM 0 HB THR A 26 -0.166 4.683 -5.330 1.00 0.69 H new ATOM 0 HG1 THR A 26 0.604 6.989 -5.823 1.00 0.87 H new ATOM 0 HG21 THR A 26 -1.617 6.567 -5.996 1.00 0.82 H new ATOM 0 HG22 THR A 26 -2.373 5.564 -4.735 1.00 0.82 H new ATOM 0 HG23 THR A 26 -1.647 7.132 -4.309 1.00 0.82 H new ATOM 274 N CYS A 27 -2.108 4.052 -2.399 1.00 0.39 N ATOM 275 CA CYS A 27 -3.043 2.959 -2.198 1.00 0.33 C ATOM 276 C CYS A 27 -4.232 3.133 -3.133 1.00 0.29 C ATOM 277 O CYS A 27 -5.026 4.064 -2.982 1.00 0.32 O ATOM 278 CB CYS A 27 -3.511 2.930 -0.738 1.00 0.45 C ATOM 279 SG CYS A 27 -4.622 1.540 -0.323 1.00 1.42 S ATOM 0 H CYS A 27 -2.413 4.945 -2.012 1.00 0.39 H new ATOM 0 HA CYS A 27 -2.550 2.013 -2.421 1.00 0.33 H new ATOM 0 HB2 CYS A 27 -2.635 2.884 -0.090 1.00 0.45 H new ATOM 0 HB3 CYS A 27 -4.023 3.866 -0.516 1.00 0.45 H new ATOM 284 N LYS A 28 -4.355 2.231 -4.093 1.00 0.35 N ATOM 285 CA LYS A 28 -5.429 2.299 -5.067 1.00 0.43 C ATOM 286 C LYS A 28 -6.339 1.089 -4.927 1.00 0.39 C ATOM 287 O LYS A 28 -5.963 -0.030 -5.272 1.00 0.39 O ATOM 288 CB LYS A 28 -4.856 2.385 -6.489 1.00 0.58 C ATOM 289 CG LYS A 28 -5.898 2.234 -7.595 1.00 0.83 C ATOM 290 CD LYS A 28 -6.907 3.372 -7.605 1.00 1.17 C ATOM 291 CE LYS A 28 -6.282 4.678 -8.065 1.00 1.52 C ATOM 292 NZ LYS A 28 -7.293 5.762 -8.168 1.00 1.92 N ATOM 0 H LYS A 28 -3.722 1.441 -4.218 1.00 0.35 H new ATOM 0 HA LYS A 28 -6.017 3.198 -4.881 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -4.353 3.344 -6.608 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -4.099 1.611 -6.611 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -5.394 2.191 -8.561 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -6.424 1.288 -7.467 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -7.737 3.115 -8.263 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -7.320 3.500 -6.605 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -5.500 4.974 -7.365 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -5.804 4.532 -9.034 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -6.831 6.638 -8.484 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 -8.026 5.489 -8.854 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 -7.731 5.918 -7.238 1.00 1.92 H new ATOM 306 N GLU A 29 -7.527 1.315 -4.401 1.00 0.40 N ATOM 307 CA GLU A 29 -8.494 0.248 -4.240 1.00 0.41 C ATOM 308 C GLU A 29 -9.094 -0.116 -5.587 1.00 0.42 C ATOM 309 O GLU A 29 -9.715 0.713 -6.252 1.00 0.49 O ATOM 310 CB GLU A 29 -9.575 0.674 -3.250 1.00 0.50 C ATOM 311 CG GLU A 29 -9.018 0.930 -1.861 1.00 0.60 C ATOM 312 CD GLU A 29 -9.995 1.630 -0.949 1.00 0.85 C ATOM 313 OE1 GLU A 29 -10.104 2.869 -1.029 1.00 1.12 O ATOM 314 OE2 GLU A 29 -10.681 0.935 -0.170 1.00 1.66 O ATOM 0 H GLU A 29 -7.845 2.229 -4.078 1.00 0.40 H new ATOM 0 HA GLU A 29 -7.997 -0.637 -3.842 1.00 0.41 H new ATOM 0 HB2 GLU A 29 -10.063 1.578 -3.615 1.00 0.50 H new ATOM 0 HB3 GLU A 29 -10.340 -0.101 -3.195 1.00 0.50 H new ATOM 0 HG2 GLU A 29 -8.728 -0.020 -1.412 1.00 0.60 H new ATOM 0 HG3 GLU A 29 -8.113 1.532 -1.945 1.00 0.60 H new ATOM 321 N THR A 30 -8.891 -1.355 -5.989 1.00 0.39 N ATOM 322 CA THR A 30 -9.322 -1.815 -7.291 1.00 0.45 C ATOM 323 C THR A 30 -10.485 -2.790 -7.151 1.00 0.46 C ATOM 324 O THR A 30 -10.970 -3.024 -6.044 1.00 0.46 O ATOM 325 CB THR A 30 -8.162 -2.503 -8.041 1.00 0.53 C ATOM 326 OG1 THR A 30 -7.679 -3.621 -7.281 1.00 0.52 O ATOM 327 CG2 THR A 30 -7.017 -1.529 -8.283 1.00 0.62 C ATOM 0 H THR A 30 -8.425 -2.066 -5.425 1.00 0.39 H new ATOM 0 HA THR A 30 -9.646 -0.946 -7.864 1.00 0.45 H new ATOM 0 HB THR A 30 -8.540 -2.848 -9.003 1.00 0.53 H new ATOM 0 HG1 THR A 30 -6.944 -4.053 -7.765 1.00 0.52 H new ATOM 0 HG21 THR A 30 -6.212 -2.038 -8.813 1.00 0.62 H new ATOM 0 HG22 THR A 30 -7.373 -0.691 -8.882 1.00 0.62 H new ATOM 0 HG23 THR A 30 -6.645 -1.160 -7.327 1.00 0.62 H new ATOM 335 N ASN A 31 -10.919 -3.370 -8.257 1.00 0.54 N ATOM 336 CA ASN A 31 -11.985 -4.363 -8.217 1.00 0.64 C ATOM 337 C ASN A 31 -11.436 -5.687 -7.703 1.00 0.60 C ATOM 338 O ASN A 31 -12.184 -6.566 -7.270 1.00 0.89 O ATOM 339 CB ASN A 31 -12.618 -4.541 -9.598 1.00 0.86 C ATOM 340 CG ASN A 31 -13.300 -3.274 -10.084 1.00 1.71 C ATOM 341 OD1 ASN A 31 -14.474 -3.039 -9.798 1.00 2.43 O ATOM 342 ND2 ASN A 31 -12.575 -2.447 -10.821 1.00 2.38 N ATOM 0 H ASN A 31 -10.554 -3.174 -9.189 1.00 0.54 H new ATOM 0 HA ASN A 31 -12.762 -4.014 -7.537 1.00 0.64 H new ATOM 0 HB2 ASN A 31 -11.850 -4.835 -10.313 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.346 -5.352 -9.561 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -12.987 -1.582 -11.172 1.00 2.38 H new ATOM 0 HD22 ASN A 31 -11.605 -2.675 -11.038 1.00 2.38 H new ATOM 349 N SER A 32 -10.117 -5.816 -7.743 1.00 0.60 N ATOM 350 CA SER A 32 -9.440 -6.978 -7.189 1.00 0.65 C ATOM 351 C SER A 32 -9.117 -6.739 -5.713 1.00 0.53 C ATOM 352 O SER A 32 -8.548 -7.596 -5.038 1.00 0.79 O ATOM 353 CB SER A 32 -8.157 -7.271 -7.974 1.00 0.82 C ATOM 354 OG SER A 32 -7.537 -8.468 -7.531 1.00 1.44 O ATOM 0 H SER A 32 -9.492 -5.124 -8.157 1.00 0.60 H new ATOM 0 HA SER A 32 -10.099 -7.842 -7.270 1.00 0.65 H new ATOM 0 HB2 SER A 32 -8.390 -7.352 -9.036 1.00 0.82 H new ATOM 0 HB3 SER A 32 -7.463 -6.438 -7.863 1.00 0.82 H new ATOM 0 HG SER A 32 -7.775 -8.633 -6.595 1.00 1.44 H new ATOM 360 N GLY A 33 -9.473 -5.558 -5.231 1.00 0.36 N ATOM 361 CA GLY A 33 -9.254 -5.218 -3.845 1.00 0.37 C ATOM 362 C GLY A 33 -8.452 -3.949 -3.719 1.00 0.31 C ATOM 363 O GLY A 33 -9.008 -2.874 -3.498 1.00 0.35 O ATOM 0 H GLY A 33 -9.914 -4.823 -5.784 1.00 0.36 H new ATOM 0 HA2 GLY A 33 -10.213 -5.098 -3.341 1.00 0.37 H new ATOM 0 HA3 GLY A 33 -8.731 -6.034 -3.345 1.00 0.37 H new ATOM 367 N TYR A 34 -7.145 -4.068 -3.881 1.00 0.28 N ATOM 368 CA TYR A 34 -6.260 -2.922 -3.827 1.00 0.25 C ATOM 369 C TYR A 34 -4.982 -3.212 -4.592 1.00 0.30 C ATOM 370 O TYR A 34 -4.605 -4.372 -4.764 1.00 0.38 O ATOM 371 CB TYR A 34 -5.915 -2.566 -2.374 1.00 0.24 C ATOM 372 CG TYR A 34 -5.177 -3.666 -1.641 1.00 0.27 C ATOM 373 CD1 TYR A 34 -3.791 -3.752 -1.690 1.00 0.34 C ATOM 374 CD2 TYR A 34 -5.865 -4.613 -0.893 1.00 0.40 C ATOM 375 CE1 TYR A 34 -3.115 -4.745 -1.008 1.00 0.43 C ATOM 376 CE2 TYR A 34 -5.196 -5.609 -0.213 1.00 0.48 C ATOM 377 CZ TYR A 34 -3.819 -5.697 -0.314 1.00 0.48 C ATOM 378 OH TYR A 34 -3.148 -6.657 0.409 1.00 0.57 O ATOM 0 H TYR A 34 -6.672 -4.956 -4.052 1.00 0.28 H new ATOM 0 HA TYR A 34 -6.774 -2.076 -4.284 1.00 0.25 H new ATOM 0 HB2 TYR A 34 -5.306 -1.662 -2.365 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -6.835 -2.336 -1.836 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -3.234 -3.031 -2.270 1.00 0.34 H new ATOM 0 HD2 TYR A 34 -6.943 -4.568 -0.843 1.00 0.40 H new ATOM 0 HE1 TYR A 34 -2.035 -4.772 -1.021 1.00 0.43 H new ATOM 0 HE2 TYR A 34 -5.743 -6.315 0.394 1.00 0.48 H new ATOM 0 HH TYR A 34 -3.795 -7.253 0.841 1.00 0.57 H new ATOM 388 N ILE A 35 -4.345 -2.162 -5.068 1.00 0.32 N ATOM 389 CA ILE A 35 -2.983 -2.249 -5.561 1.00 0.36 C ATOM 390 C ILE A 35 -2.116 -1.268 -4.783 1.00 0.29 C ATOM 391 O ILE A 35 -2.596 -0.217 -4.344 1.00 0.29 O ATOM 392 CB ILE A 35 -2.871 -1.950 -7.078 1.00 0.48 C ATOM 393 CG1 ILE A 35 -3.293 -0.510 -7.383 1.00 0.50 C ATOM 394 CG2 ILE A 35 -3.708 -2.936 -7.881 1.00 0.59 C ATOM 395 CD1 ILE A 35 -2.951 -0.056 -8.789 1.00 0.64 C ATOM 0 H ILE A 35 -4.753 -1.229 -5.125 1.00 0.32 H new ATOM 0 HA ILE A 35 -2.643 -3.274 -5.415 1.00 0.36 H new ATOM 0 HB ILE A 35 -1.828 -2.066 -7.371 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -4.369 -0.417 -7.233 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -2.813 0.158 -6.669 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -3.617 -2.710 -8.943 1.00 0.59 H new ATOM 0 HG22 ILE A 35 -3.355 -3.950 -7.694 1.00 0.59 H new ATOM 0 HG23 ILE A 35 -4.753 -2.855 -7.581 1.00 0.59 H new ATOM 0 HD11 ILE A 35 -3.281 0.973 -8.929 1.00 0.64 H new ATOM 0 HD12 ILE A 35 -1.873 -0.115 -8.938 1.00 0.64 H new ATOM 0 HD13 ILE A 35 -3.453 -0.700 -9.511 1.00 0.64 H new ATOM 407 N CYS A 36 -0.851 -1.604 -4.607 1.00 0.26 N ATOM 408 CA CYS A 36 0.049 -0.765 -3.835 1.00 0.23 C ATOM 409 C CYS A 36 1.223 -0.313 -4.682 1.00 0.25 C ATOM 410 O CYS A 36 1.953 -1.127 -5.250 1.00 0.29 O ATOM 411 CB CYS A 36 0.546 -1.509 -2.594 1.00 0.26 C ATOM 412 SG CYS A 36 -0.682 -1.605 -1.259 1.00 0.26 S ATOM 0 H CYS A 36 -0.424 -2.449 -4.987 1.00 0.26 H new ATOM 0 HA CYS A 36 -0.504 0.118 -3.514 1.00 0.23 H new ATOM 0 HB2 CYS A 36 0.838 -2.519 -2.880 1.00 0.26 H new ATOM 0 HB3 CYS A 36 1.441 -1.013 -2.218 1.00 0.26 H new ATOM 417 N ARG A 37 1.386 0.995 -4.771 1.00 0.26 N ATOM 418 CA ARG A 37 2.447 1.584 -5.565 1.00 0.30 C ATOM 419 C ARG A 37 3.412 2.343 -4.660 1.00 0.25 C ATOM 420 O ARG A 37 3.127 3.466 -4.255 1.00 0.28 O ATOM 421 CB ARG A 37 1.844 2.531 -6.582 1.00 0.38 C ATOM 422 CG ARG A 37 2.807 2.913 -7.678 1.00 0.83 C ATOM 423 CD ARG A 37 2.362 4.189 -8.340 1.00 1.27 C ATOM 424 NE ARG A 37 2.430 5.313 -7.404 1.00 2.34 N ATOM 425 CZ ARG A 37 3.550 5.975 -7.118 1.00 3.30 C ATOM 426 NH1 ARG A 37 4.670 5.710 -7.784 1.00 3.45 N ATOM 427 NH2 ARG A 37 3.541 6.909 -6.174 1.00 4.43 N ATOM 0 H ARG A 37 0.790 1.674 -4.298 1.00 0.26 H new ATOM 0 HA ARG A 37 2.994 0.795 -6.082 1.00 0.30 H new ATOM 0 HB2 ARG A 37 0.964 2.066 -7.026 1.00 0.38 H new ATOM 0 HB3 ARG A 37 1.505 3.433 -6.073 1.00 0.38 H new ATOM 0 HG2 ARG A 37 3.808 3.039 -7.265 1.00 0.83 H new ATOM 0 HG3 ARG A 37 2.865 2.113 -8.416 1.00 0.83 H new ATOM 0 HD2 ARG A 37 2.991 4.393 -9.206 1.00 1.27 H new ATOM 0 HD3 ARG A 37 1.342 4.077 -8.707 1.00 1.27 H new ATOM 0 HE ARG A 37 1.568 5.607 -6.944 1.00 2.34 H new ATOM 0 HH11 ARG A 37 4.672 4.999 -8.515 1.00 3.45 H new ATOM 0 HH12 ARG A 37 5.527 6.218 -7.564 1.00 3.45 H new ATOM 0 HH21 ARG A 37 2.679 7.117 -5.671 1.00 4.43 H new ATOM 0 HH22 ARG A 37 4.397 7.418 -5.952 1.00 4.43 H new ATOM 441 N CYS A 38 4.544 1.734 -4.348 1.00 0.23 N ATOM 442 CA CYS A 38 5.495 2.332 -3.415 1.00 0.20 C ATOM 443 C CYS A 38 6.306 3.439 -4.066 1.00 0.22 C ATOM 444 O CYS A 38 6.478 3.473 -5.286 1.00 0.27 O ATOM 445 CB CYS A 38 6.442 1.268 -2.859 1.00 0.22 C ATOM 446 SG CYS A 38 5.614 -0.002 -1.860 1.00 0.24 S ATOM 0 H CYS A 38 4.830 0.830 -4.723 1.00 0.23 H new ATOM 0 HA CYS A 38 4.915 2.767 -2.601 1.00 0.20 H new ATOM 0 HB2 CYS A 38 6.958 0.785 -3.689 1.00 0.22 H new ATOM 0 HB3 CYS A 38 7.204 1.755 -2.251 1.00 0.22 H new ATOM 451 N ASN A 39 6.788 4.348 -3.230 1.00 0.24 N ATOM 452 CA ASN A 39 7.676 5.412 -3.668 1.00 0.28 C ATOM 453 C ASN A 39 9.092 4.868 -3.823 1.00 0.28 C ATOM 454 O ASN A 39 9.327 3.686 -3.571 1.00 0.34 O ATOM 455 CB ASN A 39 7.645 6.569 -2.669 1.00 0.33 C ATOM 456 CG ASN A 39 6.300 7.277 -2.635 1.00 0.42 C ATOM 457 OD1 ASN A 39 5.623 7.402 -3.655 1.00 0.63 O ATOM 458 ND2 ASN A 39 5.900 7.729 -1.456 1.00 0.71 N ATOM 0 H ASN A 39 6.575 4.368 -2.233 1.00 0.24 H new ATOM 0 HA ASN A 39 7.339 5.788 -4.634 1.00 0.28 H new ATOM 0 HB2 ASN A 39 7.877 6.191 -1.674 1.00 0.33 H new ATOM 0 HB3 ASN A 39 8.423 7.287 -2.927 1.00 0.33 H new ATOM 0 HD21 ASN A 39 5.000 8.201 -1.369 1.00 0.71 H new ATOM 0 HD22 ASN A 39 6.492 7.605 -0.635 1.00 0.71 H new ATOM 465 N GLN A 40 10.038 5.710 -4.211 1.00 0.41 N ATOM 466 CA GLN A 40 11.376 5.231 -4.546 1.00 0.50 C ATOM 467 C GLN A 40 12.077 4.629 -3.332 1.00 0.52 C ATOM 468 O GLN A 40 12.755 3.603 -3.434 1.00 1.12 O ATOM 469 CB GLN A 40 12.223 6.362 -5.136 1.00 0.72 C ATOM 470 CG GLN A 40 13.542 5.884 -5.728 1.00 1.36 C ATOM 471 CD GLN A 40 13.351 4.987 -6.942 1.00 2.23 C ATOM 472 OE1 GLN A 40 14.144 4.081 -7.194 1.00 2.90 O ATOM 473 NE2 GLN A 40 12.305 5.243 -7.714 1.00 2.87 N ATOM 0 H GLN A 40 9.909 6.718 -4.302 1.00 0.41 H new ATOM 0 HA GLN A 40 11.264 4.446 -5.294 1.00 0.50 H new ATOM 0 HB2 GLN A 40 11.649 6.870 -5.911 1.00 0.72 H new ATOM 0 HB3 GLN A 40 12.428 7.097 -4.357 1.00 0.72 H new ATOM 0 HG2 GLN A 40 14.143 6.748 -6.011 1.00 1.36 H new ATOM 0 HG3 GLN A 40 14.102 5.342 -4.966 1.00 1.36 H new ATOM 0 HE21 GLN A 40 11.668 6.003 -7.474 1.00 2.87 H new ATOM 0 HE22 GLN A 40 12.137 4.680 -8.548 1.00 2.87 H new ATOM 482 N GLY A 41 11.891 5.249 -2.181 1.00 0.48 N ATOM 483 CA GLY A 41 12.532 4.770 -0.976 1.00 0.42 C ATOM 484 C GLY A 41 11.804 3.595 -0.352 1.00 0.33 C ATOM 485 O GLY A 41 12.163 3.143 0.738 1.00 0.38 O ATOM 0 H GLY A 41 11.307 6.076 -2.058 1.00 0.48 H new ATOM 0 HA2 GLY A 41 13.556 4.476 -1.206 1.00 0.42 H new ATOM 0 HA3 GLY A 41 12.589 5.583 -0.252 1.00 0.42 H new ATOM 489 N TYR A 42 10.792 3.082 -1.040 1.00 0.25 N ATOM 490 CA TYR A 42 9.982 1.998 -0.506 1.00 0.21 C ATOM 491 C TYR A 42 9.873 0.855 -1.508 1.00 0.22 C ATOM 492 O TYR A 42 10.133 1.037 -2.697 1.00 0.26 O ATOM 493 CB TYR A 42 8.598 2.516 -0.122 1.00 0.19 C ATOM 494 CG TYR A 42 8.625 3.507 1.023 1.00 0.24 C ATOM 495 CD1 TYR A 42 8.701 3.068 2.339 1.00 0.30 C ATOM 496 CD2 TYR A 42 8.587 4.876 0.789 1.00 0.34 C ATOM 497 CE1 TYR A 42 8.735 3.965 3.390 1.00 0.39 C ATOM 498 CE2 TYR A 42 8.624 5.778 1.835 1.00 0.42 C ATOM 499 CZ TYR A 42 8.697 5.317 3.132 1.00 0.43 C ATOM 500 OH TYR A 42 8.738 6.215 4.173 1.00 0.54 O ATOM 0 H TYR A 42 10.514 3.400 -1.968 1.00 0.25 H new ATOM 0 HA TYR A 42 10.469 1.611 0.389 1.00 0.21 H new ATOM 0 HB2 TYR A 42 8.141 2.988 -0.991 1.00 0.19 H new ATOM 0 HB3 TYR A 42 7.965 1.672 0.152 1.00 0.19 H new ATOM 0 HD1 TYR A 42 8.734 2.008 2.544 1.00 0.30 H new ATOM 0 HD2 TYR A 42 8.528 5.241 -0.226 1.00 0.34 H new ATOM 0 HE1 TYR A 42 8.791 3.608 4.408 1.00 0.39 H new ATOM 0 HE2 TYR A 42 8.596 6.839 1.637 1.00 0.42 H new ATOM 0 HH TYR A 42 9.669 6.366 4.438 1.00 0.54 H new ATOM 510 N ARG A 43 9.501 -0.321 -1.026 1.00 0.24 N ATOM 511 CA ARG A 43 9.433 -1.510 -1.867 1.00 0.31 C ATOM 512 C ARG A 43 8.243 -2.378 -1.475 1.00 0.24 C ATOM 513 O ARG A 43 7.694 -2.242 -0.379 1.00 0.21 O ATOM 514 CB ARG A 43 10.731 -2.315 -1.747 1.00 0.49 C ATOM 515 CG ARG A 43 10.931 -2.973 -0.390 1.00 0.57 C ATOM 516 CD ARG A 43 12.258 -3.708 -0.327 1.00 0.83 C ATOM 517 NE ARG A 43 12.367 -4.572 0.846 1.00 1.68 N ATOM 518 CZ ARG A 43 13.415 -4.595 1.670 1.00 2.22 C ATOM 519 NH1 ARG A 43 14.433 -3.758 1.491 1.00 2.20 N ATOM 520 NH2 ARG A 43 13.440 -5.461 2.671 1.00 3.05 N ATOM 0 H ARG A 43 9.240 -0.479 -0.053 1.00 0.24 H new ATOM 0 HA ARG A 43 9.305 -1.193 -2.902 1.00 0.31 H new ATOM 0 HB2 ARG A 43 10.740 -3.086 -2.517 1.00 0.49 H new ATOM 0 HB3 ARG A 43 11.575 -1.655 -1.947 1.00 0.49 H new ATOM 0 HG2 ARG A 43 10.894 -2.216 0.393 1.00 0.57 H new ATOM 0 HG3 ARG A 43 10.116 -3.671 -0.198 1.00 0.57 H new ATOM 0 HD2 ARG A 43 12.380 -4.309 -1.228 1.00 0.83 H new ATOM 0 HD3 ARG A 43 13.071 -2.982 -0.316 1.00 0.83 H new ATOM 0 HE ARG A 43 11.589 -5.200 1.048 1.00 1.68 H new ATOM 0 HH11 ARG A 43 14.416 -3.092 0.719 1.00 2.20 H new ATOM 0 HH12 ARG A 43 15.231 -3.782 2.126 1.00 2.20 H new ATOM 0 HH21 ARG A 43 12.661 -6.105 2.808 1.00 3.05 H new ATOM 0 HH22 ARG A 43 14.238 -5.484 3.305 1.00 3.05 H new ATOM 534 N ILE A 44 7.861 -3.278 -2.373 1.00 0.29 N ATOM 535 CA ILE A 44 6.723 -4.155 -2.151 1.00 0.27 C ATOM 536 C ILE A 44 7.134 -5.387 -1.359 1.00 0.28 C ATOM 537 O ILE A 44 8.103 -6.068 -1.696 1.00 0.33 O ATOM 538 CB ILE A 44 6.065 -4.588 -3.487 1.00 0.32 C ATOM 539 CG1 ILE A 44 5.371 -3.395 -4.152 1.00 0.33 C ATOM 540 CG2 ILE A 44 5.073 -5.726 -3.273 1.00 0.34 C ATOM 541 CD1 ILE A 44 4.276 -2.780 -3.307 1.00 0.28 C ATOM 0 H ILE A 44 8.329 -3.418 -3.269 1.00 0.29 H new ATOM 0 HA ILE A 44 5.990 -3.589 -1.576 1.00 0.27 H new ATOM 0 HB ILE A 44 6.854 -4.950 -4.146 1.00 0.32 H new ATOM 0 HG12 ILE A 44 6.116 -2.632 -4.377 1.00 0.33 H new ATOM 0 HG13 ILE A 44 4.947 -3.717 -5.103 1.00 0.33 H new ATOM 0 HG21 ILE A 44 4.629 -6.006 -4.228 1.00 0.34 H new ATOM 0 HG22 ILE A 44 5.591 -6.585 -2.848 1.00 0.34 H new ATOM 0 HG23 ILE A 44 4.288 -5.401 -2.590 1.00 0.34 H new ATOM 0 HD11 ILE A 44 3.831 -1.942 -3.843 1.00 0.28 H new ATOM 0 HD12 ILE A 44 3.510 -3.528 -3.103 1.00 0.28 H new ATOM 0 HD13 ILE A 44 4.698 -2.427 -2.366 1.00 0.28 H new ATOM 553 N SER A 45 6.394 -5.650 -0.303 1.00 0.28 N ATOM 554 CA SER A 45 6.625 -6.799 0.551 1.00 0.33 C ATOM 555 C SER A 45 5.294 -7.491 0.834 1.00 0.32 C ATOM 556 O SER A 45 4.242 -6.857 0.796 1.00 0.31 O ATOM 557 CB SER A 45 7.292 -6.341 1.856 1.00 0.39 C ATOM 558 OG SER A 45 7.464 -7.416 2.765 1.00 0.49 O ATOM 0 H SER A 45 5.609 -5.069 -0.010 1.00 0.28 H new ATOM 0 HA SER A 45 7.288 -7.507 0.055 1.00 0.33 H new ATOM 0 HB2 SER A 45 8.261 -5.896 1.632 1.00 0.39 H new ATOM 0 HB3 SER A 45 6.685 -5.565 2.322 1.00 0.39 H new ATOM 0 HG SER A 45 7.893 -7.088 3.583 1.00 0.49 H new ATOM 564 N LEU A 46 5.330 -8.791 1.080 1.00 0.45 N ATOM 565 CA LEU A 46 4.122 -9.526 1.428 1.00 0.48 C ATOM 566 C LEU A 46 4.082 -9.770 2.930 1.00 0.62 C ATOM 567 O LEU A 46 5.109 -10.017 3.562 1.00 0.88 O ATOM 568 CB LEU A 46 4.054 -10.857 0.668 1.00 0.66 C ATOM 569 CG LEU A 46 4.086 -10.738 -0.859 1.00 0.71 C ATOM 570 CD1 LEU A 46 4.060 -12.118 -1.501 1.00 0.95 C ATOM 571 CD2 LEU A 46 2.920 -9.894 -1.358 1.00 0.66 C ATOM 0 H LEU A 46 6.177 -9.358 1.046 1.00 0.45 H new ATOM 0 HA LEU A 46 3.256 -8.929 1.140 1.00 0.48 H new ATOM 0 HB2 LEU A 46 4.889 -11.481 0.985 1.00 0.66 H new ATOM 0 HB3 LEU A 46 3.140 -11.376 0.957 1.00 0.66 H new ATOM 0 HG LEU A 46 5.013 -10.241 -1.145 1.00 0.71 H new ATOM 0 HD11 LEU A 46 4.083 -12.015 -2.586 1.00 0.95 H new ATOM 0 HD12 LEU A 46 4.928 -12.689 -1.172 1.00 0.95 H new ATOM 0 HD13 LEU A 46 3.150 -12.640 -1.205 1.00 0.95 H new ATOM 0 HD21 LEU A 46 2.962 -9.822 -2.445 1.00 0.66 H new ATOM 0 HD22 LEU A 46 1.980 -10.360 -1.061 1.00 0.66 H new ATOM 0 HD23 LEU A 46 2.983 -8.895 -0.926 1.00 0.66 H new ATOM 583 N ASP A 47 2.879 -9.687 3.487 1.00 0.57 N ATOM 584 CA ASP A 47 2.665 -9.779 4.933 1.00 0.81 C ATOM 585 C ASP A 47 3.050 -11.148 5.480 1.00 0.98 C ATOM 586 O ASP A 47 3.301 -11.300 6.674 1.00 1.62 O ATOM 587 CB ASP A 47 1.193 -9.530 5.260 1.00 0.94 C ATOM 588 CG ASP A 47 0.327 -10.731 4.919 1.00 1.86 C ATOM 589 OD1 ASP A 47 0.303 -11.150 3.747 1.00 2.52 O ATOM 590 OD2 ASP A 47 -0.351 -11.258 5.825 1.00 2.20 O ATOM 0 H ASP A 47 2.021 -9.554 2.951 1.00 0.57 H new ATOM 0 HA ASP A 47 3.299 -9.024 5.398 1.00 0.81 H new ATOM 0 HB2 ASP A 47 1.091 -9.298 6.320 1.00 0.94 H new ATOM 0 HB3 ASP A 47 0.840 -8.659 4.707 1.00 0.94 H new ATOM 595 N GLY A 48 3.068 -12.140 4.608 1.00 1.00 N ATOM 596 CA GLY A 48 3.327 -13.495 5.032 1.00 1.17 C ATOM 597 C GLY A 48 2.280 -14.450 4.506 1.00 1.17 C ATOM 598 O GLY A 48 2.529 -15.647 4.383 1.00 1.42 O ATOM 0 H GLY A 48 2.907 -12.029 3.607 1.00 1.00 H new ATOM 0 HA2 GLY A 48 4.312 -13.805 4.682 1.00 1.17 H new ATOM 0 HA3 GLY A 48 3.347 -13.539 6.121 1.00 1.17 H new ATOM 602 N THR A 49 1.101 -13.918 4.199 1.00 0.98 N ATOM 603 CA THR A 49 0.051 -14.713 3.589 1.00 1.04 C ATOM 604 C THR A 49 -0.094 -14.338 2.117 1.00 0.95 C ATOM 605 O THR A 49 -0.546 -15.141 1.299 1.00 1.19 O ATOM 606 CB THR A 49 -1.298 -14.541 4.318 1.00 1.07 C ATOM 607 OG1 THR A 49 -1.660 -13.156 4.393 1.00 0.94 O ATOM 608 CG2 THR A 49 -1.236 -15.126 5.722 1.00 1.27 C ATOM 0 H THR A 49 0.853 -12.942 4.364 1.00 0.98 H new ATOM 0 HA THR A 49 0.336 -15.762 3.672 1.00 1.04 H new ATOM 0 HB THR A 49 -2.054 -15.078 3.745 1.00 1.07 H new ATOM 0 HG1 THR A 49 -1.122 -12.714 5.083 1.00 0.94 H new ATOM 0 HG21 THR A 49 -2.199 -14.992 6.215 1.00 1.27 H new ATOM 0 HG22 THR A 49 -1.003 -16.189 5.663 1.00 1.27 H new ATOM 0 HG23 THR A 49 -0.461 -14.616 6.295 1.00 1.27 H new ATOM 616 N GLY A 50 0.299 -13.110 1.792 1.00 0.79 N ATOM 617 CA GLY A 50 0.313 -12.674 0.411 1.00 0.74 C ATOM 618 C GLY A 50 -0.351 -11.329 0.210 1.00 0.63 C ATOM 619 O GLY A 50 -0.677 -10.956 -0.915 1.00 0.70 O ATOM 0 H GLY A 50 0.609 -12.408 2.465 1.00 0.79 H new ATOM 0 HA2 GLY A 50 1.345 -12.620 0.063 1.00 0.74 H new ATOM 0 HA3 GLY A 50 -0.192 -13.418 -0.205 1.00 0.74 H new ATOM 623 N ASN A 51 -0.557 -10.600 1.296 1.00 0.55 N ATOM 624 CA ASN A 51 -1.081 -9.245 1.210 1.00 0.50 C ATOM 625 C ASN A 51 0.008 -8.313 0.714 1.00 0.39 C ATOM 626 O ASN A 51 1.147 -8.376 1.185 1.00 0.34 O ATOM 627 CB ASN A 51 -1.596 -8.756 2.568 1.00 0.59 C ATOM 628 CG ASN A 51 -2.856 -9.470 3.016 1.00 0.89 C ATOM 629 OD1 ASN A 51 -3.969 -9.081 2.658 1.00 1.50 O ATOM 630 ND2 ASN A 51 -2.693 -10.509 3.812 1.00 1.34 N ATOM 0 H ASN A 51 -0.370 -10.923 2.245 1.00 0.55 H new ATOM 0 HA ASN A 51 -1.918 -9.248 0.512 1.00 0.50 H new ATOM 0 HB2 ASN A 51 -0.818 -8.899 3.318 1.00 0.59 H new ATOM 0 HB3 ASN A 51 -1.792 -7.685 2.512 1.00 0.59 H new ATOM 0 HD21 ASN A 51 -3.506 -11.022 4.154 1.00 1.34 H new ATOM 0 HD22 ASN A 51 -1.754 -10.800 4.086 1.00 1.34 H new ATOM 637 N VAL A 52 -0.337 -7.455 -0.231 1.00 0.39 N ATOM 638 CA VAL A 52 0.636 -6.545 -0.810 1.00 0.34 C ATOM 639 C VAL A 52 0.849 -5.363 0.122 1.00 0.30 C ATOM 640 O VAL A 52 -0.035 -4.530 0.299 1.00 0.33 O ATOM 641 CB VAL A 52 0.191 -6.034 -2.198 1.00 0.41 C ATOM 642 CG1 VAL A 52 1.273 -5.170 -2.831 1.00 0.39 C ATOM 643 CG2 VAL A 52 -0.165 -7.196 -3.108 1.00 0.50 C ATOM 0 H VAL A 52 -1.279 -7.370 -0.612 1.00 0.39 H new ATOM 0 HA VAL A 52 1.569 -7.094 -0.939 1.00 0.34 H new ATOM 0 HB VAL A 52 -0.698 -5.419 -2.062 1.00 0.41 H new ATOM 0 HG11 VAL A 52 0.936 -4.822 -3.808 1.00 0.39 H new ATOM 0 HG12 VAL A 52 1.475 -4.312 -2.190 1.00 0.39 H new ATOM 0 HG13 VAL A 52 2.184 -5.757 -2.949 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -0.476 -6.814 -4.081 1.00 0.50 H new ATOM 0 HG22 VAL A 52 0.705 -7.841 -3.232 1.00 0.50 H new ATOM 0 HG23 VAL A 52 -0.980 -7.768 -2.665 1.00 0.50 H new ATOM 653 N THR A 53 2.022 -5.306 0.724 1.00 0.25 N ATOM 654 CA THR A 53 2.339 -4.250 1.662 1.00 0.23 C ATOM 655 C THR A 53 3.563 -3.488 1.186 1.00 0.21 C ATOM 656 O THR A 53 4.230 -3.897 0.231 1.00 0.23 O ATOM 657 CB THR A 53 2.583 -4.809 3.086 1.00 0.23 C ATOM 658 OG1 THR A 53 3.707 -5.698 3.091 1.00 1.05 O ATOM 659 CG2 THR A 53 1.360 -5.559 3.595 1.00 1.02 C ATOM 0 H THR A 53 2.772 -5.982 0.578 1.00 0.25 H new ATOM 0 HA THR A 53 1.485 -3.575 1.710 1.00 0.23 H new ATOM 0 HB THR A 53 2.782 -3.961 3.741 1.00 0.23 H new ATOM 0 HG1 THR A 53 3.905 -5.981 2.174 1.00 1.05 H new ATOM 0 HG21 THR A 53 1.558 -5.941 4.596 1.00 1.02 H new ATOM 0 HG22 THR A 53 0.506 -4.883 3.627 1.00 1.02 H new ATOM 0 HG23 THR A 53 1.139 -6.391 2.926 1.00 1.02 H new ATOM 667 N CYS A 54 3.859 -2.387 1.846 1.00 0.24 N ATOM 668 CA CYS A 54 4.955 -1.538 1.431 1.00 0.21 C ATOM 669 C CYS A 54 5.895 -1.295 2.597 1.00 0.24 C ATOM 670 O CYS A 54 5.462 -0.938 3.692 1.00 0.29 O ATOM 671 CB CYS A 54 4.417 -0.211 0.898 1.00 0.22 C ATOM 672 SG CYS A 54 5.646 0.783 0.010 1.00 0.19 S ATOM 0 H CYS A 54 3.356 -2.060 2.671 1.00 0.24 H new ATOM 0 HA CYS A 54 5.507 -2.036 0.634 1.00 0.21 H new ATOM 0 HB2 CYS A 54 3.578 -0.413 0.232 1.00 0.22 H new ATOM 0 HB3 CYS A 54 4.028 0.372 1.732 1.00 0.22 H new ATOM 677 N ILE A 55 7.179 -1.492 2.358 1.00 0.24 N ATOM 678 CA ILE A 55 8.178 -1.336 3.399 1.00 0.30 C ATOM 679 C ILE A 55 9.350 -0.521 2.875 1.00 0.28 C ATOM 680 O ILE A 55 9.480 -0.324 1.667 1.00 0.28 O ATOM 681 CB ILE A 55 8.692 -2.698 3.924 1.00 0.37 C ATOM 682 CG1 ILE A 55 9.277 -3.539 2.793 1.00 0.37 C ATOM 683 CG2 ILE A 55 7.575 -3.468 4.613 1.00 0.43 C ATOM 684 CD1 ILE A 55 10.032 -4.753 3.284 1.00 0.47 C ATOM 0 H ILE A 55 7.555 -1.761 1.449 1.00 0.24 H new ATOM 0 HA ILE A 55 7.701 -0.817 4.230 1.00 0.30 H new ATOM 0 HB ILE A 55 9.480 -2.494 4.648 1.00 0.37 H new ATOM 0 HG12 ILE A 55 8.471 -3.862 2.135 1.00 0.37 H new ATOM 0 HG13 ILE A 55 9.947 -2.919 2.197 1.00 0.37 H new ATOM 0 HG21 ILE A 55 7.960 -4.422 4.974 1.00 0.43 H new ATOM 0 HG22 ILE A 55 7.198 -2.887 5.455 1.00 0.43 H new ATOM 0 HG23 ILE A 55 6.766 -3.647 3.905 1.00 0.43 H new ATOM 0 HD11 ILE A 55 10.423 -5.308 2.431 1.00 0.47 H new ATOM 0 HD12 ILE A 55 10.859 -4.435 3.919 1.00 0.47 H new ATOM 0 HD13 ILE A 55 9.360 -5.393 3.856 1.00 0.47 H new ATOM 696 N VAL A 56 10.192 -0.042 3.777 1.00 0.37 N ATOM 697 CA VAL A 56 11.338 0.769 3.395 1.00 0.41 C ATOM 698 C VAL A 56 12.330 -0.051 2.568 1.00 0.44 C ATOM 699 O VAL A 56 12.730 -1.150 2.953 1.00 0.58 O ATOM 700 CB VAL A 56 12.042 1.381 4.631 1.00 0.57 C ATOM 701 CG1 VAL A 56 12.537 0.302 5.584 1.00 0.74 C ATOM 702 CG2 VAL A 56 13.184 2.290 4.204 1.00 0.57 C ATOM 0 H VAL A 56 10.103 -0.201 4.781 1.00 0.37 H new ATOM 0 HA VAL A 56 10.967 1.591 2.783 1.00 0.41 H new ATOM 0 HB VAL A 56 11.306 1.980 5.167 1.00 0.57 H new ATOM 0 HG11 VAL A 56 13.026 0.768 6.439 1.00 0.74 H new ATOM 0 HG12 VAL A 56 11.692 -0.294 5.929 1.00 0.74 H new ATOM 0 HG13 VAL A 56 13.248 -0.342 5.067 1.00 0.74 H new ATOM 0 HG21 VAL A 56 13.665 2.710 5.088 1.00 0.57 H new ATOM 0 HG22 VAL A 56 13.913 1.715 3.633 1.00 0.57 H new ATOM 0 HG23 VAL A 56 12.794 3.098 3.585 1.00 0.57 H new ATOM 712 N ARG A 57 12.691 0.487 1.413 1.00 0.41 N ATOM 713 CA ARG A 57 13.604 -0.186 0.503 1.00 0.52 C ATOM 714 C ARG A 57 15.045 0.059 0.926 1.00 0.70 C ATOM 715 O ARG A 57 15.882 -0.844 0.888 1.00 1.66 O ATOM 716 CB ARG A 57 13.390 0.322 -0.923 1.00 0.77 C ATOM 717 CG ARG A 57 14.173 -0.442 -1.974 1.00 1.01 C ATOM 718 CD ARG A 57 14.064 0.216 -3.339 1.00 2.08 C ATOM 719 NE ARG A 57 12.675 0.382 -3.769 1.00 2.80 N ATOM 720 CZ ARG A 57 12.218 0.016 -4.964 1.00 3.80 C ATOM 721 NH1 ARG A 57 13.026 -0.588 -5.830 1.00 4.23 N ATOM 722 NH2 ARG A 57 10.951 0.241 -5.286 1.00 4.70 N ATOM 0 H ARG A 57 12.363 1.394 1.082 1.00 0.41 H new ATOM 0 HA ARG A 57 13.403 -1.257 0.535 1.00 0.52 H new ATOM 0 HB2 ARG A 57 12.328 0.265 -1.163 1.00 0.77 H new ATOM 0 HB3 ARG A 57 13.671 1.374 -0.969 1.00 0.77 H new ATOM 0 HG2 ARG A 57 15.221 -0.498 -1.679 1.00 1.01 H new ATOM 0 HG3 ARG A 57 13.803 -1.466 -2.032 1.00 1.01 H new ATOM 0 HD2 ARG A 57 14.551 1.191 -3.309 1.00 2.08 H new ATOM 0 HD3 ARG A 57 14.599 -0.386 -4.073 1.00 2.08 H new ATOM 0 HE ARG A 57 12.017 0.804 -3.113 1.00 2.80 H new ATOM 0 HH11 ARG A 57 13.997 -0.771 -5.579 1.00 4.23 H new ATOM 0 HH12 ARG A 57 12.674 -0.868 -6.746 1.00 4.23 H new ATOM 0 HH21 ARG A 57 10.328 0.694 -4.618 1.00 4.70 H new ATOM 0 HH22 ARG A 57 10.600 -0.039 -6.202 1.00 4.70 H new ATOM 736 N GLN A 58 15.317 1.290 1.331 1.00 0.89 N ATOM 737 CA GLN A 58 16.653 1.696 1.735 1.00 1.06 C ATOM 738 C GLN A 58 16.583 3.026 2.467 1.00 1.84 C ATOM 739 O GLN A 58 16.714 3.089 3.689 1.00 2.61 O ATOM 740 CB GLN A 58 17.562 1.814 0.508 1.00 1.42 C ATOM 741 CG GLN A 58 18.971 2.287 0.823 1.00 1.86 C ATOM 742 CD GLN A 58 19.849 2.327 -0.408 1.00 2.44 C ATOM 743 OE1 GLN A 58 19.952 3.351 -1.081 1.00 3.32 O ATOM 744 NE2 GLN A 58 20.471 1.203 -0.720 1.00 2.56 N ATOM 0 H GLN A 58 14.620 2.033 1.389 1.00 0.89 H new ATOM 0 HA GLN A 58 17.069 0.943 2.404 1.00 1.06 H new ATOM 0 HB2 GLN A 58 17.618 0.843 0.016 1.00 1.42 H new ATOM 0 HB3 GLN A 58 17.108 2.506 -0.202 1.00 1.42 H new ATOM 0 HG2 GLN A 58 18.928 3.281 1.269 1.00 1.86 H new ATOM 0 HG3 GLN A 58 19.418 1.624 1.564 1.00 1.86 H new ATOM 0 HE21 GLN A 58 20.357 0.377 -0.133 1.00 2.56 H new ATOM 0 HE22 GLN A 58 21.065 1.162 -1.548 1.00 2.56 H new ATOM 753 N GLU A 59 16.337 4.076 1.706 1.00 2.35 N ATOM 754 CA GLU A 59 16.237 5.424 2.236 1.00 3.39 C ATOM 755 C GLU A 59 14.941 6.062 1.750 1.00 3.51 C ATOM 756 O GLU A 59 14.710 6.153 0.547 1.00 3.94 O ATOM 757 CB GLU A 59 17.448 6.245 1.788 1.00 4.20 C ATOM 758 CG GLU A 59 18.737 5.879 2.501 1.00 4.78 C ATOM 759 CD GLU A 59 18.710 6.228 3.974 1.00 5.50 C ATOM 760 OE1 GLU A 59 18.708 7.433 4.303 1.00 5.99 O ATOM 761 OE2 GLU A 59 18.698 5.302 4.809 1.00 5.82 O ATOM 0 H GLU A 59 16.200 4.018 0.697 1.00 2.35 H new ATOM 0 HA GLU A 59 16.226 5.394 3.326 1.00 3.39 H new ATOM 0 HB2 GLU A 59 17.588 6.113 0.715 1.00 4.20 H new ATOM 0 HB3 GLU A 59 17.240 7.302 1.954 1.00 4.20 H new ATOM 0 HG2 GLU A 59 18.919 4.810 2.388 1.00 4.78 H new ATOM 0 HG3 GLU A 59 19.570 6.396 2.025 1.00 4.78 H new ATOM 768 N SER A 60 14.103 6.480 2.690 1.00 3.52 N ATOM 769 CA SER A 60 12.767 6.982 2.381 1.00 3.65 C ATOM 770 C SER A 60 12.802 8.160 1.404 1.00 3.70 C ATOM 771 O SER A 60 13.335 9.231 1.711 1.00 4.27 O ATOM 772 CB SER A 60 12.055 7.389 3.673 1.00 4.18 C ATOM 773 OG SER A 60 11.949 6.288 4.565 1.00 4.66 O ATOM 0 H SER A 60 14.327 6.481 3.685 1.00 3.52 H new ATOM 0 HA SER A 60 12.217 6.177 1.895 1.00 3.65 H new ATOM 0 HB2 SER A 60 12.602 8.200 4.154 1.00 4.18 H new ATOM 0 HB3 SER A 60 11.061 7.770 3.440 1.00 4.18 H new ATOM 0 HG SER A 60 11.492 6.573 5.384 1.00 4.66 H new ATOM 779 N GLY A 61 12.225 7.952 0.227 1.00 3.38 N ATOM 780 CA GLY A 61 12.159 8.988 -0.779 1.00 3.73 C ATOM 781 C GLY A 61 10.982 8.773 -1.702 1.00 4.13 C ATOM 782 O GLY A 61 10.591 7.602 -1.891 1.00 4.74 O ATOM 783 OXT GLY A 61 10.431 9.765 -2.219 1.00 4.29 O ATOM 0 H GLY A 61 11.796 7.069 -0.049 1.00 3.38 H new ATOM 0 HA2 GLY A 61 12.075 9.962 -0.298 1.00 3.73 H new ATOM 0 HA3 GLY A 61 13.083 8.997 -1.358 1.00 3.73 H new TER 787 GLY A 61