USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 373 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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= -0.83! USER MOD Single : A 1 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.9!) USER MOD Single : A 1 ASN N :NH3+ -165:sc= -0.0834 (180deg=-0.32) USER MOD Single : A 2 SER OG : rot 180:sc=0.000332 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.199 USER MOD Single : A 9 SER OG : rot 180:sc= -0.326 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.5!) USER MOD Single : A 21 MET CE :methyl 154:sc= -0.0803 (180deg=-0.746) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -4.53! C(o=-5.5!,f=-4.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00431 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.126 F(o=-0.75,f=-0.13) USER MOD Single : A 37 TYR OH : rot -90:sc= 1.19 USER MOD Single : A 38 SER OG : rot 180:sc= -1.12! USER MOD Single : A 43 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 2.602 0.855 -0.389 1.00 2.77 N ATOM 2 CA ASN A 1 1.178 0.765 0.028 1.00 2.82 C ATOM 3 C ASN A 1 1.096 0.464 1.524 1.00 2.64 C ATOM 4 O ASN A 1 0.141 0.826 2.181 1.00 3.00 O ATOM 5 CB ASN A 1 0.479 -0.367 -0.745 1.00 2.29 C ATOM 6 CG ASN A 1 -1.021 -0.351 -0.431 1.00 2.30 C ATOM 7 OD1 ASN A 1 -1.453 0.185 0.569 1.00 4.39 O ATOM 8 ND2 ASN A 1 -1.848 -0.928 -1.261 1.00 1.37 N ATOM 0 H1 ASN A 1 2.662 1.302 -1.326 1.00 2.77 H new ATOM 0 H2 ASN A 1 3.131 1.425 0.301 1.00 2.77 H new ATOM 0 H3 ASN A 1 3.011 -0.100 -0.435 1.00 2.77 H new ATOM 0 HA ASN A 1 0.688 1.715 -0.186 1.00 2.82 H new ATOM 0 HB2 ASN A 1 0.638 -0.243 -1.816 1.00 2.29 H new ATOM 0 HB3 ASN A 1 0.909 -1.330 -0.469 1.00 2.29 H new ATOM 0 HD21 ASN A 1 -2.849 -0.926 -1.067 1.00 1.37 H new ATOM 0 HD22 ASN A 1 -1.492 -1.380 -2.103 1.00 1.37 H new ATOM 17 N SER A 2 2.106 -0.189 2.034 1.00 2.11 N ATOM 18 CA SER A 2 2.104 -0.524 3.482 1.00 1.90 C ATOM 19 C SER A 2 2.196 0.734 4.349 1.00 1.92 C ATOM 20 O SER A 2 2.857 1.692 4.002 1.00 2.44 O ATOM 21 CB SER A 2 3.319 -1.413 3.766 1.00 1.63 C ATOM 22 OG SER A 2 4.427 -0.636 3.336 1.00 1.69 O ATOM 0 H SER A 2 2.925 -0.502 1.513 1.00 2.11 H new ATOM 0 HA SER A 2 1.172 -1.034 3.725 1.00 1.90 H new ATOM 0 HB2 SER A 2 3.393 -1.660 4.825 1.00 1.63 H new ATOM 0 HB3 SER A 2 3.259 -2.356 3.222 1.00 1.63 H new ATOM 0 HG SER A 2 5.256 -1.137 3.486 1.00 1.69 H new ATOM 28 N TYR A 3 1.515 0.703 5.466 1.00 2.13 N ATOM 29 CA TYR A 3 1.529 1.872 6.395 1.00 2.25 C ATOM 30 C TYR A 3 0.787 1.490 7.691 1.00 1.65 C ATOM 31 O TYR A 3 -0.070 0.628 7.668 1.00 1.27 O ATOM 32 CB TYR A 3 0.813 3.048 5.693 1.00 2.73 C ATOM 33 CG TYR A 3 -0.664 3.095 6.100 1.00 2.42 C ATOM 34 CD1 TYR A 3 -1.483 2.007 5.887 1.00 3.47 C ATOM 35 CD2 TYR A 3 -1.204 4.240 6.650 1.00 2.73 C ATOM 36 CE1 TYR A 3 -2.821 2.066 6.211 1.00 5.41 C ATOM 37 CE2 TYR A 3 -2.542 4.295 6.976 1.00 4.50 C ATOM 38 CZ TYR A 3 -3.360 3.208 6.759 1.00 6.02 C ATOM 39 OH TYR A 3 -4.702 3.267 7.075 1.00 8.18 O ATOM 0 H TYR A 3 0.947 -0.086 5.775 1.00 2.13 H new ATOM 0 HA TYR A 3 2.549 2.161 6.647 1.00 2.25 H new ATOM 0 HB2 TYR A 3 1.299 3.987 5.956 1.00 2.73 H new ATOM 0 HB3 TYR A 3 0.895 2.939 4.612 1.00 2.73 H new ATOM 0 HD1 TYR A 3 -1.073 1.102 5.463 1.00 3.47 H new ATOM 0 HD2 TYR A 3 -0.574 5.099 6.826 1.00 2.73 H new ATOM 0 HE1 TYR A 3 -3.453 1.208 6.033 1.00 5.41 H new ATOM 0 HE2 TYR A 3 -2.952 5.197 7.405 1.00 4.50 H new ATOM 0 HH TYR A 3 -4.911 4.147 7.453 1.00 8.18 H new ATOM 49 N PRO A 4 1.117 2.127 8.804 1.00 1.66 N ATOM 50 CA PRO A 4 0.459 1.823 10.087 1.00 1.17 C ATOM 51 C PRO A 4 -1.057 1.737 9.947 1.00 0.81 C ATOM 52 O PRO A 4 -1.650 2.422 9.137 1.00 0.95 O ATOM 53 CB PRO A 4 0.838 2.999 11.003 1.00 1.31 C ATOM 54 CG PRO A 4 1.923 3.828 10.275 1.00 2.02 C ATOM 55 CD PRO A 4 2.115 3.214 8.879 1.00 2.22 C ATOM 0 HA PRO A 4 0.778 0.856 10.475 1.00 1.17 H new ATOM 0 HB2 PRO A 4 -0.036 3.615 11.217 1.00 1.31 H new ATOM 0 HB3 PRO A 4 1.212 2.634 11.959 1.00 1.31 H new ATOM 0 HG2 PRO A 4 1.619 4.872 10.196 1.00 2.02 H new ATOM 0 HG3 PRO A 4 2.859 3.810 10.834 1.00 2.02 H new ATOM 0 HD2 PRO A 4 1.953 3.954 8.096 1.00 2.22 H new ATOM 0 HD3 PRO A 4 3.127 2.831 8.751 1.00 2.22 H new ATOM 63 N GLY A 5 -1.661 0.888 10.739 1.00 1.07 N ATOM 64 CA GLY A 5 -3.141 0.752 10.656 1.00 0.78 C ATOM 65 C GLY A 5 -3.621 -0.518 11.365 1.00 0.33 C ATOM 66 O GLY A 5 -3.368 -1.608 10.913 1.00 0.42 O ATOM 0 H GLY A 5 -1.200 0.293 11.428 1.00 1.07 H new ATOM 0 HA2 GLY A 5 -3.615 1.624 11.106 1.00 0.78 H new ATOM 0 HA3 GLY A 5 -3.448 0.726 9.611 1.00 0.78 H new ATOM 70 N CYS A 6 -4.325 -0.349 12.453 1.00 0.16 N ATOM 71 CA CYS A 6 -4.824 -1.542 13.192 1.00 0.55 C ATOM 72 C CYS A 6 -5.756 -1.119 14.338 1.00 0.71 C ATOM 73 O CYS A 6 -5.444 -0.190 15.056 1.00 0.78 O ATOM 74 CB CYS A 6 -3.616 -2.234 13.823 1.00 0.80 C ATOM 75 SG CYS A 6 -2.801 -1.361 15.180 1.00 1.32 S ATOM 0 H CYS A 6 -4.573 0.554 12.857 1.00 0.16 H new ATOM 0 HA CYS A 6 -5.364 -2.191 12.502 1.00 0.55 H new ATOM 0 HB2 CYS A 6 -3.935 -3.210 14.189 1.00 0.80 H new ATOM 0 HB3 CYS A 6 -2.878 -2.412 13.041 1.00 0.80 H new ATOM 80 N PRO A 7 -6.893 -1.777 14.498 1.00 0.80 N ATOM 81 CA PRO A 7 -7.821 -1.419 15.576 1.00 0.97 C ATOM 82 C PRO A 7 -7.133 -1.319 16.927 1.00 1.02 C ATOM 83 O PRO A 7 -5.922 -1.374 17.030 1.00 0.94 O ATOM 84 CB PRO A 7 -8.840 -2.565 15.604 1.00 1.02 C ATOM 85 CG PRO A 7 -8.655 -3.382 14.305 1.00 0.91 C ATOM 86 CD PRO A 7 -7.383 -2.872 13.621 1.00 0.80 C ATOM 0 HA PRO A 7 -8.266 -0.441 15.394 1.00 0.97 H new ATOM 0 HB2 PRO A 7 -8.684 -3.196 16.479 1.00 1.02 H new ATOM 0 HB3 PRO A 7 -9.855 -2.174 15.670 1.00 1.02 H new ATOM 0 HG2 PRO A 7 -8.570 -4.445 14.529 1.00 0.91 H new ATOM 0 HG3 PRO A 7 -9.518 -3.262 13.650 1.00 0.91 H new ATOM 0 HD2 PRO A 7 -6.641 -3.664 13.525 1.00 0.80 H new ATOM 0 HD3 PRO A 7 -7.593 -2.509 12.615 1.00 0.80 H new ATOM 94 N SER A 8 -7.935 -1.177 17.937 1.00 1.20 N ATOM 95 CA SER A 8 -7.384 -1.061 19.301 1.00 1.30 C ATOM 96 C SER A 8 -6.375 -2.168 19.616 1.00 1.02 C ATOM 97 O SER A 8 -5.240 -2.100 19.195 1.00 1.68 O ATOM 98 CB SER A 8 -8.549 -1.154 20.293 1.00 1.71 C ATOM 99 OG SER A 8 -9.245 -2.329 19.898 1.00 1.81 O ATOM 0 H SER A 8 -8.952 -1.136 17.873 1.00 1.20 H new ATOM 0 HA SER A 8 -6.860 -0.108 19.380 1.00 1.30 H new ATOM 0 HB2 SER A 8 -8.193 -1.228 21.321 1.00 1.71 H new ATOM 0 HB3 SER A 8 -9.190 -0.274 20.240 1.00 1.71 H new ATOM 0 HG SER A 8 -10.015 -2.467 20.488 1.00 1.81 H new ATOM 105 N SER A 9 -6.834 -3.140 20.373 1.00 0.43 N ATOM 106 CA SER A 9 -5.988 -4.314 20.787 1.00 0.19 C ATOM 107 C SER A 9 -4.588 -4.340 20.166 1.00 0.40 C ATOM 108 O SER A 9 -3.599 -4.377 20.870 1.00 1.37 O ATOM 109 CB SER A 9 -6.714 -5.592 20.356 1.00 0.24 C ATOM 110 OG SER A 9 -6.809 -5.477 18.944 1.00 0.80 O ATOM 0 H SER A 9 -7.788 -3.170 20.732 1.00 0.43 H new ATOM 0 HA SER A 9 -5.851 -4.234 21.865 1.00 0.19 H new ATOM 0 HB2 SER A 9 -6.158 -6.483 20.647 1.00 0.24 H new ATOM 0 HB3 SER A 9 -7.699 -5.666 20.817 1.00 0.24 H new ATOM 0 HG SER A 9 -7.265 -6.265 18.582 1.00 0.80 H new ATOM 116 N TYR A 10 -4.531 -4.320 18.864 1.00 0.68 N ATOM 117 CA TYR A 10 -3.205 -4.346 18.182 1.00 0.63 C ATOM 118 C TYR A 10 -2.246 -3.272 18.693 1.00 0.67 C ATOM 119 O TYR A 10 -1.141 -3.159 18.206 1.00 0.77 O ATOM 120 CB TYR A 10 -3.443 -4.160 16.671 1.00 0.68 C ATOM 121 CG TYR A 10 -4.002 -5.473 16.122 1.00 0.70 C ATOM 122 CD1 TYR A 10 -3.287 -6.640 16.277 1.00 0.76 C ATOM 123 CD2 TYR A 10 -5.279 -5.535 15.606 1.00 0.72 C ATOM 124 CE1 TYR A 10 -3.827 -7.852 15.963 1.00 0.82 C ATOM 125 CE2 TYR A 10 -5.833 -6.760 15.277 1.00 0.72 C ATOM 126 CZ TYR A 10 -5.110 -7.931 15.454 1.00 0.78 C ATOM 127 OH TYR A 10 -5.667 -9.155 15.137 1.00 0.85 O ATOM 0 H TYR A 10 -5.340 -4.287 18.244 1.00 0.68 H new ATOM 0 HA TYR A 10 -2.731 -5.304 18.397 1.00 0.63 H new ATOM 0 HB2 TYR A 10 -4.142 -3.343 16.492 1.00 0.68 H new ATOM 0 HB3 TYR A 10 -2.512 -3.900 16.167 1.00 0.68 H new ATOM 0 HD1 TYR A 10 -2.277 -6.594 16.656 1.00 0.76 H new ATOM 0 HD2 TYR A 10 -5.847 -4.628 15.459 1.00 0.72 H new ATOM 0 HE1 TYR A 10 -3.251 -8.753 16.112 1.00 0.82 H new ATOM 0 HE2 TYR A 10 -6.836 -6.805 14.879 1.00 0.72 H new ATOM 0 HH TYR A 10 -6.575 -9.022 14.793 1.00 0.85 H new ATOM 137 N ASP A 11 -2.662 -2.505 19.663 1.00 1.39 N ATOM 138 CA ASP A 11 -1.746 -1.462 20.181 1.00 1.55 C ATOM 139 C ASP A 11 -0.418 -2.111 20.573 1.00 1.80 C ATOM 140 O ASP A 11 0.585 -1.447 20.736 1.00 2.26 O ATOM 141 CB ASP A 11 -2.387 -0.827 21.424 1.00 1.05 C ATOM 142 CG ASP A 11 -1.337 -0.011 22.184 1.00 0.88 C ATOM 143 OD1 ASP A 11 -0.519 0.589 21.503 1.00 0.47 O ATOM 144 OD2 ASP A 11 -1.412 -0.031 23.402 1.00 1.35 O ATOM 0 H ASP A 11 -3.578 -2.556 20.109 1.00 1.39 H new ATOM 0 HA ASP A 11 -1.568 -0.702 19.420 1.00 1.55 H new ATOM 0 HB2 ASP A 11 -3.218 -0.185 21.130 1.00 1.05 H new ATOM 0 HB3 ASP A 11 -2.797 -1.603 22.071 1.00 1.05 H new ATOM 149 N GLY A 12 -0.446 -3.416 20.712 1.00 1.64 N ATOM 150 CA GLY A 12 0.794 -4.149 21.092 1.00 2.11 C ATOM 151 C GLY A 12 0.468 -5.595 21.491 1.00 1.44 C ATOM 152 O GLY A 12 0.555 -5.953 22.649 1.00 1.72 O ATOM 0 H GLY A 12 -1.272 -3.999 20.578 1.00 1.64 H new ATOM 0 HA2 GLY A 12 1.495 -4.146 20.257 1.00 2.11 H new ATOM 0 HA3 GLY A 12 1.284 -3.639 21.921 1.00 2.11 H new ATOM 156 N TYR A 13 0.098 -6.398 20.523 1.00 1.00 N ATOM 157 CA TYR A 13 -0.234 -7.817 20.841 1.00 0.44 C ATOM 158 C TYR A 13 1.037 -8.652 20.883 1.00 0.37 C ATOM 159 O TYR A 13 1.111 -9.662 21.553 1.00 0.88 O ATOM 160 CB TYR A 13 -1.192 -8.352 19.754 1.00 0.34 C ATOM 161 CG TYR A 13 -0.476 -9.151 18.658 1.00 0.49 C ATOM 162 CD1 TYR A 13 0.011 -10.433 18.868 1.00 0.50 C ATOM 163 CD2 TYR A 13 -0.470 -8.647 17.383 1.00 0.83 C ATOM 164 CE1 TYR A 13 0.481 -11.186 17.800 1.00 0.69 C ATOM 165 CE2 TYR A 13 -0.024 -9.384 16.329 1.00 1.04 C ATOM 166 CZ TYR A 13 0.463 -10.664 16.518 1.00 0.93 C ATOM 167 OH TYR A 13 0.924 -11.407 15.448 1.00 1.15 O ATOM 0 H TYR A 13 0.013 -6.135 19.541 1.00 1.00 H new ATOM 0 HA TYR A 13 -0.715 -7.879 21.817 1.00 0.44 H new ATOM 0 HB2 TYR A 13 -1.946 -8.985 20.223 1.00 0.34 H new ATOM 0 HB3 TYR A 13 -1.719 -7.514 19.298 1.00 0.34 H new ATOM 0 HD1 TYR A 13 0.025 -10.847 19.865 1.00 0.50 H new ATOM 0 HD2 TYR A 13 -0.827 -7.642 17.211 1.00 0.83 H new ATOM 0 HE1 TYR A 13 0.862 -12.182 17.970 1.00 0.69 H new ATOM 0 HE2 TYR A 13 -0.051 -8.964 15.334 1.00 1.04 H new ATOM 0 HH TYR A 13 0.836 -10.884 14.624 1.00 1.15 H new ATOM 177 N CYS A 14 2.015 -8.187 20.171 1.00 0.40 N ATOM 178 CA CYS A 14 3.319 -8.914 20.132 1.00 0.64 C ATOM 179 C CYS A 14 4.368 -8.302 21.060 1.00 0.44 C ATOM 180 O CYS A 14 4.262 -7.160 21.462 1.00 0.47 O ATOM 181 CB CYS A 14 3.893 -8.797 18.724 1.00 1.13 C ATOM 182 SG CYS A 14 2.802 -9.131 17.334 1.00 2.06 S ATOM 0 H CYS A 14 1.975 -7.335 19.612 1.00 0.40 H new ATOM 0 HA CYS A 14 3.117 -9.940 20.441 1.00 0.64 H new ATOM 0 HB2 CYS A 14 4.283 -7.786 18.606 1.00 1.13 H new ATOM 0 HB3 CYS A 14 4.742 -9.477 18.652 1.00 1.13 H new ATOM 187 N LEU A 15 5.361 -9.095 21.382 1.00 0.35 N ATOM 188 CA LEU A 15 6.442 -8.598 22.272 1.00 0.48 C ATOM 189 C LEU A 15 7.407 -7.795 21.402 1.00 0.81 C ATOM 190 O LEU A 15 6.983 -7.199 20.433 1.00 2.75 O ATOM 191 CB LEU A 15 7.209 -9.790 22.891 1.00 0.56 C ATOM 192 CG LEU A 15 6.318 -11.035 22.975 1.00 0.39 C ATOM 193 CD1 LEU A 15 6.617 -11.934 21.770 1.00 0.32 C ATOM 194 CD2 LEU A 15 6.646 -11.798 24.260 1.00 0.62 C ATOM 0 H LEU A 15 5.465 -10.059 21.066 1.00 0.35 H new ATOM 0 HA LEU A 15 6.024 -7.992 23.076 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.091 -10.010 22.290 1.00 0.56 H new ATOM 0 HB3 LEU A 15 7.560 -9.522 23.887 1.00 0.56 H new ATOM 0 HG LEU A 15 5.267 -10.745 22.976 1.00 0.39 H new ATOM 0 HD11 LEU A 15 5.990 -12.825 21.816 1.00 0.32 H new ATOM 0 HD12 LEU A 15 6.407 -11.390 20.849 1.00 0.32 H new ATOM 0 HD13 LEU A 15 7.667 -12.228 21.787 1.00 0.32 H new ATOM 0 HD21 LEU A 15 6.016 -12.685 24.327 1.00 0.62 H new ATOM 0 HD22 LEU A 15 7.694 -12.097 24.248 1.00 0.62 H new ATOM 0 HD23 LEU A 15 6.462 -11.156 25.121 1.00 0.62 H new ATOM 206 N ASN A 16 8.679 -7.804 21.732 1.00 1.18 N ATOM 207 CA ASN A 16 9.651 -7.029 20.899 1.00 0.98 C ATOM 208 C ASN A 16 9.039 -5.711 20.428 1.00 1.03 C ATOM 209 O ASN A 16 8.116 -5.204 21.035 1.00 1.57 O ATOM 210 CB ASN A 16 9.958 -7.877 19.664 1.00 0.79 C ATOM 211 CG ASN A 16 9.658 -9.341 19.983 1.00 0.57 C ATOM 212 OD1 ASN A 16 8.552 -9.811 19.814 1.00 0.66 O ATOM 213 ND2 ASN A 16 10.619 -10.097 20.439 1.00 0.39 N ATOM 0 H ASN A 16 9.078 -8.304 22.526 1.00 1.18 H new ATOM 0 HA ASN A 16 10.543 -6.809 21.486 1.00 0.98 H new ATOM 0 HB2 ASN A 16 9.356 -7.544 18.819 1.00 0.79 H new ATOM 0 HB3 ASN A 16 11.003 -7.760 19.376 1.00 0.79 H new ATOM 0 HD21 ASN A 16 10.439 -11.078 20.652 1.00 0.39 H new ATOM 0 HD22 ASN A 16 11.550 -9.707 20.583 1.00 0.39 H new ATOM 220 N GLY A 17 9.557 -5.180 19.353 1.00 0.48 N ATOM 221 CA GLY A 17 9.001 -3.896 18.839 1.00 0.58 C ATOM 222 C GLY A 17 7.604 -4.155 18.265 1.00 0.78 C ATOM 223 O GLY A 17 6.607 -3.884 18.906 1.00 0.92 O ATOM 0 H GLY A 17 10.330 -5.573 18.815 1.00 0.48 H new ATOM 0 HA2 GLY A 17 8.948 -3.160 19.641 1.00 0.58 H new ATOM 0 HA3 GLY A 17 9.654 -3.483 18.070 1.00 0.58 H new ATOM 227 N GLY A 18 7.562 -4.670 17.063 1.00 0.87 N ATOM 228 CA GLY A 18 6.243 -4.958 16.435 1.00 1.06 C ATOM 229 C GLY A 18 5.672 -3.718 15.756 1.00 1.02 C ATOM 230 O GLY A 18 5.638 -2.649 16.337 1.00 0.94 O ATOM 0 H GLY A 18 8.377 -4.901 16.495 1.00 0.87 H new ATOM 0 HA2 GLY A 18 6.353 -5.758 15.703 1.00 1.06 H new ATOM 0 HA3 GLY A 18 5.546 -5.314 17.194 1.00 1.06 H new ATOM 234 N VAL A 19 5.240 -3.897 14.534 1.00 1.08 N ATOM 235 CA VAL A 19 4.664 -2.779 13.774 1.00 1.07 C ATOM 236 C VAL A 19 3.252 -3.127 13.307 1.00 1.00 C ATOM 237 O VAL A 19 3.061 -3.818 12.327 1.00 0.99 O ATOM 238 CB VAL A 19 5.562 -2.504 12.567 1.00 1.07 C ATOM 239 CG1 VAL A 19 5.083 -1.228 11.874 1.00 1.06 C ATOM 240 CG2 VAL A 19 7.001 -2.312 13.059 1.00 1.14 C ATOM 0 H VAL A 19 5.268 -4.787 14.036 1.00 1.08 H new ATOM 0 HA VAL A 19 4.604 -1.893 14.407 1.00 1.07 H new ATOM 0 HB VAL A 19 5.521 -3.337 11.865 1.00 1.07 H new ATOM 0 HG11 VAL A 19 5.717 -1.023 11.011 1.00 1.06 H new ATOM 0 HG12 VAL A 19 4.052 -1.358 11.544 1.00 1.06 H new ATOM 0 HG13 VAL A 19 5.138 -0.392 12.572 1.00 1.06 H new ATOM 0 HG21 VAL A 19 7.653 -2.115 12.208 1.00 1.14 H new ATOM 0 HG22 VAL A 19 7.040 -1.469 13.749 1.00 1.14 H new ATOM 0 HG23 VAL A 19 7.334 -3.215 13.570 1.00 1.14 H new ATOM 250 N CYS A 20 2.292 -2.623 14.026 1.00 0.96 N ATOM 251 CA CYS A 20 0.867 -2.889 13.682 1.00 0.88 C ATOM 252 C CYS A 20 0.473 -2.299 12.332 1.00 0.82 C ATOM 253 O CYS A 20 0.560 -1.107 12.118 1.00 1.15 O ATOM 254 CB CYS A 20 0.022 -2.284 14.796 1.00 1.10 C ATOM 255 SG CYS A 20 -1.007 -0.853 14.411 1.00 1.22 S ATOM 0 H CYS A 20 2.433 -2.032 14.845 1.00 0.96 H new ATOM 0 HA CYS A 20 0.707 -3.964 13.596 1.00 0.88 H new ATOM 0 HB2 CYS A 20 -0.630 -3.068 15.181 1.00 1.10 H new ATOM 0 HB3 CYS A 20 0.694 -2.001 15.606 1.00 1.10 H new ATOM 260 N MET A 21 0.037 -3.171 11.449 1.00 0.46 N ATOM 261 CA MET A 21 -0.378 -2.724 10.089 1.00 0.47 C ATOM 262 C MET A 21 -1.772 -3.224 9.734 1.00 0.30 C ATOM 263 O MET A 21 -2.395 -3.952 10.485 1.00 0.19 O ATOM 264 CB MET A 21 0.583 -3.338 9.062 1.00 0.54 C ATOM 265 CG MET A 21 1.970 -3.550 9.679 1.00 0.61 C ATOM 266 SD MET A 21 3.390 -3.497 8.558 1.00 0.97 S ATOM 267 CE MET A 21 3.241 -1.758 8.074 1.00 3.92 C ATOM 0 H MET A 21 -0.047 -4.173 11.618 1.00 0.46 H new ATOM 0 HA MET A 21 -0.367 -1.634 10.078 1.00 0.47 H new ATOM 0 HB2 MET A 21 0.187 -4.290 8.709 1.00 0.54 H new ATOM 0 HB3 MET A 21 0.662 -2.684 8.193 1.00 0.54 H new ATOM 0 HG2 MET A 21 2.118 -2.791 10.447 1.00 0.61 H new ATOM 0 HG3 MET A 21 1.972 -4.517 10.182 1.00 0.61 H new ATOM 0 HE1 MET A 21 4.218 -1.378 7.775 1.00 3.92 H new ATOM 0 HE2 MET A 21 2.547 -1.671 7.238 1.00 3.92 H new ATOM 0 HE3 MET A 21 2.868 -1.176 8.917 1.00 3.92 H new ATOM 277 N HIS A 22 -2.218 -2.823 8.570 1.00 0.43 N ATOM 278 CA HIS A 22 -3.561 -3.232 8.092 1.00 0.50 C ATOM 279 C HIS A 22 -3.460 -3.834 6.697 1.00 0.88 C ATOM 280 O HIS A 22 -4.014 -4.881 6.432 1.00 1.04 O ATOM 281 CB HIS A 22 -4.438 -1.973 8.047 1.00 0.57 C ATOM 282 CG HIS A 22 -5.129 -1.847 6.686 1.00 1.16 C ATOM 283 ND1 HIS A 22 -4.647 -1.354 5.487 1.00 1.38 N flip ATOM 284 CD2 HIS A 22 -6.333 -2.166 6.443 1.00 1.71 C flip ATOM 285 CE1 HIS A 22 -5.613 -1.400 4.556 1.00 1.95 C flip ATOM 286 NE2 HIS A 22 -6.631 -1.916 5.224 1.00 2.16 N flip ATOM 0 H HIS A 22 -1.699 -2.224 7.929 1.00 0.43 H new ATOM 0 HA HIS A 22 -3.989 -3.981 8.758 1.00 0.50 H new ATOM 0 HB2 HIS A 22 -5.186 -2.016 8.838 1.00 0.57 H new ATOM 0 HB3 HIS A 22 -3.827 -1.090 8.234 1.00 0.57 H new ATOM 0 HD2 HIS A 22 -7.013 -2.591 7.166 1.00 1.71 H new ATOM 0 HE1 HIS A 22 -5.570 -1.093 3.522 1.00 1.95 H new ATOM 0 HE2 HIS A 22 -7.548 -2.094 4.815 1.00 2.16 H new ATOM 294 N ILE A 23 -2.736 -3.161 5.840 1.00 1.13 N ATOM 295 CA ILE A 23 -2.571 -3.659 4.444 1.00 1.51 C ATOM 296 C ILE A 23 -3.929 -3.887 3.782 1.00 1.34 C ATOM 297 O ILE A 23 -4.919 -4.108 4.445 1.00 1.32 O ATOM 298 CB ILE A 23 -1.800 -4.987 4.480 1.00 1.83 C ATOM 299 CG1 ILE A 23 -0.451 -4.806 5.178 1.00 1.93 C ATOM 300 CG2 ILE A 23 -1.535 -5.430 3.037 1.00 2.29 C ATOM 301 CD1 ILE A 23 -0.053 -6.123 5.849 1.00 2.07 C ATOM 0 H ILE A 23 -2.252 -2.288 6.048 1.00 1.13 H new ATOM 0 HA ILE A 23 -2.025 -2.913 3.867 1.00 1.51 H new ATOM 0 HB ILE A 23 -2.389 -5.727 5.022 1.00 1.83 H new ATOM 0 HG12 ILE A 23 0.309 -4.507 4.456 1.00 1.93 H new ATOM 0 HG13 ILE A 23 -0.516 -4.010 5.920 1.00 1.93 H new ATOM 0 HG21 ILE A 23 -0.988 -6.373 3.040 1.00 2.29 H new ATOM 0 HG22 ILE A 23 -2.484 -5.563 2.517 1.00 2.29 H new ATOM 0 HG23 ILE A 23 -0.945 -4.670 2.526 1.00 2.29 H new ATOM 0 HD11 ILE A 23 0.908 -6.001 6.349 1.00 2.07 H new ATOM 0 HD12 ILE A 23 -0.810 -6.401 6.582 1.00 2.07 H new ATOM 0 HD13 ILE A 23 0.027 -6.906 5.095 1.00 2.07 H new ATOM 313 N GLU A 24 -3.956 -3.816 2.479 1.00 1.23 N ATOM 314 CA GLU A 24 -5.243 -4.030 1.769 1.00 1.05 C ATOM 315 C GLU A 24 -5.401 -5.494 1.365 1.00 1.56 C ATOM 316 O GLU A 24 -6.496 -6.025 1.355 1.00 2.09 O ATOM 317 CB GLU A 24 -5.249 -3.170 0.499 1.00 1.61 C ATOM 318 CG GLU A 24 -4.853 -1.734 0.851 1.00 2.83 C ATOM 319 CD GLU A 24 -5.928 -0.778 0.332 1.00 3.63 C ATOM 320 OE1 GLU A 24 -6.306 -0.961 -0.813 1.00 4.05 O ATOM 321 OE2 GLU A 24 -6.313 0.075 1.113 1.00 4.40 O ATOM 0 H GLU A 24 -3.151 -3.621 1.883 1.00 1.23 H new ATOM 0 HA GLU A 24 -6.063 -3.756 2.433 1.00 1.05 H new ATOM 0 HB2 GLU A 24 -4.554 -3.580 -0.234 1.00 1.61 H new ATOM 0 HB3 GLU A 24 -6.239 -3.184 0.043 1.00 1.61 H new ATOM 0 HG2 GLU A 24 -4.744 -1.628 1.930 1.00 2.83 H new ATOM 0 HG3 GLU A 24 -3.887 -1.491 0.408 1.00 2.83 H new ATOM 328 N SER A 25 -4.301 -6.122 1.043 1.00 3.05 N ATOM 329 CA SER A 25 -4.365 -7.552 0.635 1.00 3.78 C ATOM 330 C SER A 25 -4.639 -8.461 1.832 1.00 4.32 C ATOM 331 O SER A 25 -3.937 -8.419 2.823 1.00 5.81 O ATOM 332 CB SER A 25 -3.011 -7.939 0.032 1.00 4.39 C ATOM 333 OG SER A 25 -2.678 -6.845 -0.809 1.00 4.04 O ATOM 0 H SER A 25 -3.369 -5.709 1.045 1.00 3.05 H new ATOM 0 HA SER A 25 -5.175 -7.675 -0.084 1.00 3.78 H new ATOM 0 HB2 SER A 25 -2.259 -8.089 0.806 1.00 4.39 H new ATOM 0 HB3 SER A 25 -3.078 -8.869 -0.532 1.00 4.39 H new ATOM 0 HG SER A 25 -1.813 -7.013 -1.238 1.00 4.04 H new ATOM 339 N LEU A 26 -5.656 -9.273 1.710 1.00 3.51 N ATOM 340 CA LEU A 26 -5.998 -10.196 2.825 1.00 4.08 C ATOM 341 C LEU A 26 -5.988 -9.459 4.160 1.00 3.29 C ATOM 342 O LEU A 26 -4.953 -9.282 4.771 1.00 3.06 O ATOM 343 CB LEU A 26 -4.941 -11.315 2.871 1.00 5.25 C ATOM 344 CG LEU A 26 -5.432 -12.567 2.119 1.00 6.24 C ATOM 345 CD1 LEU A 26 -6.682 -13.140 2.803 1.00 5.00 C ATOM 346 CD2 LEU A 26 -5.752 -12.213 0.660 1.00 6.71 C ATOM 0 H LEU A 26 -6.260 -9.335 0.890 1.00 3.51 H new ATOM 0 HA LEU A 26 -6.995 -10.603 2.657 1.00 4.08 H new ATOM 0 HB2 LEU A 26 -4.011 -10.961 2.427 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -4.722 -11.571 3.908 1.00 5.25 H new ATOM 0 HG LEU A 26 -4.643 -13.319 2.138 1.00 6.24 H new ATOM 0 HD11 LEU A 26 -7.019 -14.024 2.262 1.00 5.00 H new ATOM 0 HD12 LEU A 26 -6.442 -13.413 3.831 1.00 5.00 H new ATOM 0 HD13 LEU A 26 -7.473 -12.390 2.802 1.00 5.00 H new ATOM 0 HD21 LEU A 26 -6.098 -13.104 0.137 1.00 6.71 H new ATOM 0 HD22 LEU A 26 -6.531 -11.451 0.633 1.00 6.71 H new ATOM 0 HD23 LEU A 26 -4.854 -11.832 0.173 1.00 6.71 H new ATOM 358 N ASP A 27 -7.150 -9.045 4.587 1.00 3.24 N ATOM 359 CA ASP A 27 -7.237 -8.316 5.878 1.00 2.71 C ATOM 360 C ASP A 27 -6.880 -9.235 7.040 1.00 1.56 C ATOM 361 O ASP A 27 -6.891 -10.442 6.898 1.00 3.02 O ATOM 362 CB ASP A 27 -8.682 -7.836 6.051 1.00 3.64 C ATOM 363 CG ASP A 27 -8.958 -6.706 5.058 1.00 5.14 C ATOM 364 OD1 ASP A 27 -8.003 -6.013 4.748 1.00 7.00 O ATOM 365 OD2 ASP A 27 -10.107 -6.600 4.665 1.00 4.47 O ATOM 0 H ASP A 27 -8.036 -9.180 4.099 1.00 3.24 H new ATOM 0 HA ASP A 27 -6.540 -7.478 5.871 1.00 2.71 H new ATOM 0 HB2 ASP A 27 -9.375 -8.661 5.883 1.00 3.64 H new ATOM 0 HB3 ASP A 27 -8.842 -7.487 7.071 1.00 3.64 H new ATOM 370 N SER A 28 -6.563 -8.655 8.168 1.00 1.06 N ATOM 371 CA SER A 28 -6.206 -9.499 9.341 1.00 1.25 C ATOM 372 C SER A 28 -5.581 -8.665 10.461 1.00 1.49 C ATOM 373 O SER A 28 -5.608 -9.064 11.607 1.00 3.21 O ATOM 374 CB SER A 28 -5.190 -10.559 8.888 1.00 1.74 C ATOM 375 OG SER A 28 -4.259 -10.631 9.958 1.00 2.48 O ATOM 0 H SER A 28 -6.536 -7.648 8.325 1.00 1.06 H new ATOM 0 HA SER A 28 -7.115 -9.962 9.725 1.00 1.25 H new ATOM 0 HB2 SER A 28 -5.670 -11.522 8.713 1.00 1.74 H new ATOM 0 HB3 SER A 28 -4.704 -10.271 7.956 1.00 1.74 H new ATOM 0 HG SER A 28 -3.569 -11.294 9.747 1.00 2.48 H new ATOM 381 N TYR A 29 -5.038 -7.525 10.105 1.00 0.68 N ATOM 382 CA TYR A 29 -4.401 -6.642 11.132 1.00 0.49 C ATOM 383 C TYR A 29 -3.326 -7.395 11.915 1.00 0.47 C ATOM 384 O TYR A 29 -3.609 -8.385 12.559 1.00 0.60 O ATOM 385 CB TYR A 29 -5.474 -6.169 12.126 1.00 0.60 C ATOM 386 CG TYR A 29 -6.622 -5.487 11.377 1.00 0.66 C ATOM 387 CD1 TYR A 29 -6.403 -4.318 10.677 1.00 0.73 C ATOM 388 CD2 TYR A 29 -7.894 -6.020 11.408 1.00 0.66 C ATOM 389 CE1 TYR A 29 -7.441 -3.693 10.019 1.00 0.80 C ATOM 390 CE2 TYR A 29 -8.932 -5.392 10.751 1.00 0.72 C ATOM 391 CZ TYR A 29 -8.714 -4.223 10.051 1.00 0.80 C ATOM 392 OH TYR A 29 -9.747 -3.595 9.388 1.00 0.87 O ATOM 0 H TYR A 29 -5.009 -7.169 9.150 1.00 0.68 H new ATOM 0 HA TYR A 29 -3.943 -5.798 10.617 1.00 0.49 H new ATOM 0 HB2 TYR A 29 -5.854 -7.018 12.694 1.00 0.60 H new ATOM 0 HB3 TYR A 29 -5.035 -5.476 12.844 1.00 0.60 H new ATOM 0 HD1 TYR A 29 -5.412 -3.890 10.644 1.00 0.73 H new ATOM 0 HD2 TYR A 29 -8.079 -6.935 11.950 1.00 0.66 H new ATOM 0 HE1 TYR A 29 -7.256 -2.780 9.473 1.00 0.80 H new ATOM 0 HE2 TYR A 29 -9.923 -5.819 10.785 1.00 0.72 H new ATOM 0 HH TYR A 29 -10.575 -4.104 9.515 1.00 0.87 H new ATOM 402 N THR A 30 -2.108 -6.920 11.867 1.00 0.33 N ATOM 403 CA THR A 30 -1.050 -7.647 12.626 1.00 0.45 C ATOM 404 C THR A 30 0.209 -6.817 12.810 1.00 0.45 C ATOM 405 O THR A 30 0.381 -5.780 12.205 1.00 0.34 O ATOM 406 CB THR A 30 -0.684 -8.902 11.833 1.00 0.50 C ATOM 407 OG1 THR A 30 0.539 -9.351 12.382 1.00 0.51 O ATOM 408 CG2 THR A 30 -0.351 -8.548 10.376 1.00 1.05 C ATOM 0 H THR A 30 -1.808 -6.091 11.355 1.00 0.33 H new ATOM 0 HA THR A 30 -1.442 -7.880 13.616 1.00 0.45 H new ATOM 0 HB THR A 30 -1.505 -9.617 11.874 1.00 0.50 H new ATOM 0 HG1 THR A 30 0.830 -10.161 11.914 1.00 0.51 H new ATOM 0 HG21 THR A 30 -0.094 -9.456 9.831 1.00 1.05 H new ATOM 0 HG22 THR A 30 -1.216 -8.077 9.909 1.00 1.05 H new ATOM 0 HG23 THR A 30 0.493 -7.859 10.353 1.00 1.05 H new ATOM 416 N CYS A 31 1.069 -7.316 13.650 1.00 0.72 N ATOM 417 CA CYS A 31 2.339 -6.610 13.919 1.00 0.89 C ATOM 418 C CYS A 31 3.464 -7.193 13.069 1.00 0.79 C ATOM 419 O CYS A 31 3.734 -8.377 13.124 1.00 1.10 O ATOM 420 CB CYS A 31 2.693 -6.820 15.395 1.00 1.24 C ATOM 421 SG CYS A 31 3.742 -8.239 15.791 1.00 1.12 S ATOM 0 H CYS A 31 0.941 -8.189 14.163 1.00 0.72 H new ATOM 0 HA CYS A 31 2.223 -5.553 13.681 1.00 0.89 H new ATOM 0 HB2 CYS A 31 3.190 -5.920 15.756 1.00 1.24 H new ATOM 0 HB3 CYS A 31 1.764 -6.918 15.956 1.00 1.24 H new ATOM 426 N ASN A 32 4.088 -6.370 12.278 1.00 0.75 N ATOM 427 CA ASN A 32 5.187 -6.898 11.440 1.00 0.67 C ATOM 428 C ASN A 32 6.376 -7.193 12.342 1.00 0.70 C ATOM 429 O ASN A 32 6.742 -6.373 13.165 1.00 0.97 O ATOM 430 CB ASN A 32 5.586 -5.836 10.406 1.00 0.73 C ATOM 431 CG ASN A 32 6.018 -6.531 9.110 1.00 0.66 C ATOM 432 OD1 ASN A 32 5.288 -7.503 8.637 1.00 1.14 O flip ATOM 433 ND2 ASN A 32 7.024 -6.193 8.518 1.00 1.56 N flip ATOM 0 H ASN A 32 3.888 -5.375 12.178 1.00 0.75 H new ATOM 0 HA ASN A 32 4.870 -7.805 10.925 1.00 0.67 H new ATOM 0 HB2 ASN A 32 4.747 -5.167 10.212 1.00 0.73 H new ATOM 0 HB3 ASN A 32 6.400 -5.223 10.793 1.00 0.73 H new ATOM 0 HD21 ASN A 32 7.599 -5.434 8.882 1.00 1.56 H new ATOM 0 HD22 ASN A 32 7.293 -6.669 7.657 1.00 1.56 H new ATOM 440 N CYS A 33 6.957 -8.348 12.191 1.00 0.48 N ATOM 441 CA CYS A 33 8.116 -8.676 13.055 1.00 0.52 C ATOM 442 C CYS A 33 9.316 -7.788 12.731 1.00 0.56 C ATOM 443 O CYS A 33 9.124 -6.673 12.290 1.00 0.62 O ATOM 444 CB CYS A 33 8.446 -10.162 12.882 1.00 0.49 C ATOM 445 SG CYS A 33 8.231 -11.200 14.348 1.00 0.46 S ATOM 0 H CYS A 33 6.685 -9.066 11.519 1.00 0.48 H new ATOM 0 HA CYS A 33 7.864 -8.484 14.098 1.00 0.52 H new ATOM 0 HB2 CYS A 33 7.821 -10.562 12.084 1.00 0.49 H new ATOM 0 HB3 CYS A 33 9.481 -10.247 12.550 1.00 0.49 H new ATOM 450 N VAL A 34 10.528 -8.269 12.948 1.00 0.56 N ATOM 451 CA VAL A 34 11.690 -7.391 12.631 1.00 0.59 C ATOM 452 C VAL A 34 12.812 -8.105 11.895 1.00 0.53 C ATOM 453 O VAL A 34 12.788 -9.305 11.694 1.00 0.57 O ATOM 454 CB VAL A 34 12.281 -6.867 13.926 1.00 0.90 C ATOM 455 CG1 VAL A 34 12.272 -5.341 13.917 1.00 1.11 C ATOM 456 CG2 VAL A 34 11.470 -7.370 15.126 1.00 0.92 C ATOM 0 H VAL A 34 10.748 -9.194 13.316 1.00 0.56 H new ATOM 0 HA VAL A 34 11.304 -6.601 11.986 1.00 0.59 H new ATOM 0 HB VAL A 34 13.306 -7.229 14.011 1.00 0.90 H new ATOM 0 HG11 VAL A 34 12.697 -4.969 14.849 1.00 1.11 H new ATOM 0 HG12 VAL A 34 12.865 -4.979 13.077 1.00 1.11 H new ATOM 0 HG13 VAL A 34 11.247 -4.984 13.818 1.00 1.11 H new ATOM 0 HG21 VAL A 34 11.907 -6.985 16.047 1.00 0.92 H new ATOM 0 HG22 VAL A 34 10.440 -7.023 15.040 1.00 0.92 H new ATOM 0 HG23 VAL A 34 11.485 -8.460 15.145 1.00 0.92 H new ATOM 466 N ILE A 35 13.832 -7.338 11.614 1.00 0.54 N ATOM 467 CA ILE A 35 14.990 -7.870 10.898 1.00 0.71 C ATOM 468 C ILE A 35 15.897 -8.587 11.870 1.00 0.79 C ATOM 469 O ILE A 35 16.604 -7.980 12.631 1.00 0.83 O ATOM 470 CB ILE A 35 15.722 -6.680 10.278 1.00 0.76 C ATOM 471 CG1 ILE A 35 15.071 -6.320 8.944 1.00 0.84 C ATOM 472 CG2 ILE A 35 17.176 -7.068 10.022 1.00 0.84 C ATOM 473 CD1 ILE A 35 15.224 -4.817 8.692 1.00 2.18 C ATOM 0 H ILE A 35 13.897 -6.351 11.862 1.00 0.54 H new ATOM 0 HA ILE A 35 14.686 -8.578 10.127 1.00 0.71 H new ATOM 0 HB ILE A 35 15.671 -5.829 10.957 1.00 0.76 H new ATOM 0 HG12 ILE A 35 15.536 -6.885 8.136 1.00 0.84 H new ATOM 0 HG13 ILE A 35 14.016 -6.592 8.957 1.00 0.84 H new ATOM 0 HG21 ILE A 35 17.705 -6.224 9.580 1.00 0.84 H new ATOM 0 HG22 ILE A 35 17.651 -7.341 10.964 1.00 0.84 H new ATOM 0 HG23 ILE A 35 17.211 -7.917 9.339 1.00 0.84 H new ATOM 0 HD11 ILE A 35 14.760 -4.559 7.740 1.00 2.18 H new ATOM 0 HD12 ILE A 35 14.739 -4.262 9.495 1.00 2.18 H new ATOM 0 HD13 ILE A 35 16.283 -4.559 8.661 1.00 2.18 H new ATOM 485 N GLY A 36 15.825 -9.873 11.835 1.00 0.86 N ATOM 486 CA GLY A 36 16.672 -10.681 12.749 1.00 0.99 C ATOM 487 C GLY A 36 15.810 -11.549 13.619 1.00 0.80 C ATOM 488 O GLY A 36 16.261 -12.590 14.064 1.00 0.99 O ATOM 0 H GLY A 36 15.218 -10.408 11.215 1.00 0.86 H new ATOM 0 HA2 GLY A 36 17.358 -11.300 12.170 1.00 0.99 H new ATOM 0 HA3 GLY A 36 17.282 -10.023 13.369 1.00 0.99 H new ATOM 492 N TYR A 37 14.601 -11.110 13.878 1.00 0.42 N ATOM 493 CA TYR A 37 13.747 -11.949 14.728 1.00 0.29 C ATOM 494 C TYR A 37 12.379 -12.260 14.156 1.00 0.42 C ATOM 495 O TYR A 37 11.714 -11.411 13.567 1.00 0.52 O ATOM 496 CB TYR A 37 13.710 -11.482 16.142 1.00 0.16 C ATOM 497 CG TYR A 37 13.575 -10.003 16.471 1.00 0.16 C ATOM 498 CD1 TYR A 37 14.119 -8.981 15.717 1.00 0.32 C ATOM 499 CD2 TYR A 37 13.182 -9.725 17.757 1.00 0.23 C ATOM 500 CE1 TYR A 37 14.286 -7.736 16.258 1.00 0.52 C ATOM 501 CE2 TYR A 37 13.361 -8.494 18.311 1.00 0.45 C ATOM 502 CZ TYR A 37 13.913 -7.472 17.564 1.00 0.59 C ATOM 503 OH TYR A 37 14.088 -6.213 18.104 1.00 0.84 O ATOM 0 H TYR A 37 14.193 -10.237 13.544 1.00 0.42 H new ATOM 0 HA TYR A 37 14.242 -12.920 14.738 1.00 0.29 H new ATOM 0 HB2 TYR A 37 12.879 -11.995 16.627 1.00 0.16 H new ATOM 0 HB3 TYR A 37 14.624 -11.834 16.619 1.00 0.16 H new ATOM 0 HD1 TYR A 37 14.414 -9.166 14.695 1.00 0.32 H new ATOM 0 HD2 TYR A 37 12.719 -10.504 18.345 1.00 0.23 H new ATOM 0 HE1 TYR A 37 14.715 -6.948 15.657 1.00 0.52 H new ATOM 0 HE2 TYR A 37 13.071 -8.317 19.336 1.00 0.45 H new ATOM 0 HH TYR A 37 14.971 -6.157 18.525 1.00 0.84 H new ATOM 513 N SER A 38 11.977 -13.501 14.396 1.00 0.45 N ATOM 514 CA SER A 38 10.643 -13.962 13.877 1.00 0.61 C ATOM 515 C SER A 38 10.032 -15.126 14.673 1.00 0.66 C ATOM 516 O SER A 38 10.177 -15.223 15.872 1.00 0.64 O ATOM 517 CB SER A 38 10.828 -14.430 12.429 1.00 0.75 C ATOM 518 OG SER A 38 11.855 -13.594 11.920 1.00 0.96 O ATOM 0 H SER A 38 12.508 -14.198 14.919 1.00 0.45 H new ATOM 0 HA SER A 38 9.961 -13.117 13.968 1.00 0.61 H new ATOM 0 HB2 SER A 38 11.112 -15.481 12.384 1.00 0.75 H new ATOM 0 HB3 SER A 38 9.907 -14.323 11.856 1.00 0.75 H new ATOM 0 HG SER A 38 12.038 -13.832 10.987 1.00 0.96 H new ATOM 524 N GLY A 39 9.365 -16.001 13.960 1.00 0.98 N ATOM 525 CA GLY A 39 8.718 -17.175 14.621 1.00 1.10 C ATOM 526 C GLY A 39 7.227 -16.860 14.753 1.00 1.16 C ATOM 527 O GLY A 39 6.597 -16.476 13.785 1.00 1.48 O ATOM 0 H GLY A 39 9.241 -15.952 12.949 1.00 0.98 H new ATOM 0 HA2 GLY A 39 8.869 -18.079 14.031 1.00 1.10 H new ATOM 0 HA3 GLY A 39 9.160 -17.356 15.601 1.00 1.10 H new ATOM 531 N ASP A 40 6.676 -17.028 15.922 1.00 1.06 N ATOM 532 CA ASP A 40 5.230 -16.715 16.059 1.00 1.07 C ATOM 533 C ASP A 40 5.080 -15.202 15.929 1.00 0.92 C ATOM 534 O ASP A 40 4.190 -14.700 15.270 1.00 0.94 O ATOM 535 CB ASP A 40 4.751 -17.151 17.449 1.00 1.05 C ATOM 536 CG ASP A 40 3.222 -17.122 17.481 1.00 1.63 C ATOM 537 OD1 ASP A 40 2.651 -17.667 16.551 1.00 1.60 O ATOM 538 OD2 ASP A 40 2.711 -16.555 18.435 1.00 3.08 O ATOM 0 H ASP A 40 7.148 -17.358 16.764 1.00 1.06 H new ATOM 0 HA ASP A 40 4.644 -17.232 15.299 1.00 1.07 H new ATOM 0 HB2 ASP A 40 5.113 -18.154 17.674 1.00 1.05 H new ATOM 0 HB3 ASP A 40 5.156 -16.487 18.212 1.00 1.05 H new ATOM 543 N ARG A 41 5.992 -14.526 16.565 1.00 0.94 N ATOM 544 CA ARG A 41 6.012 -13.041 16.551 1.00 0.83 C ATOM 545 C ARG A 41 7.355 -12.590 17.141 1.00 0.70 C ATOM 546 O ARG A 41 7.419 -12.001 18.202 1.00 0.78 O ATOM 547 CB ARG A 41 4.830 -12.483 17.383 1.00 0.81 C ATOM 548 CG ARG A 41 4.335 -13.515 18.410 1.00 0.81 C ATOM 549 CD ARG A 41 3.715 -12.778 19.605 1.00 0.90 C ATOM 550 NE ARG A 41 3.275 -13.776 20.622 1.00 0.92 N ATOM 551 CZ ARG A 41 2.593 -13.374 21.659 1.00 1.35 C ATOM 552 NH1 ARG A 41 2.629 -12.110 21.987 1.00 1.35 N ATOM 553 NH2 ARG A 41 1.896 -14.246 22.333 1.00 2.92 N ATOM 0 H ARG A 41 6.743 -14.953 17.107 1.00 0.94 H new ATOM 0 HA ARG A 41 5.904 -12.663 15.534 1.00 0.83 H new ATOM 0 HB2 ARG A 41 5.142 -11.574 17.898 1.00 0.81 H new ATOM 0 HB3 ARG A 41 4.012 -12.207 16.718 1.00 0.81 H new ATOM 0 HG2 ARG A 41 3.599 -14.176 17.953 1.00 0.81 H new ATOM 0 HG3 ARG A 41 5.163 -14.141 18.743 1.00 0.81 H new ATOM 0 HD2 ARG A 41 4.441 -12.092 20.041 1.00 0.90 H new ATOM 0 HD3 ARG A 41 2.867 -12.177 19.277 1.00 0.90 H new ATOM 0 HE ARG A 41 3.505 -14.763 20.508 1.00 0.92 H new ATOM 0 HH11 ARG A 41 3.184 -11.456 21.435 1.00 1.35 H new ATOM 0 HH12 ARG A 41 2.102 -11.777 22.795 1.00 1.35 H new ATOM 0 HH21 ARG A 41 1.890 -15.225 22.047 1.00 2.92 H new ATOM 0 HH22 ARG A 41 1.357 -13.949 23.146 1.00 2.92 H new ATOM 567 N CYS A 42 8.406 -12.902 16.416 1.00 0.51 N ATOM 568 CA CYS A 42 9.780 -12.536 16.864 1.00 0.36 C ATOM 569 C CYS A 42 10.033 -13.097 18.245 1.00 0.40 C ATOM 570 O CYS A 42 10.979 -12.720 18.908 1.00 0.37 O ATOM 571 CB CYS A 42 10.002 -11.030 16.819 1.00 0.37 C ATOM 572 SG CYS A 42 8.788 -10.039 15.913 1.00 0.35 S ATOM 0 H CYS A 42 8.365 -13.399 15.526 1.00 0.51 H new ATOM 0 HA CYS A 42 10.500 -12.976 16.174 1.00 0.36 H new ATOM 0 HB2 CYS A 42 10.039 -10.664 17.845 1.00 0.37 H new ATOM 0 HB3 CYS A 42 10.983 -10.846 16.380 1.00 0.37 H new ATOM 577 N GLN A 43 9.163 -14.000 18.659 1.00 0.53 N ATOM 578 CA GLN A 43 9.353 -14.604 19.996 1.00 0.62 C ATOM 579 C GLN A 43 10.790 -15.064 20.005 1.00 0.57 C ATOM 580 O GLN A 43 11.448 -15.129 21.026 1.00 0.60 O ATOM 581 CB GLN A 43 8.424 -15.817 20.146 1.00 0.76 C ATOM 582 CG GLN A 43 9.004 -16.761 21.202 1.00 0.84 C ATOM 583 CD GLN A 43 7.889 -17.650 21.755 1.00 0.96 C ATOM 584 OE1 GLN A 43 6.746 -17.560 21.351 1.00 0.87 O ATOM 585 NE2 GLN A 43 8.179 -18.524 22.681 1.00 2.93 N ATOM 0 H GLN A 43 8.353 -14.329 18.133 1.00 0.53 H new ATOM 0 HA GLN A 43 9.132 -13.909 20.806 1.00 0.62 H new ATOM 0 HB2 GLN A 43 7.425 -15.493 20.439 1.00 0.76 H new ATOM 0 HB3 GLN A 43 8.324 -16.335 19.192 1.00 0.76 H new ATOM 0 HG2 GLN A 43 9.791 -17.375 20.764 1.00 0.84 H new ATOM 0 HG3 GLN A 43 9.460 -16.187 22.008 1.00 0.84 H new ATOM 0 HE21 GLN A 43 9.136 -18.605 23.024 1.00 2.93 H new ATOM 0 HE22 GLN A 43 7.448 -19.126 23.061 1.00 2.93 H new ATOM 594 N THR A 44 11.230 -15.387 18.816 1.00 0.50 N ATOM 595 CA THR A 44 12.611 -15.846 18.630 1.00 0.46 C ATOM 596 C THR A 44 13.413 -14.589 18.368 1.00 0.35 C ATOM 597 O THR A 44 13.720 -14.256 17.227 1.00 0.22 O ATOM 598 CB THR A 44 12.687 -16.765 17.405 1.00 0.44 C ATOM 599 OG1 THR A 44 12.281 -18.040 17.867 1.00 1.32 O ATOM 600 CG2 THR A 44 14.142 -16.965 16.966 1.00 0.95 C ATOM 0 H THR A 44 10.672 -15.347 17.963 1.00 0.50 H new ATOM 0 HA THR A 44 12.980 -16.401 19.492 1.00 0.46 H new ATOM 0 HB THR A 44 12.093 -16.347 16.592 1.00 0.44 H new ATOM 0 HG1 THR A 44 12.306 -18.680 17.125 1.00 1.32 H new ATOM 0 HG21 THR A 44 14.173 -17.620 16.095 1.00 0.95 H new ATOM 0 HG22 THR A 44 14.581 -16.001 16.710 1.00 0.95 H new ATOM 0 HG23 THR A 44 14.709 -17.417 17.780 1.00 0.95 H new ATOM 608 N ARG A 45 13.657 -13.878 19.440 1.00 0.43 N ATOM 609 CA ARG A 45 14.427 -12.619 19.350 1.00 0.36 C ATOM 610 C ARG A 45 15.910 -12.884 19.416 1.00 0.47 C ATOM 611 O ARG A 45 16.396 -13.503 20.341 1.00 0.65 O ATOM 612 CB ARG A 45 13.999 -11.711 20.525 1.00 0.44 C ATOM 613 CG ARG A 45 14.981 -10.553 20.693 1.00 0.49 C ATOM 614 CD ARG A 45 14.386 -9.556 21.686 1.00 0.53 C ATOM 615 NE ARG A 45 14.417 -10.168 23.043 1.00 0.43 N ATOM 616 CZ ARG A 45 14.630 -9.415 24.084 1.00 1.19 C ATOM 617 NH1 ARG A 45 14.252 -8.166 24.046 1.00 1.83 N ATOM 618 NH2 ARG A 45 15.213 -9.937 25.126 1.00 1.78 N ATOM 0 H ARG A 45 13.348 -14.126 20.380 1.00 0.43 H new ATOM 0 HA ARG A 45 14.222 -12.134 18.396 1.00 0.36 H new ATOM 0 HB2 ARG A 45 12.997 -11.322 20.345 1.00 0.44 H new ATOM 0 HB3 ARG A 45 13.954 -12.294 21.445 1.00 0.44 H new ATOM 0 HG2 ARG A 45 15.942 -10.920 21.054 1.00 0.49 H new ATOM 0 HG3 ARG A 45 15.164 -10.069 19.734 1.00 0.49 H new ATOM 0 HD2 ARG A 45 14.955 -8.626 21.676 1.00 0.53 H new ATOM 0 HD3 ARG A 45 13.363 -9.307 21.406 1.00 0.53 H new ATOM 0 HE ARG A 45 14.272 -11.171 23.157 1.00 0.43 H new ATOM 0 HH11 ARG A 45 13.798 -7.796 23.211 1.00 1.83 H new ATOM 0 HH12 ARG A 45 14.410 -7.561 24.851 1.00 1.83 H new ATOM 0 HH21 ARG A 45 15.493 -10.918 25.116 1.00 1.78 H new ATOM 0 HH22 ARG A 45 15.389 -9.365 25.952 1.00 1.78 H new ATOM 632 N ASP A 46 16.603 -12.430 18.408 1.00 0.45 N ATOM 633 CA ASP A 46 18.057 -12.646 18.406 1.00 0.66 C ATOM 634 C ASP A 46 18.717 -11.655 19.352 1.00 0.75 C ATOM 635 O ASP A 46 19.696 -11.014 19.029 1.00 0.87 O ATOM 636 CB ASP A 46 18.606 -12.457 16.986 1.00 0.73 C ATOM 637 CG ASP A 46 19.833 -13.352 16.791 1.00 1.44 C ATOM 638 OD1 ASP A 46 20.700 -13.273 17.646 1.00 1.87 O ATOM 639 OD2 ASP A 46 19.834 -14.061 15.800 1.00 2.01 O ATOM 0 H ASP A 46 16.225 -11.929 17.604 1.00 0.45 H new ATOM 0 HA ASP A 46 18.274 -13.661 18.739 1.00 0.66 H new ATOM 0 HB2 ASP A 46 17.840 -12.707 16.252 1.00 0.73 H new ATOM 0 HB3 ASP A 46 18.874 -11.413 16.824 1.00 0.73 H new ATOM 644 N LEU A 47 18.132 -11.558 20.504 1.00 0.75 N ATOM 645 CA LEU A 47 18.644 -10.638 21.543 1.00 0.84 C ATOM 646 C LEU A 47 19.011 -9.284 21.005 1.00 0.69 C ATOM 647 O LEU A 47 18.121 -8.483 20.795 1.00 0.95 O ATOM 648 CB LEU A 47 19.878 -11.260 22.208 1.00 1.17 C ATOM 649 CG LEU A 47 19.451 -12.410 23.125 1.00 1.19 C ATOM 650 CD1 LEU A 47 20.162 -13.693 22.688 1.00 1.03 C ATOM 651 CD2 LEU A 47 19.857 -12.077 24.563 1.00 1.70 C ATOM 0 H LEU A 47 17.304 -12.088 20.774 1.00 0.75 H new ATOM 0 HA LEU A 47 17.838 -10.493 22.262 1.00 0.84 H new ATOM 0 HB2 LEU A 47 20.566 -11.627 21.447 1.00 1.17 H new ATOM 0 HB3 LEU A 47 20.412 -10.504 22.783 1.00 1.17 H new ATOM 0 HG LEU A 47 18.372 -12.549 23.066 1.00 1.19 H new ATOM 0 HD11 LEU A 47 19.861 -14.515 23.338 1.00 1.03 H new ATOM 0 HD12 LEU A 47 19.891 -13.927 21.658 1.00 1.03 H new ATOM 0 HD13 LEU A 47 21.241 -13.552 22.756 1.00 1.03 H new ATOM 0 HD21 LEU A 47 19.557 -12.891 25.223 1.00 1.70 H new ATOM 0 HD22 LEU A 47 20.938 -11.947 24.615 1.00 1.70 H new ATOM 0 HD23 LEU A 47 19.366 -11.156 24.876 1.00 1.70 H new ATOM 663 N ARG A 48 20.287 -9.023 20.784 1.00 1.74 N ATOM 664 CA ARG A 48 20.601 -7.673 20.266 1.00 1.65 C ATOM 665 C ARG A 48 21.489 -7.555 19.020 1.00 1.90 C ATOM 666 O ARG A 48 22.698 -7.669 19.070 1.00 2.37 O ATOM 667 CB ARG A 48 21.193 -6.833 21.414 1.00 1.74 C ATOM 668 CG ARG A 48 20.074 -6.486 22.435 1.00 1.51 C ATOM 669 CD ARG A 48 19.469 -5.097 22.142 1.00 3.40 C ATOM 670 NE ARG A 48 20.293 -4.047 22.827 1.00 4.67 N ATOM 671 CZ ARG A 48 20.340 -3.990 24.137 1.00 5.38 C ATOM 672 NH1 ARG A 48 21.226 -4.708 24.775 1.00 5.60 N ATOM 673 NH2 ARG A 48 19.512 -3.197 24.762 1.00 6.11 N ATOM 0 H ARG A 48 21.073 -9.655 20.934 1.00 1.74 H new ATOM 0 HA ARG A 48 19.642 -7.302 19.904 1.00 1.65 H new ATOM 0 HB2 ARG A 48 21.992 -7.386 21.908 1.00 1.74 H new ATOM 0 HB3 ARG A 48 21.635 -5.919 21.019 1.00 1.74 H new ATOM 0 HG2 ARG A 48 19.291 -7.244 22.394 1.00 1.51 H new ATOM 0 HG3 ARG A 48 20.481 -6.503 23.446 1.00 1.51 H new ATOM 0 HD2 ARG A 48 19.447 -4.916 21.067 1.00 3.40 H new ATOM 0 HD3 ARG A 48 18.438 -5.054 22.494 1.00 3.40 H new ATOM 0 HE ARG A 48 20.820 -3.373 22.271 1.00 4.67 H new ATOM 0 HH11 ARG A 48 21.870 -5.303 24.255 1.00 5.60 H new ATOM 0 HH12 ARG A 48 21.273 -4.673 25.793 1.00 5.60 H new ATOM 0 HH21 ARG A 48 18.845 -2.636 24.232 1.00 6.11 H new ATOM 0 HH22 ARG A 48 19.532 -3.138 25.780 1.00 6.11 H new ATOM 687 N TRP A 49 20.805 -7.309 17.928 1.00 1.76 N ATOM 688 CA TRP A 49 21.444 -7.135 16.600 1.00 2.14 C ATOM 689 C TRP A 49 21.239 -5.636 16.304 1.00 1.66 C ATOM 690 O TRP A 49 22.128 -4.919 15.888 1.00 1.71 O ATOM 691 CB TRP A 49 20.717 -8.019 15.559 1.00 2.85 C ATOM 692 CG TRP A 49 19.227 -7.631 15.404 1.00 2.54 C ATOM 693 CD1 TRP A 49 18.186 -8.329 15.924 1.00 2.08 C ATOM 694 CD2 TRP A 49 18.759 -6.627 14.642 1.00 3.28 C ATOM 695 NE1 TRP A 49 17.116 -7.705 15.437 1.00 2.85 N ATOM 696 CE2 TRP A 49 17.376 -6.645 14.639 1.00 3.66 C ATOM 697 CE3 TRP A 49 19.420 -5.664 13.901 1.00 3.92 C ATOM 698 CZ2 TRP A 49 16.666 -5.713 13.905 1.00 4.77 C ATOM 699 CZ3 TRP A 49 18.707 -4.734 13.169 1.00 4.85 C ATOM 700 CH2 TRP A 49 17.331 -4.760 13.171 1.00 5.32 C ATOM 0 H TRP A 49 19.789 -7.220 17.911 1.00 1.76 H new ATOM 0 HA TRP A 49 22.495 -7.423 16.569 1.00 2.14 H new ATOM 0 HB2 TRP A 49 21.217 -7.928 14.595 1.00 2.85 H new ATOM 0 HB3 TRP A 49 20.790 -9.065 15.858 1.00 2.85 H new ATOM 0 HD1 TRP A 49 18.218 -9.188 16.578 1.00 2.08 H new ATOM 0 HE1 TRP A 49 16.165 -8.006 15.651 1.00 2.85 H new ATOM 0 HE3 TRP A 49 20.500 -5.639 13.895 1.00 3.92 H new ATOM 0 HZ2 TRP A 49 15.586 -5.734 13.908 1.00 4.77 H new ATOM 0 HZ3 TRP A 49 19.231 -3.985 12.594 1.00 4.85 H new ATOM 0 HH2 TRP A 49 16.775 -4.033 12.597 1.00 5.32 H new ATOM 711 N TRP A 50 20.011 -5.252 16.539 1.00 1.41 N ATOM 712 CA TRP A 50 19.506 -3.851 16.361 1.00 1.60 C ATOM 713 C TRP A 50 20.120 -2.898 17.401 1.00 1.15 C ATOM 714 O TRP A 50 21.275 -2.552 17.313 1.00 0.73 O ATOM 715 CB TRP A 50 17.989 -3.874 16.679 1.00 2.38 C ATOM 716 CG TRP A 50 17.746 -4.591 18.049 1.00 2.06 C ATOM 717 CD1 TRP A 50 18.515 -5.599 18.507 1.00 2.88 C ATOM 718 CD2 TRP A 50 16.667 -4.470 18.830 1.00 2.12 C ATOM 719 NE1 TRP A 50 17.805 -6.093 19.505 1.00 2.53 N ATOM 720 CE2 TRP A 50 16.693 -5.475 19.774 1.00 1.48 C ATOM 721 CE3 TRP A 50 15.764 -3.450 18.988 1.00 3.47 C ATOM 722 CZ2 TRP A 50 15.850 -5.527 20.826 1.00 1.30 C ATOM 723 CZ3 TRP A 50 14.912 -3.462 20.078 1.00 3.83 C ATOM 724 CH2 TRP A 50 14.958 -4.508 20.999 1.00 2.59 C ATOM 0 H TRP A 50 19.291 -5.895 16.869 1.00 1.41 H new ATOM 0 HA TRP A 50 19.751 -3.519 15.352 1.00 1.60 H new ATOM 0 HB2 TRP A 50 17.600 -2.856 16.717 1.00 2.38 H new ATOM 0 HB3 TRP A 50 17.450 -4.392 15.886 1.00 2.38 H new ATOM 0 HD1 TRP A 50 19.479 -5.924 18.145 1.00 2.88 H new ATOM 0 HE1 TRP A 50 18.111 -6.910 20.033 1.00 2.53 H new ATOM 0 HE3 TRP A 50 15.718 -2.646 18.269 1.00 3.47 H new ATOM 0 HZ2 TRP A 50 15.880 -6.357 21.516 1.00 1.30 H new ATOM 0 HZ3 TRP A 50 14.207 -2.656 20.216 1.00 3.83 H new ATOM 0 HH2 TRP A 50 14.290 -4.512 21.847 1.00 2.59 H new ATOM 735 N GLU A 51 19.262 -2.515 18.355 1.00 1.86 N ATOM 736 CA GLU A 51 19.593 -1.603 19.486 1.00 2.55 C ATOM 737 C GLU A 51 18.978 -0.229 19.250 1.00 1.95 C ATOM 738 O GLU A 51 18.998 0.631 20.111 1.00 3.34 O ATOM 739 CB GLU A 51 21.106 -1.514 19.695 1.00 5.11 C ATOM 740 CG GLU A 51 21.733 -0.472 18.751 1.00 6.04 C ATOM 741 CD GLU A 51 21.859 0.863 19.488 1.00 5.87 C ATOM 742 OE1 GLU A 51 22.533 0.860 20.505 1.00 5.92 O ATOM 743 OE2 GLU A 51 21.278 1.814 18.990 1.00 6.03 O ATOM 0 H GLU A 51 18.293 -2.831 18.373 1.00 1.86 H new ATOM 0 HA GLU A 51 19.165 -2.013 20.401 1.00 2.55 H new ATOM 0 HB2 GLU A 51 21.319 -1.247 20.730 1.00 5.11 H new ATOM 0 HB3 GLU A 51 21.559 -2.489 19.518 1.00 5.11 H new ATOM 0 HG2 GLU A 51 22.714 -0.810 18.416 1.00 6.04 H new ATOM 0 HG3 GLU A 51 21.116 -0.353 17.860 1.00 6.04 H new ATOM 750 N LEU A 52 18.440 -0.062 18.079 1.00 2.20 N ATOM 751 CA LEU A 52 17.800 1.236 17.739 1.00 4.14 C ATOM 752 C LEU A 52 16.443 1.307 18.439 1.00 4.14 C ATOM 753 O LEU A 52 15.413 1.098 17.829 1.00 4.31 O ATOM 754 CB LEU A 52 17.589 1.295 16.210 1.00 5.29 C ATOM 755 CG LEU A 52 16.891 2.613 15.798 1.00 7.34 C ATOM 756 CD1 LEU A 52 17.853 3.796 15.961 1.00 6.92 C ATOM 757 CD2 LEU A 52 16.469 2.515 14.331 1.00 10.00 C ATOM 0 H LEU A 52 18.415 -0.767 17.342 1.00 2.20 H new ATOM 0 HA LEU A 52 18.427 2.068 18.059 1.00 4.14 H new ATOM 0 HB2 LEU A 52 18.551 1.214 15.703 1.00 5.29 H new ATOM 0 HB3 LEU A 52 16.987 0.445 15.889 1.00 5.29 H new ATOM 0 HG LEU A 52 16.020 2.770 16.434 1.00 7.34 H new ATOM 0 HD11 LEU A 52 17.350 4.717 15.668 1.00 6.92 H new ATOM 0 HD12 LEU A 52 18.166 3.869 17.002 1.00 6.92 H new ATOM 0 HD13 LEU A 52 18.728 3.643 15.329 1.00 6.92 H new ATOM 0 HD21 LEU A 52 15.976 3.440 14.032 1.00 10.00 H new ATOM 0 HD22 LEU A 52 17.350 2.356 13.709 1.00 10.00 H new ATOM 0 HD23 LEU A 52 15.780 1.680 14.206 1.00 10.00 H new ATOM 769 N ARG A 53 16.467 1.565 19.718 1.00 4.50 N ATOM 770 CA ARG A 53 15.178 1.644 20.454 1.00 4.49 C ATOM 771 C ARG A 53 14.586 3.046 20.346 1.00 4.82 C ATOM 772 O ARG A 53 13.391 3.146 20.560 1.00 4.66 O ATOM 773 CB ARG A 53 15.426 1.325 21.934 1.00 3.30 C ATOM 774 CG ARG A 53 14.339 0.362 22.421 1.00 3.61 C ATOM 775 CD ARG A 53 14.320 0.349 23.951 1.00 2.76 C ATOM 776 NE ARG A 53 13.727 -0.938 24.421 1.00 3.81 N ATOM 777 CZ ARG A 53 12.485 -1.223 24.128 1.00 5.65 C ATOM 778 NH1 ARG A 53 12.192 -1.610 22.916 1.00 7.28 N ATOM 779 NH2 ARG A 53 11.577 -1.118 25.059 1.00 6.13 N ATOM 780 OXT ARG A 53 15.364 3.938 20.051 1.00 5.54 O ATOM 0 H ARG A 53 17.307 1.722 20.275 1.00 4.50 H new ATOM 0 HA ARG A 53 14.480 0.928 20.020 1.00 4.49 H new ATOM 0 HB2 ARG A 53 16.412 0.878 22.064 1.00 3.30 H new ATOM 0 HB3 ARG A 53 15.411 2.241 22.525 1.00 3.30 H new ATOM 0 HG2 ARG A 53 13.366 0.670 22.037 1.00 3.61 H new ATOM 0 HG3 ARG A 53 14.529 -0.641 22.040 1.00 3.61 H new ATOM 0 HD2 ARG A 53 15.332 0.461 24.341 1.00 2.76 H new ATOM 0 HD3 ARG A 53 13.738 1.191 24.327 1.00 2.76 H new ATOM 0 HE ARG A 53 14.288 -1.591 24.968 1.00 3.81 H new ATOM 0 HH11 ARG A 53 12.927 -1.686 22.213 1.00 7.28 H new ATOM 0 HH12 ARG A 53 11.228 -1.836 22.672 1.00 7.28 H new ATOM 0 HH21 ARG A 53 11.841 -0.818 25.997 1.00 6.13 H new ATOM 0 HH22 ARG A 53 10.603 -1.336 24.848 1.00 6.13 H new TER 794 ARG A 53