USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 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 34 TYR OH : rot 23:sc= 0.519 USER MOD Set 1.2: A 49 THR OG1 : rot -94:sc= 1.84 USER MOD Set 1.3: A 51 ASN : amide:sc= 1.72 K(o=4.1,f=2.1) USER MOD Single : A 6 GLN : amide:sc= 0.424 K(o=0.42,f=-0.47) USER MOD Single : A 8 SER OG : rot 58:sc= 1.03 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 16 SER OG : rot -48:sc= 0.818 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 THR OG1 : rot -97:sc= 0.689 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0407 (180deg=-0.219) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0.709 K(o=0.71,f=-0.68) USER MOD Single : A 40 GLN : amide:sc= -0.157 K(o=-0.16,f=-6.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -5:sc= 1.05 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -54:sc= 0.0517 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.352 4.565 -0.612 1.00 1.05 N ATOM 2 CA VAL A 5 -9.301 5.700 -0.571 1.00 1.18 C ATOM 3 C VAL A 5 -10.403 5.435 0.447 1.00 1.64 C ATOM 4 O VAL A 5 -11.290 4.610 0.220 1.00 2.42 O ATOM 5 CB VAL A 5 -9.949 5.949 -1.953 1.00 1.97 C ATOM 6 CG1 VAL A 5 -10.894 7.143 -1.901 1.00 2.80 C ATOM 7 CG2 VAL A 5 -8.885 6.150 -3.022 1.00 2.59 C ATOM 0 HA VAL A 5 -8.733 6.585 -0.284 1.00 1.18 H new ATOM 0 HB VAL A 5 -10.532 5.066 -2.216 1.00 1.97 H new ATOM 0 HG11 VAL A 5 -11.338 7.299 -2.884 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -11.682 6.952 -1.173 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -10.339 8.034 -1.608 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -9.365 6.323 -3.985 1.00 2.59 H new ATOM 0 HG22 VAL A 5 -8.268 7.011 -2.764 1.00 2.59 H new ATOM 0 HG23 VAL A 5 -8.259 5.260 -3.084 1.00 2.59 H new ATOM 17 N GLN A 6 -10.328 6.121 1.580 1.00 1.99 N ATOM 18 CA GLN A 6 -11.353 6.012 2.607 1.00 2.85 C ATOM 19 C GLN A 6 -12.635 6.708 2.159 1.00 2.54 C ATOM 20 O GLN A 6 -12.604 7.836 1.672 1.00 3.16 O ATOM 21 CB GLN A 6 -10.858 6.610 3.930 1.00 3.91 C ATOM 22 CG GLN A 6 -11.902 6.597 5.034 1.00 4.91 C ATOM 23 CD GLN A 6 -11.355 7.067 6.367 1.00 6.00 C ATOM 24 OE1 GLN A 6 -10.422 7.870 6.423 1.00 6.69 O ATOM 25 NE2 GLN A 6 -11.936 6.575 7.449 1.00 6.45 N ATOM 0 H GLN A 6 -9.567 6.759 1.810 1.00 1.99 H new ATOM 0 HA GLN A 6 -11.568 4.955 2.764 1.00 2.85 H new ATOM 0 HB2 GLN A 6 -9.982 6.055 4.264 1.00 3.91 H new ATOM 0 HB3 GLN A 6 -10.538 7.637 3.757 1.00 3.91 H new ATOM 0 HG2 GLN A 6 -12.738 7.234 4.745 1.00 4.91 H new ATOM 0 HG3 GLN A 6 -12.295 5.586 5.144 1.00 4.91 H new ATOM 0 HE21 GLN A 6 -12.706 5.912 7.358 1.00 6.45 H new ATOM 0 HE22 GLN A 6 -11.614 6.859 8.374 1.00 6.45 H new ATOM 34 N LEU A 7 -13.756 6.026 2.328 1.00 1.99 N ATOM 35 CA LEU A 7 -15.053 6.572 1.952 1.00 1.82 C ATOM 36 C LEU A 7 -16.079 6.269 3.027 1.00 2.14 C ATOM 37 O LEU A 7 -17.275 6.498 2.847 1.00 2.82 O ATOM 38 CB LEU A 7 -15.539 6.002 0.607 1.00 1.60 C ATOM 39 CG LEU A 7 -15.930 4.514 0.591 1.00 1.56 C ATOM 40 CD1 LEU A 7 -16.721 4.195 -0.668 1.00 1.63 C ATOM 41 CD2 LEU A 7 -14.710 3.610 0.664 1.00 2.29 C ATOM 0 H LEU A 7 -13.795 5.087 2.725 1.00 1.99 H new ATOM 0 HA LEU A 7 -14.937 7.651 1.845 1.00 1.82 H new ATOM 0 HB2 LEU A 7 -16.401 6.584 0.282 1.00 1.60 H new ATOM 0 HB3 LEU A 7 -14.753 6.156 -0.132 1.00 1.60 H new ATOM 0 HG LEU A 7 -16.544 4.328 1.472 1.00 1.56 H new ATOM 0 HD11 LEU A 7 -16.993 3.139 -0.669 1.00 1.63 H new ATOM 0 HD12 LEU A 7 -17.626 4.803 -0.693 1.00 1.63 H new ATOM 0 HD13 LEU A 7 -16.112 4.414 -1.545 1.00 1.63 H new ATOM 0 HD21 LEU A 7 -15.028 2.568 0.650 1.00 2.29 H new ATOM 0 HD22 LEU A 7 -14.062 3.803 -0.191 1.00 2.29 H new ATOM 0 HD23 LEU A 7 -14.163 3.810 1.585 1.00 2.29 H new ATOM 53 N SER A 8 -15.598 5.773 4.155 1.00 2.20 N ATOM 54 CA SER A 8 -16.469 5.280 5.203 1.00 2.72 C ATOM 55 C SER A 8 -15.667 5.012 6.475 1.00 2.76 C ATOM 56 O SER A 8 -14.475 5.327 6.528 1.00 3.10 O ATOM 57 CB SER A 8 -17.165 4.009 4.707 1.00 3.21 C ATOM 58 OG SER A 8 -16.251 3.149 4.036 1.00 3.77 O ATOM 0 H SER A 8 -14.603 5.702 4.367 1.00 2.20 H new ATOM 0 HA SER A 8 -17.224 6.028 5.444 1.00 2.72 H new ATOM 0 HB2 SER A 8 -17.611 3.483 5.551 1.00 3.21 H new ATOM 0 HB3 SER A 8 -17.978 4.276 4.033 1.00 3.21 H new ATOM 0 HG SER A 8 -15.513 2.921 4.640 1.00 3.77 H new ATOM 64 N GLU A 9 -16.329 4.453 7.494 1.00 2.62 N ATOM 65 CA GLU A 9 -15.666 4.053 8.739 1.00 2.82 C ATOM 66 C GLU A 9 -14.369 3.314 8.433 1.00 2.50 C ATOM 67 O GLU A 9 -13.288 3.706 8.873 1.00 2.64 O ATOM 68 CB GLU A 9 -16.592 3.149 9.562 1.00 3.14 C ATOM 69 CG GLU A 9 -15.932 2.552 10.795 1.00 3.67 C ATOM 70 CD GLU A 9 -16.792 1.497 11.457 1.00 4.14 C ATOM 71 OE1 GLU A 9 -16.968 0.408 10.865 1.00 4.59 O ATOM 72 OE2 GLU A 9 -17.288 1.744 12.575 1.00 4.39 O ATOM 0 H GLU A 9 -17.332 4.266 7.479 1.00 2.62 H new ATOM 0 HA GLU A 9 -15.437 4.950 9.314 1.00 2.82 H new ATOM 0 HB2 GLU A 9 -17.465 3.724 9.871 1.00 3.14 H new ATOM 0 HB3 GLU A 9 -16.952 2.340 8.927 1.00 3.14 H new ATOM 0 HG2 GLU A 9 -14.975 2.113 10.514 1.00 3.67 H new ATOM 0 HG3 GLU A 9 -15.721 3.346 11.511 1.00 3.67 H new ATOM 79 N THR A 10 -14.496 2.247 7.669 1.00 2.14 N ATOM 80 CA THR A 10 -13.354 1.524 7.170 1.00 1.81 C ATOM 81 C THR A 10 -13.045 1.967 5.746 1.00 1.38 C ATOM 82 O THR A 10 -13.935 2.007 4.898 1.00 1.31 O ATOM 83 CB THR A 10 -13.620 0.011 7.199 1.00 1.90 C ATOM 84 OG1 THR A 10 -14.986 -0.247 6.837 1.00 2.04 O ATOM 85 CG2 THR A 10 -13.338 -0.561 8.575 1.00 2.42 C ATOM 0 H THR A 10 -15.395 1.861 7.380 1.00 2.14 H new ATOM 0 HA THR A 10 -12.498 1.740 7.809 1.00 1.81 H new ATOM 0 HB THR A 10 -12.954 -0.471 6.483 1.00 1.90 H new ATOM 0 HG1 THR A 10 -15.152 -1.213 6.855 1.00 2.04 H new ATOM 0 HG21 THR A 10 -13.534 -1.633 8.570 1.00 2.42 H new ATOM 0 HG22 THR A 10 -12.295 -0.384 8.836 1.00 2.42 H new ATOM 0 HG23 THR A 10 -13.983 -0.078 9.309 1.00 2.42 H new ATOM 93 N PRO A 11 -11.781 2.345 5.481 1.00 1.30 N ATOM 94 CA PRO A 11 -11.331 2.760 4.142 1.00 1.17 C ATOM 95 C PRO A 11 -11.555 1.680 3.081 1.00 0.93 C ATOM 96 O PRO A 11 -11.567 1.975 1.889 1.00 1.52 O ATOM 97 CB PRO A 11 -9.830 3.013 4.332 1.00 1.41 C ATOM 98 CG PRO A 11 -9.670 3.287 5.787 1.00 1.69 C ATOM 99 CD PRO A 11 -10.695 2.431 6.476 1.00 1.58 C ATOM 0 HA PRO A 11 -11.886 3.627 3.784 1.00 1.17 H new ATOM 0 HB2 PRO A 11 -9.241 2.148 4.026 1.00 1.41 H new ATOM 0 HB3 PRO A 11 -9.492 3.857 3.731 1.00 1.41 H new ATOM 0 HG2 PRO A 11 -8.663 3.040 6.124 1.00 1.69 H new ATOM 0 HG3 PRO A 11 -9.830 4.343 6.007 1.00 1.69 H new ATOM 0 HD2 PRO A 11 -10.297 1.447 6.725 1.00 1.58 H new ATOM 0 HD3 PRO A 11 -11.036 2.882 7.408 1.00 1.58 H new ATOM 107 N ALA A 12 -11.730 0.436 3.544 1.00 0.86 N ATOM 108 CA ALA A 12 -11.964 -0.724 2.679 1.00 0.68 C ATOM 109 C ALA A 12 -10.739 -1.047 1.829 1.00 0.67 C ATOM 110 O ALA A 12 -10.263 -0.209 1.062 1.00 1.42 O ATOM 111 CB ALA A 12 -13.194 -0.515 1.804 1.00 0.91 C ATOM 0 H ALA A 12 -11.713 0.206 4.538 1.00 0.86 H new ATOM 0 HA ALA A 12 -12.150 -1.581 3.326 1.00 0.68 H new ATOM 0 HB1 ALA A 12 -13.344 -1.391 1.172 1.00 0.91 H new ATOM 0 HB2 ALA A 12 -14.070 -0.369 2.436 1.00 0.91 H new ATOM 0 HB3 ALA A 12 -13.049 0.364 1.177 1.00 0.91 H new ATOM 117 N ALA A 13 -10.230 -2.271 1.990 1.00 0.64 N ATOM 118 CA ALA A 13 -9.032 -2.746 1.289 1.00 0.53 C ATOM 119 C ALA A 13 -7.777 -2.053 1.819 1.00 0.47 C ATOM 120 O ALA A 13 -6.860 -2.700 2.316 1.00 0.58 O ATOM 121 CB ALA A 13 -9.165 -2.570 -0.220 1.00 0.59 C ATOM 0 H ALA A 13 -10.640 -2.966 2.614 1.00 0.64 H new ATOM 0 HA ALA A 13 -8.933 -3.813 1.486 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -8.261 -2.932 -0.710 1.00 0.59 H new ATOM 0 HB2 ALA A 13 -10.024 -3.138 -0.578 1.00 0.59 H new ATOM 0 HB3 ALA A 13 -9.306 -1.514 -0.452 1.00 0.59 H new ATOM 127 N CYS A 14 -7.753 -0.732 1.737 1.00 0.43 N ATOM 128 CA CYS A 14 -6.673 0.060 2.311 1.00 0.48 C ATOM 129 C CYS A 14 -6.941 0.283 3.800 1.00 0.53 C ATOM 130 O CYS A 14 -6.226 1.013 4.484 1.00 0.62 O ATOM 131 CB CYS A 14 -6.558 1.403 1.577 1.00 0.59 C ATOM 132 SG CYS A 14 -5.224 2.487 2.190 1.00 1.47 S ATOM 0 H CYS A 14 -8.476 -0.180 1.274 1.00 0.43 H new ATOM 0 HA CYS A 14 -5.730 -0.475 2.197 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -6.394 1.211 0.517 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -7.507 1.932 1.662 1.00 0.59 H new ATOM 137 N SER A 15 -7.966 -0.390 4.297 1.00 0.60 N ATOM 138 CA SER A 15 -8.427 -0.219 5.663 1.00 0.70 C ATOM 139 C SER A 15 -7.440 -0.788 6.685 1.00 0.71 C ATOM 140 O SER A 15 -7.401 -0.344 7.832 1.00 0.87 O ATOM 141 CB SER A 15 -9.793 -0.883 5.801 1.00 0.83 C ATOM 142 OG SER A 15 -9.795 -2.152 5.172 1.00 1.36 O ATOM 0 H SER A 15 -8.503 -1.072 3.762 1.00 0.60 H new ATOM 0 HA SER A 15 -8.504 0.848 5.874 1.00 0.70 H new ATOM 0 HB2 SER A 15 -10.045 -0.993 6.856 1.00 0.83 H new ATOM 0 HB3 SER A 15 -10.559 -0.248 5.355 1.00 0.83 H new ATOM 0 HG SER A 15 -10.678 -2.565 5.271 1.00 1.36 H new ATOM 148 N SER A 16 -6.636 -1.756 6.271 1.00 0.67 N ATOM 149 CA SER A 16 -5.667 -2.362 7.174 1.00 0.83 C ATOM 150 C SER A 16 -4.308 -1.669 7.055 1.00 0.76 C ATOM 151 O SER A 16 -3.300 -2.154 7.576 1.00 0.87 O ATOM 152 CB SER A 16 -5.526 -3.861 6.891 1.00 1.00 C ATOM 153 OG SER A 16 -4.642 -4.476 7.814 1.00 1.64 O ATOM 0 H SER A 16 -6.634 -2.136 5.325 1.00 0.67 H new ATOM 0 HA SER A 16 -6.031 -2.235 8.194 1.00 0.83 H new ATOM 0 HB2 SER A 16 -6.504 -4.338 6.947 1.00 1.00 H new ATOM 0 HB3 SER A 16 -5.157 -4.009 5.876 1.00 1.00 H new ATOM 0 HG SER A 16 -3.821 -3.946 7.883 1.00 1.64 H new ATOM 159 N ASN A 17 -4.306 -0.527 6.362 1.00 0.63 N ATOM 160 CA ASN A 17 -3.089 0.259 6.125 1.00 0.65 C ATOM 161 C ASN A 17 -2.008 -0.591 5.455 1.00 0.59 C ATOM 162 O ASN A 17 -0.938 -0.806 6.020 1.00 0.77 O ATOM 163 CB ASN A 17 -2.560 0.850 7.438 1.00 0.88 C ATOM 164 CG ASN A 17 -3.551 1.795 8.093 1.00 0.99 C ATOM 165 OD1 ASN A 17 -4.332 2.465 7.418 1.00 1.37 O ATOM 166 ND2 ASN A 17 -3.530 1.855 9.417 1.00 1.69 N ATOM 0 H ASN A 17 -5.146 -0.121 5.950 1.00 0.63 H new ATOM 0 HA ASN A 17 -3.347 1.078 5.453 1.00 0.65 H new ATOM 0 HB2 ASN A 17 -2.325 0.040 8.128 1.00 0.88 H new ATOM 0 HB3 ASN A 17 -1.629 1.383 7.243 1.00 0.88 H new ATOM 0 HD21 ASN A 17 -4.176 2.472 9.910 1.00 1.69 H new ATOM 0 HD22 ASN A 17 -2.868 1.284 9.943 1.00 1.69 H new ATOM 173 N PRO A 18 -2.271 -1.067 4.226 1.00 0.42 N ATOM 174 CA PRO A 18 -1.376 -1.994 3.518 1.00 0.44 C ATOM 175 C PRO A 18 -0.017 -1.371 3.206 1.00 0.42 C ATOM 176 O PRO A 18 1.029 -1.899 3.586 1.00 0.54 O ATOM 177 CB PRO A 18 -2.128 -2.302 2.218 1.00 0.43 C ATOM 178 CG PRO A 18 -3.532 -1.876 2.464 1.00 0.52 C ATOM 179 CD PRO A 18 -3.447 -0.727 3.418 1.00 0.36 C ATOM 0 HA PRO A 18 -1.155 -2.876 4.119 1.00 0.44 H new ATOM 0 HB2 PRO A 18 -1.695 -1.762 1.376 1.00 0.43 H new ATOM 0 HB3 PRO A 18 -2.076 -3.364 1.976 1.00 0.43 H new ATOM 0 HG2 PRO A 18 -4.019 -1.578 1.535 1.00 0.52 H new ATOM 0 HG3 PRO A 18 -4.120 -2.691 2.885 1.00 0.52 H new ATOM 0 HD2 PRO A 18 -3.321 0.223 2.898 1.00 0.36 H new ATOM 0 HD3 PRO A 18 -4.346 -0.639 4.028 1.00 0.36 H new ATOM 187 N CYS A 19 -0.043 -0.244 2.514 1.00 0.33 N ATOM 188 CA CYS A 19 1.174 0.447 2.120 1.00 0.35 C ATOM 189 C CYS A 19 1.517 1.561 3.100 1.00 0.41 C ATOM 190 O CYS A 19 2.437 2.345 2.867 1.00 0.55 O ATOM 191 CB CYS A 19 1.001 1.004 0.712 1.00 0.31 C ATOM 192 SG CYS A 19 -0.684 0.781 0.055 1.00 0.29 S ATOM 0 H CYS A 19 -0.902 0.215 2.211 1.00 0.33 H new ATOM 0 HA CYS A 19 2.002 -0.262 2.131 1.00 0.35 H new ATOM 0 HB2 CYS A 19 1.245 2.066 0.716 1.00 0.31 H new ATOM 0 HB3 CYS A 19 1.712 0.516 0.045 1.00 0.31 H new ATOM 197 N GLY A 20 0.775 1.617 4.198 1.00 0.52 N ATOM 198 CA GLY A 20 1.024 2.615 5.216 1.00 0.62 C ATOM 199 C GLY A 20 0.585 4.005 4.796 1.00 0.64 C ATOM 200 O GLY A 20 -0.543 4.189 4.336 1.00 0.69 O ATOM 0 H GLY A 20 0.001 0.984 4.401 1.00 0.52 H new ATOM 0 HA2 GLY A 20 0.500 2.334 6.130 1.00 0.62 H new ATOM 0 HA3 GLY A 20 2.088 2.630 5.451 1.00 0.62 H new ATOM 204 N PRO A 21 1.462 5.005 4.953 1.00 0.67 N ATOM 205 CA PRO A 21 1.170 6.391 4.632 1.00 0.72 C ATOM 206 C PRO A 21 1.549 6.752 3.200 1.00 0.68 C ATOM 207 O PRO A 21 2.226 5.986 2.512 1.00 0.59 O ATOM 208 CB PRO A 21 2.055 7.167 5.616 1.00 0.80 C ATOM 209 CG PRO A 21 3.029 6.175 6.184 1.00 0.83 C ATOM 210 CD PRO A 21 2.825 4.874 5.454 1.00 0.70 C ATOM 0 HA PRO A 21 0.105 6.611 4.712 1.00 0.72 H new ATOM 0 HB2 PRO A 21 2.578 7.979 5.111 1.00 0.80 H new ATOM 0 HB3 PRO A 21 1.454 7.618 6.406 1.00 0.80 H new ATOM 0 HG2 PRO A 21 4.053 6.528 6.060 1.00 0.83 H new ATOM 0 HG3 PRO A 21 2.864 6.045 7.254 1.00 0.83 H new ATOM 0 HD2 PRO A 21 3.544 4.745 4.645 1.00 0.70 H new ATOM 0 HD3 PRO A 21 2.933 4.015 6.117 1.00 0.70 H new ATOM 218 N GLU A 22 1.139 7.944 2.780 1.00 0.81 N ATOM 219 CA GLU A 22 1.476 8.468 1.462 1.00 0.88 C ATOM 220 C GLU A 22 2.989 8.669 1.333 1.00 0.73 C ATOM 221 O GLU A 22 3.529 8.737 0.229 1.00 0.79 O ATOM 222 CB GLU A 22 0.729 9.788 1.227 1.00 1.14 C ATOM 223 CG GLU A 22 1.041 10.465 -0.099 1.00 1.99 C ATOM 224 CD GLU A 22 0.777 9.578 -1.300 1.00 2.51 C ATOM 225 OE1 GLU A 22 -0.390 9.203 -1.519 1.00 2.49 O ATOM 226 OE2 GLU A 22 1.737 9.246 -2.026 1.00 3.42 O ATOM 0 H GLU A 22 0.565 8.573 3.342 1.00 0.81 H new ATOM 0 HA GLU A 22 1.169 7.749 0.703 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -0.343 9.598 1.279 1.00 1.14 H new ATOM 0 HB3 GLU A 22 0.971 10.476 2.037 1.00 1.14 H new ATOM 0 HG2 GLU A 22 0.442 11.371 -0.186 1.00 1.99 H new ATOM 0 HG3 GLU A 22 2.087 10.772 -0.105 1.00 1.99 H new ATOM 233 N ALA A 23 3.672 8.773 2.469 1.00 0.65 N ATOM 234 CA ALA A 23 5.125 8.860 2.472 1.00 0.57 C ATOM 235 C ALA A 23 5.740 7.564 1.956 1.00 0.46 C ATOM 236 O ALA A 23 6.788 7.574 1.309 1.00 0.46 O ATOM 237 CB ALA A 23 5.638 9.161 3.868 1.00 0.57 C ATOM 0 H ALA A 23 3.243 8.799 3.394 1.00 0.65 H new ATOM 0 HA ALA A 23 5.419 9.674 1.809 1.00 0.57 H new ATOM 0 HB1 ALA A 23 6.726 9.222 3.850 1.00 0.57 H new ATOM 0 HB2 ALA A 23 5.227 10.111 4.210 1.00 0.57 H new ATOM 0 HB3 ALA A 23 5.330 8.367 4.548 1.00 0.57 H new ATOM 243 N ALA A 24 5.069 6.452 2.232 1.00 0.41 N ATOM 244 CA ALA A 24 5.567 5.144 1.850 1.00 0.34 C ATOM 245 C ALA A 24 4.981 4.707 0.513 1.00 0.29 C ATOM 246 O ALA A 24 5.704 4.548 -0.469 1.00 0.29 O ATOM 247 CB ALA A 24 5.252 4.122 2.933 1.00 0.41 C ATOM 0 H ALA A 24 4.174 6.435 2.722 1.00 0.41 H new ATOM 0 HA ALA A 24 6.649 5.210 1.737 1.00 0.34 H new ATOM 0 HB1 ALA A 24 5.631 3.145 2.633 1.00 0.41 H new ATOM 0 HB2 ALA A 24 5.726 4.424 3.867 1.00 0.41 H new ATOM 0 HB3 ALA A 24 4.173 4.064 3.076 1.00 0.41 H new ATOM 253 N GLY A 25 3.670 4.532 0.476 1.00 0.34 N ATOM 254 CA GLY A 25 3.019 4.097 -0.736 1.00 0.39 C ATOM 255 C GLY A 25 1.532 4.364 -0.715 1.00 0.46 C ATOM 256 O GLY A 25 0.885 4.222 0.322 1.00 0.61 O ATOM 0 H GLY A 25 3.045 4.685 1.268 1.00 0.34 H new ATOM 0 HA2 GLY A 25 3.466 4.608 -1.589 1.00 0.39 H new ATOM 0 HA3 GLY A 25 3.193 3.030 -0.876 1.00 0.39 H new ATOM 260 N THR A 26 0.993 4.751 -1.857 1.00 0.43 N ATOM 261 CA THR A 26 -0.426 5.038 -1.968 1.00 0.52 C ATOM 262 C THR A 26 -1.205 3.753 -2.216 1.00 0.36 C ATOM 263 O THR A 26 -0.751 2.871 -2.949 1.00 0.28 O ATOM 264 CB THR A 26 -0.712 6.019 -3.120 1.00 0.69 C ATOM 265 OG1 THR A 26 0.269 7.062 -3.129 1.00 0.87 O ATOM 266 CG2 THR A 26 -2.101 6.631 -2.993 1.00 0.82 C ATOM 0 H THR A 26 1.518 4.874 -2.723 1.00 0.43 H new ATOM 0 HA THR A 26 -0.741 5.493 -1.029 1.00 0.52 H new ATOM 0 HB THR A 26 -0.665 5.460 -4.055 1.00 0.69 H new ATOM 0 HG1 THR A 26 -0.084 7.847 -2.660 1.00 0.87 H new ATOM 0 HG21 THR A 26 -2.273 7.319 -3.821 1.00 0.82 H new ATOM 0 HG22 THR A 26 -2.851 5.840 -3.017 1.00 0.82 H new ATOM 0 HG23 THR A 26 -2.175 7.173 -2.050 1.00 0.82 H new ATOM 274 N CYS A 27 -2.368 3.647 -1.598 1.00 0.39 N ATOM 275 CA CYS A 27 -3.236 2.502 -1.794 1.00 0.33 C ATOM 276 C CYS A 27 -4.346 2.850 -2.776 1.00 0.29 C ATOM 277 O CYS A 27 -5.010 3.878 -2.643 1.00 0.32 O ATOM 278 CB CYS A 27 -3.825 2.058 -0.458 1.00 0.45 C ATOM 279 SG CYS A 27 -4.547 3.413 0.521 1.00 1.42 S ATOM 0 H CYS A 27 -2.734 4.346 -0.952 1.00 0.39 H new ATOM 0 HA CYS A 27 -2.652 1.680 -2.207 1.00 0.33 H new ATOM 0 HB2 CYS A 27 -4.594 1.308 -0.643 1.00 0.45 H new ATOM 0 HB3 CYS A 27 -3.044 1.576 0.129 1.00 0.45 H new ATOM 284 N LYS A 28 -4.522 2.009 -3.777 1.00 0.35 N ATOM 285 CA LYS A 28 -5.541 2.234 -4.788 1.00 0.43 C ATOM 286 C LYS A 28 -6.394 0.981 -4.934 1.00 0.39 C ATOM 287 O LYS A 28 -5.912 -0.055 -5.391 1.00 0.39 O ATOM 288 CB LYS A 28 -4.874 2.609 -6.121 1.00 0.58 C ATOM 289 CG LYS A 28 -5.787 3.294 -7.131 1.00 0.83 C ATOM 290 CD LYS A 28 -6.776 2.330 -7.763 1.00 1.17 C ATOM 291 CE LYS A 28 -7.663 3.025 -8.782 1.00 1.52 C ATOM 292 NZ LYS A 28 -8.460 4.124 -8.177 1.00 1.92 N ATOM 0 H LYS A 28 -3.972 1.161 -3.913 1.00 0.35 H new ATOM 0 HA LYS A 28 -6.187 3.059 -4.488 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -4.029 3.266 -5.914 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -4.471 1.704 -6.575 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -6.332 4.098 -6.637 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -5.181 3.753 -7.912 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -6.234 1.517 -8.246 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -7.396 1.882 -6.986 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -7.045 3.426 -9.585 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -8.336 2.296 -9.232 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -9.191 4.433 -8.849 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 -8.913 3.785 -7.304 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 -7.834 4.924 -7.954 1.00 1.92 H new ATOM 306 N GLU A 29 -7.650 1.074 -4.518 1.00 0.40 N ATOM 307 CA GLU A 29 -8.561 -0.060 -4.575 1.00 0.41 C ATOM 308 C GLU A 29 -8.896 -0.418 -6.020 1.00 0.42 C ATOM 309 O GLU A 29 -9.439 0.398 -6.770 1.00 0.49 O ATOM 310 CB GLU A 29 -9.847 0.219 -3.791 1.00 0.50 C ATOM 311 CG GLU A 29 -9.643 0.347 -2.285 1.00 0.60 C ATOM 312 CD GLU A 29 -9.077 1.689 -1.864 1.00 0.85 C ATOM 313 OE1 GLU A 29 -9.855 2.659 -1.770 1.00 1.12 O ATOM 314 OE2 GLU A 29 -7.861 1.784 -1.612 1.00 1.66 O ATOM 0 H GLU A 29 -8.061 1.926 -4.136 1.00 0.40 H new ATOM 0 HA GLU A 29 -8.055 -0.908 -4.113 1.00 0.41 H new ATOM 0 HB2 GLU A 29 -10.296 1.139 -4.165 1.00 0.50 H new ATOM 0 HB3 GLU A 29 -10.559 -0.584 -3.983 1.00 0.50 H new ATOM 0 HG2 GLU A 29 -10.597 0.190 -1.782 1.00 0.60 H new ATOM 0 HG3 GLU A 29 -8.972 -0.443 -1.949 1.00 0.60 H new ATOM 321 N THR A 30 -8.560 -1.639 -6.398 1.00 0.39 N ATOM 322 CA THR A 30 -8.799 -2.129 -7.743 1.00 0.45 C ATOM 323 C THR A 30 -10.014 -3.051 -7.765 1.00 0.46 C ATOM 324 O THR A 30 -10.688 -3.217 -6.746 1.00 0.46 O ATOM 325 CB THR A 30 -7.571 -2.894 -8.270 1.00 0.53 C ATOM 326 OG1 THR A 30 -7.245 -3.967 -7.370 1.00 0.52 O ATOM 327 CG2 THR A 30 -6.374 -1.965 -8.419 1.00 0.62 C ATOM 0 H THR A 30 -8.114 -2.318 -5.781 1.00 0.39 H new ATOM 0 HA THR A 30 -8.986 -1.268 -8.385 1.00 0.45 H new ATOM 0 HB THR A 30 -7.814 -3.301 -9.252 1.00 0.53 H new ATOM 0 HG1 THR A 30 -6.464 -4.453 -7.709 1.00 0.52 H new ATOM 0 HG21 THR A 30 -5.520 -2.529 -8.793 1.00 0.62 H new ATOM 0 HG22 THR A 30 -6.617 -1.168 -9.121 1.00 0.62 H new ATOM 0 HG23 THR A 30 -6.127 -1.532 -7.450 1.00 0.62 H new ATOM 335 N ASN A 31 -10.302 -3.646 -8.915 1.00 0.54 N ATOM 336 CA ASN A 31 -11.383 -4.620 -9.014 1.00 0.64 C ATOM 337 C ASN A 31 -11.063 -5.852 -8.172 1.00 0.60 C ATOM 338 O ASN A 31 -11.910 -6.338 -7.422 1.00 0.89 O ATOM 339 CB ASN A 31 -11.627 -5.014 -10.473 1.00 0.86 C ATOM 340 CG ASN A 31 -12.604 -6.170 -10.617 1.00 1.71 C ATOM 341 OD1 ASN A 31 -12.198 -7.328 -10.721 1.00 2.43 O ATOM 342 ND2 ASN A 31 -13.894 -5.867 -10.614 1.00 2.38 N ATOM 0 H ASN A 31 -9.805 -3.473 -9.789 1.00 0.54 H new ATOM 0 HA ASN A 31 -12.295 -4.163 -8.630 1.00 0.64 H new ATOM 0 HB2 ASN A 31 -12.010 -4.151 -11.018 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -10.678 -5.287 -10.934 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -14.592 -6.606 -10.700 1.00 2.38 H new ATOM 0 HD22 ASN A 31 -14.189 -4.895 -10.526 1.00 2.38 H new ATOM 349 N SER A 32 -9.828 -6.330 -8.276 1.00 0.60 N ATOM 350 CA SER A 32 -9.380 -7.471 -7.489 1.00 0.65 C ATOM 351 C SER A 32 -9.423 -7.147 -5.997 1.00 0.53 C ATOM 352 O SER A 32 -9.832 -7.970 -5.180 1.00 0.79 O ATOM 353 CB SER A 32 -7.963 -7.868 -7.908 1.00 0.82 C ATOM 354 OG SER A 32 -7.922 -8.214 -9.284 1.00 1.44 O ATOM 0 H SER A 32 -9.119 -5.944 -8.899 1.00 0.60 H new ATOM 0 HA SER A 32 -10.052 -8.309 -7.674 1.00 0.65 H new ATOM 0 HB2 SER A 32 -7.277 -7.043 -7.715 1.00 0.82 H new ATOM 0 HB3 SER A 32 -7.624 -8.711 -7.306 1.00 0.82 H new ATOM 0 HG SER A 32 -7.007 -8.463 -9.532 1.00 1.44 H new ATOM 360 N GLY A 33 -9.009 -5.938 -5.649 1.00 0.36 N ATOM 361 CA GLY A 33 -9.052 -5.509 -4.268 1.00 0.37 C ATOM 362 C GLY A 33 -8.373 -4.178 -4.078 1.00 0.31 C ATOM 363 O GLY A 33 -9.031 -3.139 -4.044 1.00 0.35 O ATOM 0 H GLY A 33 -8.643 -5.245 -6.301 1.00 0.36 H new ATOM 0 HA2 GLY A 33 -10.089 -5.439 -3.941 1.00 0.37 H new ATOM 0 HA3 GLY A 33 -8.569 -6.257 -3.639 1.00 0.37 H new ATOM 367 N TYR A 34 -7.058 -4.208 -3.960 1.00 0.28 N ATOM 368 CA TYR A 34 -6.277 -2.990 -3.838 1.00 0.25 C ATOM 369 C TYR A 34 -4.851 -3.212 -4.309 1.00 0.30 C ATOM 370 O TYR A 34 -4.362 -4.343 -4.336 1.00 0.38 O ATOM 371 CB TYR A 34 -6.273 -2.482 -2.392 1.00 0.24 C ATOM 372 CG TYR A 34 -5.720 -3.462 -1.374 1.00 0.27 C ATOM 373 CD1 TYR A 34 -6.518 -4.463 -0.830 1.00 0.40 C ATOM 374 CD2 TYR A 34 -4.392 -3.397 -0.976 1.00 0.34 C ATOM 375 CE1 TYR A 34 -6.002 -5.369 0.078 1.00 0.48 C ATOM 376 CE2 TYR A 34 -3.868 -4.303 -0.076 1.00 0.43 C ATOM 377 CZ TYR A 34 -4.737 -5.232 0.534 1.00 0.48 C ATOM 378 OH TYR A 34 -4.156 -6.192 1.342 1.00 0.57 O ATOM 0 H TYR A 34 -6.506 -5.066 -3.946 1.00 0.28 H new ATOM 0 HA TYR A 34 -6.743 -2.236 -4.472 1.00 0.25 H new ATOM 0 HB2 TYR A 34 -5.688 -1.564 -2.346 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -7.294 -2.224 -2.110 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -7.556 -4.534 -1.121 1.00 0.40 H new ATOM 0 HD2 TYR A 34 -3.756 -2.622 -1.378 1.00 0.34 H new ATOM 0 HE1 TYR A 34 -6.612 -6.190 0.424 1.00 0.48 H new ATOM 0 HE2 TYR A 34 -2.813 -4.301 0.157 1.00 0.43 H new ATOM 0 HH TYR A 34 -4.609 -7.051 1.207 1.00 0.57 H new ATOM 388 N ILE A 35 -4.205 -2.132 -4.709 1.00 0.32 N ATOM 389 CA ILE A 35 -2.792 -2.161 -5.028 1.00 0.36 C ATOM 390 C ILE A 35 -2.066 -1.111 -4.207 1.00 0.29 C ATOM 391 O ILE A 35 -2.684 -0.165 -3.712 1.00 0.29 O ATOM 392 CB ILE A 35 -2.512 -1.904 -6.526 1.00 0.48 C ATOM 393 CG1 ILE A 35 -3.021 -0.521 -6.946 1.00 0.50 C ATOM 394 CG2 ILE A 35 -3.138 -2.992 -7.384 1.00 0.59 C ATOM 395 CD1 ILE A 35 -2.567 -0.100 -8.327 1.00 0.64 C ATOM 0 H ILE A 35 -4.642 -1.217 -4.821 1.00 0.32 H new ATOM 0 HA ILE A 35 -2.432 -3.162 -4.791 1.00 0.36 H new ATOM 0 HB ILE A 35 -1.433 -1.928 -6.679 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -4.111 -0.520 -6.915 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -2.681 0.218 -6.220 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -2.929 -2.792 -8.435 1.00 0.59 H new ATOM 0 HG22 ILE A 35 -2.718 -3.959 -7.108 1.00 0.59 H new ATOM 0 HG23 ILE A 35 -4.216 -3.006 -7.225 1.00 0.59 H new ATOM 0 HD11 ILE A 35 -2.966 0.888 -8.555 1.00 0.64 H new ATOM 0 HD12 ILE A 35 -1.478 -0.068 -8.358 1.00 0.64 H new ATOM 0 HD13 ILE A 35 -2.930 -0.817 -9.064 1.00 0.64 H new ATOM 407 N CYS A 36 -0.766 -1.275 -4.063 1.00 0.26 N ATOM 408 CA CYS A 36 0.037 -0.322 -3.321 1.00 0.23 C ATOM 409 C CYS A 36 1.161 0.214 -4.186 1.00 0.25 C ATOM 410 O CYS A 36 1.990 -0.540 -4.688 1.00 0.29 O ATOM 411 CB CYS A 36 0.588 -0.964 -2.049 1.00 0.26 C ATOM 412 SG CYS A 36 -0.643 -1.096 -0.714 1.00 0.26 S ATOM 0 H CYS A 36 -0.242 -2.060 -4.450 1.00 0.26 H new ATOM 0 HA CYS A 36 -0.598 0.516 -3.032 1.00 0.23 H new ATOM 0 HB2 CYS A 36 0.964 -1.959 -2.287 1.00 0.26 H new ATOM 0 HB3 CYS A 36 1.437 -0.379 -1.694 1.00 0.26 H new ATOM 417 N ARG A 37 1.177 1.523 -4.365 1.00 0.26 N ATOM 418 CA ARG A 37 2.184 2.157 -5.193 1.00 0.30 C ATOM 419 C ARG A 37 3.240 2.782 -4.298 1.00 0.25 C ATOM 420 O ARG A 37 3.042 3.866 -3.752 1.00 0.28 O ATOM 421 CB ARG A 37 1.539 3.217 -6.092 1.00 0.38 C ATOM 422 CG ARG A 37 2.462 3.746 -7.183 1.00 0.83 C ATOM 423 CD ARG A 37 2.801 2.670 -8.204 1.00 1.27 C ATOM 424 NE ARG A 37 1.630 2.242 -8.971 1.00 2.34 N ATOM 425 CZ ARG A 37 1.573 1.108 -9.670 1.00 3.30 C ATOM 426 NH1 ARG A 37 2.630 0.305 -9.722 1.00 3.45 N ATOM 427 NH2 ARG A 37 0.468 0.784 -10.331 1.00 4.43 N ATOM 0 H ARG A 37 0.504 2.166 -3.948 1.00 0.26 H new ATOM 0 HA ARG A 37 2.654 1.412 -5.835 1.00 0.30 H new ATOM 0 HB2 ARG A 37 0.649 2.792 -6.557 1.00 0.38 H new ATOM 0 HB3 ARG A 37 1.208 4.051 -5.474 1.00 0.38 H new ATOM 0 HG2 ARG A 37 1.986 4.588 -7.686 1.00 0.83 H new ATOM 0 HG3 ARG A 37 3.380 4.122 -6.732 1.00 0.83 H new ATOM 0 HD2 ARG A 37 3.562 3.048 -8.887 1.00 1.27 H new ATOM 0 HD3 ARG A 37 3.231 1.809 -7.692 1.00 1.27 H new ATOM 0 HE ARG A 37 0.809 2.847 -8.971 1.00 2.34 H new ATOM 0 HH11 ARG A 37 3.486 0.556 -9.227 1.00 3.45 H new ATOM 0 HH12 ARG A 37 2.586 -0.562 -10.257 1.00 3.45 H new ATOM 0 HH21 ARG A 37 -0.342 1.404 -10.305 1.00 4.43 H new ATOM 0 HH22 ARG A 37 0.429 -0.085 -10.864 1.00 4.43 H new ATOM 441 N CYS A 38 4.357 2.089 -4.149 1.00 0.23 N ATOM 442 CA CYS A 38 5.411 2.531 -3.249 1.00 0.20 C ATOM 443 C CYS A 38 6.271 3.604 -3.898 1.00 0.22 C ATOM 444 O CYS A 38 6.628 3.512 -5.076 1.00 0.27 O ATOM 445 CB CYS A 38 6.282 1.348 -2.825 1.00 0.22 C ATOM 446 SG CYS A 38 5.394 0.081 -1.869 1.00 0.24 S ATOM 0 H CYS A 38 4.558 1.218 -4.640 1.00 0.23 H new ATOM 0 HA CYS A 38 4.938 2.959 -2.365 1.00 0.20 H new ATOM 0 HB2 CYS A 38 6.707 0.885 -3.716 1.00 0.22 H new ATOM 0 HB3 CYS A 38 7.116 1.719 -2.230 1.00 0.22 H new ATOM 451 N ASN A 39 6.577 4.629 -3.120 1.00 0.24 N ATOM 452 CA ASN A 39 7.474 5.688 -3.553 1.00 0.28 C ATOM 453 C ASN A 39 8.896 5.155 -3.599 1.00 0.28 C ATOM 454 O ASN A 39 9.220 4.189 -2.904 1.00 0.34 O ATOM 455 CB ASN A 39 7.386 6.871 -2.589 1.00 0.33 C ATOM 456 CG ASN A 39 6.023 7.531 -2.607 1.00 0.42 C ATOM 457 OD1 ASN A 39 5.362 7.594 -3.642 1.00 0.63 O ATOM 458 ND2 ASN A 39 5.585 8.008 -1.455 1.00 0.71 N ATOM 0 H ASN A 39 6.213 4.751 -2.175 1.00 0.24 H new ATOM 0 HA ASN A 39 7.184 6.026 -4.548 1.00 0.28 H new ATOM 0 HB2 ASN A 39 7.608 6.529 -1.578 1.00 0.33 H new ATOM 0 HB3 ASN A 39 8.146 7.607 -2.851 1.00 0.33 H new ATOM 0 HD21 ASN A 39 4.667 8.449 -1.402 1.00 0.71 H new ATOM 0 HD22 ASN A 39 6.165 7.935 -0.619 1.00 0.71 H new ATOM 465 N GLN A 40 9.741 5.768 -4.420 1.00 0.41 N ATOM 466 CA GLN A 40 11.113 5.308 -4.565 1.00 0.50 C ATOM 467 C GLN A 40 11.836 5.384 -3.224 1.00 0.52 C ATOM 468 O GLN A 40 11.942 6.450 -2.617 1.00 1.12 O ATOM 469 CB GLN A 40 11.854 6.117 -5.627 1.00 0.72 C ATOM 470 CG GLN A 40 13.249 5.586 -5.921 1.00 1.36 C ATOM 471 CD GLN A 40 13.247 4.107 -6.264 1.00 2.23 C ATOM 472 OE1 GLN A 40 13.378 3.253 -5.384 1.00 2.90 O ATOM 473 NE2 GLN A 40 13.079 3.790 -7.536 1.00 2.87 N ATOM 0 H GLN A 40 9.501 6.579 -4.991 1.00 0.41 H new ATOM 0 HA GLN A 40 11.095 4.269 -4.894 1.00 0.50 H new ATOM 0 HB2 GLN A 40 11.271 6.116 -6.548 1.00 0.72 H new ATOM 0 HB3 GLN A 40 11.929 7.154 -5.298 1.00 0.72 H new ATOM 0 HG2 GLN A 40 13.681 6.147 -6.750 1.00 1.36 H new ATOM 0 HG3 GLN A 40 13.888 5.754 -5.054 1.00 1.36 H new ATOM 0 HE21 GLN A 40 12.974 4.525 -8.235 1.00 2.87 H new ATOM 0 HE22 GLN A 40 13.054 2.810 -7.818 1.00 2.87 H new ATOM 482 N GLY A 41 12.323 4.242 -2.773 1.00 0.48 N ATOM 483 CA GLY A 41 12.856 4.138 -1.434 1.00 0.42 C ATOM 484 C GLY A 41 12.085 3.120 -0.630 1.00 0.33 C ATOM 485 O GLY A 41 12.477 2.740 0.476 1.00 0.38 O ATOM 0 H GLY A 41 12.359 3.379 -3.315 1.00 0.48 H new ATOM 0 HA2 GLY A 41 13.907 3.854 -1.477 1.00 0.42 H new ATOM 0 HA3 GLY A 41 12.808 5.109 -0.942 1.00 0.42 H new ATOM 489 N TYR A 42 10.969 2.688 -1.198 1.00 0.25 N ATOM 490 CA TYR A 42 10.143 1.650 -0.611 1.00 0.21 C ATOM 491 C TYR A 42 9.956 0.506 -1.602 1.00 0.22 C ATOM 492 O TYR A 42 10.201 0.667 -2.798 1.00 0.26 O ATOM 493 CB TYR A 42 8.788 2.221 -0.190 1.00 0.19 C ATOM 494 CG TYR A 42 8.869 3.184 0.972 1.00 0.24 C ATOM 495 CD1 TYR A 42 8.856 2.731 2.287 1.00 0.30 C ATOM 496 CD2 TYR A 42 8.961 4.552 0.751 1.00 0.34 C ATOM 497 CE1 TYR A 42 8.931 3.618 3.346 1.00 0.39 C ATOM 498 CE2 TYR A 42 9.037 5.441 1.802 1.00 0.42 C ATOM 499 CZ TYR A 42 9.014 4.942 3.122 1.00 0.43 C ATOM 500 OH TYR A 42 9.097 5.861 4.147 1.00 0.54 O ATOM 0 H TYR A 42 10.612 3.050 -2.082 1.00 0.25 H new ATOM 0 HA TYR A 42 10.643 1.264 0.277 1.00 0.21 H new ATOM 0 HB2 TYR A 42 8.338 2.731 -1.042 1.00 0.19 H new ATOM 0 HB3 TYR A 42 8.124 1.399 0.077 1.00 0.19 H new ATOM 0 HD1 TYR A 42 8.786 1.671 2.484 1.00 0.30 H new ATOM 0 HD2 TYR A 42 8.973 4.926 -0.262 1.00 0.34 H new ATOM 0 HE1 TYR A 42 8.923 3.245 4.360 1.00 0.39 H new ATOM 0 HE2 TYR A 42 9.113 6.503 1.618 1.00 0.42 H new ATOM 0 HH TYR A 42 9.150 6.765 3.772 1.00 0.54 H new ATOM 510 N ARG A 43 9.539 -0.644 -1.102 1.00 0.24 N ATOM 511 CA ARG A 43 9.378 -1.829 -1.929 1.00 0.31 C ATOM 512 C ARG A 43 8.107 -2.581 -1.550 1.00 0.24 C ATOM 513 O ARG A 43 7.607 -2.455 -0.431 1.00 0.21 O ATOM 514 CB ARG A 43 10.597 -2.741 -1.781 1.00 0.49 C ATOM 515 CG ARG A 43 10.894 -3.149 -0.344 1.00 0.57 C ATOM 516 CD ARG A 43 12.090 -4.081 -0.270 1.00 0.83 C ATOM 517 NE ARG A 43 12.368 -4.516 1.101 1.00 1.68 N ATOM 518 CZ ARG A 43 13.524 -5.054 1.502 1.00 2.22 C ATOM 519 NH1 ARG A 43 14.539 -5.177 0.653 1.00 2.20 N ATOM 520 NH2 ARG A 43 13.667 -5.464 2.758 1.00 3.05 N ATOM 0 H ARG A 43 9.304 -0.783 -0.119 1.00 0.24 H new ATOM 0 HA ARG A 43 9.294 -1.516 -2.970 1.00 0.31 H new ATOM 0 HB2 ARG A 43 10.441 -3.639 -2.378 1.00 0.49 H new ATOM 0 HB3 ARG A 43 11.470 -2.233 -2.192 1.00 0.49 H new ATOM 0 HG2 ARG A 43 11.086 -2.260 0.256 1.00 0.57 H new ATOM 0 HG3 ARG A 43 10.021 -3.640 0.084 1.00 0.57 H new ATOM 0 HD2 ARG A 43 11.908 -4.954 -0.897 1.00 0.83 H new ATOM 0 HD3 ARG A 43 12.967 -3.576 -0.674 1.00 0.83 H new ATOM 0 HE ARG A 43 11.630 -4.401 1.796 1.00 1.68 H new ATOM 0 HH11 ARG A 43 14.439 -4.860 -0.311 1.00 2.20 H new ATOM 0 HH12 ARG A 43 15.418 -5.588 0.966 1.00 2.20 H new ATOM 0 HH21 ARG A 43 12.894 -5.368 3.417 1.00 3.05 H new ATOM 0 HH22 ARG A 43 14.550 -5.874 3.063 1.00 3.05 H new ATOM 534 N ILE A 44 7.592 -3.362 -2.491 1.00 0.29 N ATOM 535 CA ILE A 44 6.371 -4.128 -2.271 1.00 0.27 C ATOM 536 C ILE A 44 6.677 -5.433 -1.550 1.00 0.28 C ATOM 537 O ILE A 44 7.576 -6.179 -1.943 1.00 0.33 O ATOM 538 CB ILE A 44 5.628 -4.421 -3.600 1.00 0.32 C ATOM 539 CG1 ILE A 44 4.908 -3.164 -4.098 1.00 0.33 C ATOM 540 CG2 ILE A 44 4.638 -5.570 -3.439 1.00 0.34 C ATOM 541 CD1 ILE A 44 3.850 -2.651 -3.140 1.00 0.28 C ATOM 0 H ILE A 44 8.002 -3.482 -3.417 1.00 0.29 H new ATOM 0 HA ILE A 44 5.717 -3.519 -1.647 1.00 0.27 H new ATOM 0 HB ILE A 44 6.371 -4.718 -4.340 1.00 0.32 H new ATOM 0 HG12 ILE A 44 5.643 -2.378 -4.269 1.00 0.33 H new ATOM 0 HG13 ILE A 44 4.442 -3.379 -5.060 1.00 0.33 H new ATOM 0 HG21 ILE A 44 4.133 -5.751 -4.388 1.00 0.34 H new ATOM 0 HG22 ILE A 44 5.172 -6.470 -3.134 1.00 0.34 H new ATOM 0 HG23 ILE A 44 3.900 -5.311 -2.679 1.00 0.34 H new ATOM 0 HD11 ILE A 44 3.382 -1.760 -3.558 1.00 0.28 H new ATOM 0 HD12 ILE A 44 3.093 -3.421 -2.988 1.00 0.28 H new ATOM 0 HD13 ILE A 44 4.313 -2.404 -2.185 1.00 0.28 H new ATOM 553 N SER A 45 5.928 -5.690 -0.495 1.00 0.28 N ATOM 554 CA SER A 45 6.090 -6.895 0.292 1.00 0.33 C ATOM 555 C SER A 45 4.731 -7.541 0.533 1.00 0.32 C ATOM 556 O SER A 45 3.699 -6.874 0.473 1.00 0.31 O ATOM 557 CB SER A 45 6.760 -6.551 1.625 1.00 0.39 C ATOM 558 OG SER A 45 6.906 -7.695 2.446 1.00 0.49 O ATOM 0 H SER A 45 5.191 -5.069 -0.160 1.00 0.28 H new ATOM 0 HA SER A 45 6.721 -7.600 -0.249 1.00 0.33 H new ATOM 0 HB2 SER A 45 7.739 -6.110 1.438 1.00 0.39 H new ATOM 0 HB3 SER A 45 6.167 -5.801 2.148 1.00 0.39 H new ATOM 0 HG SER A 45 7.338 -7.440 3.288 1.00 0.49 H new ATOM 564 N LEU A 46 4.728 -8.837 0.785 1.00 0.45 N ATOM 565 CA LEU A 46 3.504 -9.535 1.135 1.00 0.48 C ATOM 566 C LEU A 46 3.508 -9.842 2.623 1.00 0.62 C ATOM 567 O LEU A 46 4.524 -10.256 3.182 1.00 0.88 O ATOM 568 CB LEU A 46 3.366 -10.827 0.325 1.00 0.66 C ATOM 569 CG LEU A 46 3.363 -10.646 -1.193 1.00 0.71 C ATOM 570 CD1 LEU A 46 3.240 -11.991 -1.885 1.00 0.95 C ATOM 571 CD2 LEU A 46 2.236 -9.721 -1.628 1.00 0.66 C ATOM 0 H LEU A 46 5.559 -9.428 0.754 1.00 0.45 H new ATOM 0 HA LEU A 46 2.652 -8.898 0.899 1.00 0.48 H new ATOM 0 HB2 LEU A 46 4.185 -11.495 0.594 1.00 0.66 H new ATOM 0 HB3 LEU A 46 2.441 -11.323 0.618 1.00 0.66 H new ATOM 0 HG LEU A 46 4.309 -10.188 -1.483 1.00 0.71 H new ATOM 0 HD11 LEU A 46 3.239 -11.846 -2.965 1.00 0.95 H new ATOM 0 HD12 LEU A 46 4.083 -12.623 -1.604 1.00 0.95 H new ATOM 0 HD13 LEU A 46 2.310 -12.472 -1.583 1.00 0.95 H new ATOM 0 HD21 LEU A 46 2.256 -9.609 -2.712 1.00 0.66 H new ATOM 0 HD22 LEU A 46 1.279 -10.146 -1.324 1.00 0.66 H new ATOM 0 HD23 LEU A 46 2.365 -8.745 -1.160 1.00 0.66 H new ATOM 583 N ASP A 47 2.357 -9.620 3.246 1.00 0.57 N ATOM 584 CA ASP A 47 2.187 -9.775 4.691 1.00 0.81 C ATOM 585 C ASP A 47 2.504 -11.193 5.150 1.00 0.98 C ATOM 586 O ASP A 47 2.905 -11.408 6.293 1.00 1.62 O ATOM 587 CB ASP A 47 0.744 -9.451 5.076 1.00 0.94 C ATOM 588 CG ASP A 47 -0.216 -10.540 4.633 1.00 1.86 C ATOM 589 OD1 ASP A 47 -0.278 -10.830 3.419 1.00 2.52 O ATOM 590 OD2 ASP A 47 -0.885 -11.144 5.498 1.00 2.20 O ATOM 0 H ASP A 47 1.508 -9.325 2.763 1.00 0.57 H new ATOM 0 HA ASP A 47 2.881 -9.089 5.177 1.00 0.81 H new ATOM 0 HB2 ASP A 47 0.676 -9.324 6.156 1.00 0.94 H new ATOM 0 HB3 ASP A 47 0.452 -8.503 4.625 1.00 0.94 H new ATOM 595 N GLY A 48 2.308 -12.150 4.258 1.00 1.00 N ATOM 596 CA GLY A 48 2.469 -13.542 4.606 1.00 1.17 C ATOM 597 C GLY A 48 1.354 -14.373 4.021 1.00 1.17 C ATOM 598 O GLY A 48 1.564 -15.516 3.616 1.00 1.42 O ATOM 0 H GLY A 48 2.037 -11.983 3.289 1.00 1.00 H new ATOM 0 HA2 GLY A 48 3.429 -13.904 4.239 1.00 1.17 H new ATOM 0 HA3 GLY A 48 2.480 -13.652 5.690 1.00 1.17 H new ATOM 602 N THR A 49 0.163 -13.789 3.960 1.00 0.98 N ATOM 603 CA THR A 49 -0.967 -14.451 3.338 1.00 1.04 C ATOM 604 C THR A 49 -0.970 -14.151 1.846 1.00 0.95 C ATOM 605 O THR A 49 -1.413 -14.963 1.028 1.00 1.19 O ATOM 606 CB THR A 49 -2.307 -14.006 3.968 1.00 1.07 C ATOM 607 OG1 THR A 49 -2.447 -12.578 3.893 1.00 0.94 O ATOM 608 CG2 THR A 49 -2.395 -14.454 5.420 1.00 1.27 C ATOM 0 H THR A 49 -0.040 -12.862 4.333 1.00 0.98 H new ATOM 0 HA THR A 49 -0.865 -15.524 3.502 1.00 1.04 H new ATOM 0 HB THR A 49 -3.115 -14.474 3.406 1.00 1.07 H new ATOM 0 HG1 THR A 49 -2.119 -12.173 4.723 1.00 0.94 H new ATOM 0 HG21 THR A 49 -3.346 -14.130 5.844 1.00 1.27 H new ATOM 0 HG22 THR A 49 -2.326 -15.541 5.470 1.00 1.27 H new ATOM 0 HG23 THR A 49 -1.576 -14.012 5.987 1.00 1.27 H new ATOM 616 N GLY A 50 -0.446 -12.980 1.501 1.00 0.79 N ATOM 617 CA GLY A 50 -0.319 -12.597 0.112 1.00 0.74 C ATOM 618 C GLY A 50 -0.923 -11.241 -0.167 1.00 0.63 C ATOM 619 O GLY A 50 -1.149 -10.879 -1.322 1.00 0.70 O ATOM 0 H GLY A 50 -0.105 -12.286 2.166 1.00 0.79 H new ATOM 0 HA2 GLY A 50 0.735 -12.586 -0.165 1.00 0.74 H new ATOM 0 HA3 GLY A 50 -0.805 -13.345 -0.515 1.00 0.74 H new ATOM 623 N ASN A 51 -1.189 -10.491 0.889 1.00 0.55 N ATOM 624 CA ASN A 51 -1.745 -9.158 0.757 1.00 0.50 C ATOM 625 C ASN A 51 -0.642 -8.155 0.458 1.00 0.39 C ATOM 626 O ASN A 51 0.468 -8.260 0.985 1.00 0.34 O ATOM 627 CB ASN A 51 -2.513 -8.772 2.023 1.00 0.59 C ATOM 628 CG ASN A 51 -3.908 -9.377 2.053 1.00 0.89 C ATOM 629 OD1 ASN A 51 -4.858 -8.794 1.521 1.00 1.50 O ATOM 630 ND2 ASN A 51 -4.049 -10.544 2.667 1.00 1.34 N ATOM 0 H ASN A 51 -1.027 -10.786 1.852 1.00 0.55 H new ATOM 0 HA ASN A 51 -2.446 -9.150 -0.077 1.00 0.50 H new ATOM 0 HB2 ASN A 51 -1.956 -9.103 2.899 1.00 0.59 H new ATOM 0 HB3 ASN A 51 -2.588 -7.686 2.084 1.00 0.59 H new ATOM 0 HD21 ASN A 51 -4.965 -10.990 2.711 1.00 1.34 H new ATOM 0 HD22 ASN A 51 -3.241 -10.996 3.095 1.00 1.34 H new ATOM 637 N VAL A 52 -0.954 -7.188 -0.393 1.00 0.39 N ATOM 638 CA VAL A 52 0.041 -6.251 -0.893 1.00 0.34 C ATOM 639 C VAL A 52 0.336 -5.166 0.130 1.00 0.30 C ATOM 640 O VAL A 52 -0.511 -4.326 0.424 1.00 0.33 O ATOM 641 CB VAL A 52 -0.424 -5.593 -2.211 1.00 0.41 C ATOM 642 CG1 VAL A 52 0.643 -4.654 -2.758 1.00 0.39 C ATOM 643 CG2 VAL A 52 -0.784 -6.650 -3.241 1.00 0.50 C ATOM 0 H VAL A 52 -1.895 -7.032 -0.753 1.00 0.39 H new ATOM 0 HA VAL A 52 0.951 -6.821 -1.081 1.00 0.34 H new ATOM 0 HB VAL A 52 -1.316 -5.004 -1.996 1.00 0.41 H new ATOM 0 HG11 VAL A 52 0.290 -4.204 -3.686 1.00 0.39 H new ATOM 0 HG12 VAL A 52 0.846 -3.870 -2.029 1.00 0.39 H new ATOM 0 HG13 VAL A 52 1.557 -5.215 -2.951 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -1.109 -6.165 -4.162 1.00 0.50 H new ATOM 0 HG22 VAL A 52 0.088 -7.270 -3.446 1.00 0.50 H new ATOM 0 HG23 VAL A 52 -1.590 -7.274 -2.855 1.00 0.50 H new ATOM 653 N THR A 53 1.538 -5.195 0.673 1.00 0.25 N ATOM 654 CA THR A 53 1.966 -4.200 1.638 1.00 0.23 C ATOM 655 C THR A 53 3.197 -3.467 1.128 1.00 0.21 C ATOM 656 O THR A 53 3.800 -3.869 0.128 1.00 0.23 O ATOM 657 CB THR A 53 2.281 -4.846 3.007 1.00 0.23 C ATOM 658 OG1 THR A 53 3.329 -5.815 2.872 1.00 1.05 O ATOM 659 CG2 THR A 53 1.048 -5.521 3.585 1.00 1.02 C ATOM 0 H THR A 53 2.241 -5.903 0.460 1.00 0.25 H new ATOM 0 HA THR A 53 1.148 -3.492 1.769 1.00 0.23 H new ATOM 0 HB THR A 53 2.602 -4.054 3.683 1.00 0.23 H new ATOM 0 HG1 THR A 53 3.559 -5.918 1.925 1.00 1.05 H new ATOM 0 HG21 THR A 53 1.295 -5.968 4.548 1.00 1.02 H new ATOM 0 HG22 THR A 53 0.258 -4.782 3.720 1.00 1.02 H new ATOM 0 HG23 THR A 53 0.705 -6.298 2.902 1.00 1.02 H new ATOM 667 N CYS A 54 3.573 -2.399 1.807 1.00 0.24 N ATOM 668 CA CYS A 54 4.718 -1.613 1.392 1.00 0.21 C ATOM 669 C CYS A 54 5.708 -1.491 2.537 1.00 0.24 C ATOM 670 O CYS A 54 5.329 -1.184 3.667 1.00 0.29 O ATOM 671 CB CYS A 54 4.268 -0.228 0.924 1.00 0.22 C ATOM 672 SG CYS A 54 5.552 0.722 0.050 1.00 0.19 S ATOM 0 H CYS A 54 3.103 -2.057 2.646 1.00 0.24 H new ATOM 0 HA CYS A 54 5.208 -2.116 0.559 1.00 0.21 H new ATOM 0 HB2 CYS A 54 3.406 -0.342 0.266 1.00 0.22 H new ATOM 0 HB3 CYS A 54 3.935 0.345 1.790 1.00 0.22 H new ATOM 677 N ILE A 55 6.972 -1.747 2.242 1.00 0.24 N ATOM 678 CA ILE A 55 8.022 -1.685 3.245 1.00 0.30 C ATOM 679 C ILE A 55 9.212 -0.902 2.712 1.00 0.28 C ATOM 680 O ILE A 55 9.274 -0.587 1.527 1.00 0.28 O ATOM 681 CB ILE A 55 8.487 -3.090 3.690 1.00 0.37 C ATOM 682 CG1 ILE A 55 8.885 -3.937 2.482 1.00 0.37 C ATOM 683 CG2 ILE A 55 7.395 -3.788 4.488 1.00 0.43 C ATOM 684 CD1 ILE A 55 9.588 -5.221 2.855 1.00 0.47 C ATOM 0 H ILE A 55 7.297 -2.001 1.309 1.00 0.24 H new ATOM 0 HA ILE A 55 7.605 -1.179 4.116 1.00 0.30 H new ATOM 0 HB ILE A 55 9.362 -2.970 4.329 1.00 0.37 H new ATOM 0 HG12 ILE A 55 7.992 -4.175 1.904 1.00 0.37 H new ATOM 0 HG13 ILE A 55 9.536 -3.350 1.835 1.00 0.37 H new ATOM 0 HG21 ILE A 55 7.742 -4.776 4.792 1.00 0.43 H new ATOM 0 HG22 ILE A 55 7.158 -3.198 5.373 1.00 0.43 H new ATOM 0 HG23 ILE A 55 6.503 -3.891 3.871 1.00 0.43 H new ATOM 0 HD11 ILE A 55 9.842 -5.773 1.950 1.00 0.47 H new ATOM 0 HD12 ILE A 55 10.499 -4.990 3.407 1.00 0.47 H new ATOM 0 HD13 ILE A 55 8.931 -5.828 3.478 1.00 0.47 H new ATOM 696 N VAL A 56 10.154 -0.592 3.586 1.00 0.37 N ATOM 697 CA VAL A 56 11.313 0.203 3.206 1.00 0.41 C ATOM 698 C VAL A 56 12.278 -0.619 2.343 1.00 0.44 C ATOM 699 O VAL A 56 12.472 -1.816 2.571 1.00 0.58 O ATOM 700 CB VAL A 56 12.039 0.749 4.460 1.00 0.57 C ATOM 701 CG1 VAL A 56 12.671 -0.373 5.268 1.00 0.74 C ATOM 702 CG2 VAL A 56 13.071 1.795 4.072 1.00 0.57 C ATOM 0 H VAL A 56 10.141 -0.878 4.565 1.00 0.37 H new ATOM 0 HA VAL A 56 10.962 1.050 2.616 1.00 0.41 H new ATOM 0 HB VAL A 56 11.294 1.228 5.095 1.00 0.57 H new ATOM 0 HG11 VAL A 56 13.172 0.045 6.141 1.00 0.74 H new ATOM 0 HG12 VAL A 56 11.897 -1.068 5.592 1.00 0.74 H new ATOM 0 HG13 VAL A 56 13.398 -0.901 4.651 1.00 0.74 H new ATOM 0 HG21 VAL A 56 13.569 2.165 4.968 1.00 0.57 H new ATOM 0 HG22 VAL A 56 13.809 1.349 3.405 1.00 0.57 H new ATOM 0 HG23 VAL A 56 12.577 2.623 3.564 1.00 0.57 H new ATOM 712 N ARG A 57 12.849 0.032 1.330 1.00 0.41 N ATOM 713 CA ARG A 57 13.793 -0.611 0.414 1.00 0.52 C ATOM 714 C ARG A 57 15.161 -0.760 1.077 1.00 0.70 C ATOM 715 O ARG A 57 15.865 -1.749 0.867 1.00 1.66 O ATOM 716 CB ARG A 57 13.908 0.213 -0.873 1.00 0.77 C ATOM 717 CG ARG A 57 14.811 -0.389 -1.937 1.00 1.01 C ATOM 718 CD ARG A 57 14.826 0.475 -3.190 1.00 2.08 C ATOM 719 NE ARG A 57 15.667 -0.086 -4.248 1.00 2.80 N ATOM 720 CZ ARG A 57 15.350 -0.056 -5.543 1.00 3.80 C ATOM 721 NH1 ARG A 57 14.218 0.512 -5.940 1.00 4.23 N ATOM 722 NH2 ARG A 57 16.170 -0.589 -6.443 1.00 4.70 N ATOM 0 H ARG A 57 12.672 1.015 1.121 1.00 0.41 H new ATOM 0 HA ARG A 57 13.424 -1.606 0.165 1.00 0.52 H new ATOM 0 HB2 ARG A 57 12.911 0.344 -1.294 1.00 0.77 H new ATOM 0 HB3 ARG A 57 14.280 1.206 -0.620 1.00 0.77 H new ATOM 0 HG2 ARG A 57 15.824 -0.488 -1.547 1.00 1.01 H new ATOM 0 HG3 ARG A 57 14.466 -1.393 -2.187 1.00 1.01 H new ATOM 0 HD2 ARG A 57 13.808 0.588 -3.562 1.00 2.08 H new ATOM 0 HD3 ARG A 57 15.185 1.472 -2.935 1.00 2.08 H new ATOM 0 HE ARG A 57 16.547 -0.526 -3.979 1.00 2.80 H new ATOM 0 HH11 ARG A 57 13.588 0.927 -5.254 1.00 4.23 H new ATOM 0 HH12 ARG A 57 13.978 0.533 -6.931 1.00 4.23 H new ATOM 0 HH21 ARG A 57 17.044 -1.022 -6.144 1.00 4.70 H new ATOM 0 HH22 ARG A 57 15.926 -0.565 -7.433 1.00 4.70 H new ATOM 736 N GLN A 58 15.538 0.246 1.850 1.00 0.89 N ATOM 737 CA GLN A 58 16.739 0.192 2.670 1.00 1.06 C ATOM 738 C GLN A 58 16.540 1.058 3.904 1.00 1.84 C ATOM 739 O GLN A 58 16.481 0.556 5.027 1.00 2.61 O ATOM 740 CB GLN A 58 17.960 0.680 1.887 1.00 1.42 C ATOM 741 CG GLN A 58 19.255 0.626 2.682 1.00 1.86 C ATOM 742 CD GLN A 58 20.398 1.320 1.971 1.00 2.44 C ATOM 743 OE1 GLN A 58 20.642 2.510 2.180 1.00 3.32 O ATOM 744 NE2 GLN A 58 21.101 0.591 1.120 1.00 2.56 N ATOM 0 H GLN A 58 15.021 1.122 1.927 1.00 0.89 H new ATOM 0 HA GLN A 58 16.916 -0.842 2.965 1.00 1.06 H new ATOM 0 HB2 GLN A 58 18.070 0.074 0.988 1.00 1.42 H new ATOM 0 HB3 GLN A 58 17.786 1.706 1.561 1.00 1.42 H new ATOM 0 HG2 GLN A 58 19.100 1.091 3.656 1.00 1.86 H new ATOM 0 HG3 GLN A 58 19.523 -0.415 2.865 1.00 1.86 H new ATOM 0 HE21 GLN A 58 20.867 -0.391 0.975 1.00 2.56 H new ATOM 0 HE22 GLN A 58 21.877 1.011 0.609 1.00 2.56 H new ATOM 753 N GLU A 59 16.413 2.359 3.670 1.00 2.35 N ATOM 754 CA GLU A 59 16.156 3.329 4.728 1.00 3.39 C ATOM 755 C GLU A 59 15.942 4.705 4.111 1.00 3.51 C ATOM 756 O GLU A 59 16.901 5.381 3.739 1.00 3.94 O ATOM 757 CB GLU A 59 17.313 3.364 5.738 1.00 4.20 C ATOM 758 CG GLU A 59 17.117 4.368 6.867 1.00 4.78 C ATOM 759 CD GLU A 59 15.815 4.161 7.617 1.00 5.50 C ATOM 760 OE1 GLU A 59 14.797 4.760 7.221 1.00 5.99 O ATOM 761 OE2 GLU A 59 15.804 3.403 8.611 1.00 5.82 O ATOM 0 H GLU A 59 16.485 2.772 2.740 1.00 2.35 H new ATOM 0 HA GLU A 59 15.257 3.031 5.267 1.00 3.39 H new ATOM 0 HB2 GLU A 59 17.438 2.370 6.167 1.00 4.20 H new ATOM 0 HB3 GLU A 59 18.236 3.602 5.210 1.00 4.20 H new ATOM 0 HG2 GLU A 59 17.950 4.290 7.566 1.00 4.78 H new ATOM 0 HG3 GLU A 59 17.139 5.378 6.457 1.00 4.78 H new ATOM 768 N SER A 60 14.674 5.100 3.993 1.00 3.52 N ATOM 769 CA SER A 60 14.301 6.342 3.322 1.00 3.65 C ATOM 770 C SER A 60 14.929 6.387 1.928 1.00 3.70 C ATOM 771 O SER A 60 15.386 7.430 1.461 1.00 4.27 O ATOM 772 CB SER A 60 14.736 7.555 4.155 1.00 4.18 C ATOM 773 OG SER A 60 14.061 8.730 3.739 1.00 4.66 O ATOM 0 H SER A 60 13.882 4.571 4.358 1.00 3.52 H new ATOM 0 HA SER A 60 13.217 6.377 3.218 1.00 3.65 H new ATOM 0 HB2 SER A 60 14.531 7.368 5.209 1.00 4.18 H new ATOM 0 HB3 SER A 60 15.812 7.698 4.060 1.00 4.18 H new ATOM 0 HG SER A 60 14.185 8.855 2.775 1.00 4.66 H new ATOM 779 N GLY A 61 14.946 5.236 1.273 1.00 3.38 N ATOM 780 CA GLY A 61 15.629 5.096 0.011 1.00 3.73 C ATOM 781 C GLY A 61 15.983 3.650 -0.230 1.00 4.13 C ATOM 782 O GLY A 61 16.133 2.915 0.766 1.00 4.74 O ATOM 783 OXT GLY A 61 16.102 3.244 -1.402 1.00 4.29 O ATOM 0 H GLY A 61 14.490 4.385 1.603 1.00 3.38 H new ATOM 0 HA2 GLY A 61 14.996 5.463 -0.797 1.00 3.73 H new ATOM 0 HA3 GLY A 61 16.533 5.705 0.009 1.00 3.73 H new TER 787 GLY A 61