USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 1 MET N :NH3+ -172:sc= 0.114 (180deg=0.0573) USER MOD Set 1.2: A 22 THR OG1 : rot 110:sc= 0.117 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 12 THR OG1 : rot -90:sc= 0.687 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.358 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.895 0.545 -5.248 1.00 0.00 N ATOM 2 CA MET A 1 -7.555 -0.326 -4.232 1.00 0.00 C ATOM 3 C MET A 1 -6.544 -0.854 -3.212 1.00 0.00 C ATOM 4 O MET A 1 -5.359 -0.517 -3.270 1.00 0.00 O ATOM 5 CB MET A 1 -8.242 -1.493 -4.954 1.00 0.00 C ATOM 6 CG MET A 1 -9.593 -1.874 -4.363 1.00 0.00 C ATOM 7 SD MET A 1 -9.819 -3.658 -4.251 1.00 0.00 S ATOM 8 CE MET A 1 -10.135 -4.066 -5.968 1.00 0.00 C ATOM 0 H1 MET A 1 -7.620 0.995 -5.842 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.337 1.279 -4.766 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.267 -0.031 -5.844 1.00 0.00 H new ATOM 0 HA MET A 1 -8.293 0.262 -3.686 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.376 -1.230 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.585 -2.363 -4.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.688 -1.436 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.387 -1.448 -4.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.296 -5.140 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.023 -3.534 -6.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.279 -3.772 -6.575 1.00 0.00 H new ATOM 20 N ASN A 2 -7.017 -1.681 -2.277 1.00 0.00 N ATOM 21 CA ASN A 2 -6.153 -2.250 -1.246 1.00 0.00 C ATOM 22 C ASN A 2 -5.453 -3.515 -1.744 1.00 0.00 C ATOM 23 O ASN A 2 -6.015 -4.283 -2.529 1.00 0.00 O ATOM 24 CB ASN A 2 -6.958 -2.567 0.019 1.00 0.00 C ATOM 25 CG ASN A 2 -6.890 -1.451 1.045 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.847 -1.218 1.656 1.00 0.00 O ATOM 27 ND2 ASN A 2 -8.005 -0.755 1.245 1.00 0.00 N ATOM 0 H ASN A 2 -7.993 -1.970 -2.214 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.393 -1.506 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.999 -2.745 -0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.582 -3.489 0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.017 0.004 1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.848 -0.980 0.718 1.00 0.00 H new ATOM 34 N VAL A 3 -4.222 -3.714 -1.281 1.00 0.00 N ATOM 35 CA VAL A 3 -3.419 -4.871 -1.659 1.00 0.00 C ATOM 36 C VAL A 3 -2.888 -5.585 -0.419 1.00 0.00 C ATOM 37 O VAL A 3 -2.477 -4.941 0.549 1.00 0.00 O ATOM 38 CB VAL A 3 -2.229 -4.456 -2.556 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.482 -5.680 -3.069 1.00 0.00 C ATOM 40 CG2 VAL A 3 -2.706 -3.595 -3.716 1.00 0.00 C ATOM 0 H VAL A 3 -3.755 -3.079 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.064 -5.548 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.539 -3.867 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.650 -5.362 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.100 -6.254 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.160 -6.302 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.854 -3.314 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.421 -4.157 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.186 -2.696 -3.329 1.00 0.00 H new ATOM 50 N THR A 4 -2.897 -6.917 -0.450 1.00 0.00 N ATOM 51 CA THR A 4 -2.418 -7.708 0.683 1.00 0.00 C ATOM 52 C THR A 4 -0.895 -7.681 0.747 1.00 0.00 C ATOM 53 O THR A 4 -0.213 -8.203 -0.139 1.00 0.00 O ATOM 54 CB THR A 4 -2.913 -9.156 0.582 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.160 -9.220 -0.088 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.082 -9.822 1.931 1.00 0.00 C ATOM 0 H THR A 4 -3.228 -7.468 -1.242 1.00 0.00 H new ATOM 0 HA THR A 4 -2.817 -7.267 1.596 1.00 0.00 H new ATOM 0 HB THR A 4 -2.141 -9.686 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.455 -10.153 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.434 -10.844 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.125 -9.836 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.809 -9.266 2.523 1.00 0.00 H new ATOM 64 N VAL A 5 -0.371 -7.058 1.800 1.00 0.00 N ATOM 65 CA VAL A 5 1.070 -6.942 1.993 1.00 0.00 C ATOM 66 C VAL A 5 1.519 -7.645 3.273 1.00 0.00 C ATOM 67 O VAL A 5 0.871 -7.532 4.315 1.00 0.00 O ATOM 68 CB VAL A 5 1.514 -5.463 2.043 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.236 -4.775 0.714 1.00 0.00 C ATOM 70 CG2 VAL A 5 0.827 -4.725 3.184 1.00 0.00 C ATOM 0 H VAL A 5 -0.928 -6.624 2.536 1.00 0.00 H new ATOM 0 HA VAL A 5 1.541 -7.426 1.138 1.00 0.00 H new ATOM 0 HB VAL A 5 2.588 -5.439 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.556 -3.734 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.785 -5.282 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.168 -4.816 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.157 -3.686 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.253 -4.761 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.084 -5.199 4.131 1.00 0.00 H new ATOM 80 N GLU A 6 2.636 -8.365 3.187 1.00 0.00 N ATOM 81 CA GLU A 6 3.177 -9.080 4.338 1.00 0.00 C ATOM 82 C GLU A 6 3.984 -8.136 5.224 1.00 0.00 C ATOM 83 O GLU A 6 5.021 -7.612 4.807 1.00 0.00 O ATOM 84 CB GLU A 6 4.053 -10.251 3.878 1.00 0.00 C ATOM 85 CG GLU A 6 4.427 -11.212 4.995 1.00 0.00 C ATOM 86 CD GLU A 6 3.275 -12.110 5.398 1.00 0.00 C ATOM 87 OE1 GLU A 6 2.429 -11.665 6.200 1.00 0.00 O ATOM 88 OE2 GLU A 6 3.213 -13.256 4.906 1.00 0.00 O ATOM 0 H GLU A 6 3.183 -8.468 2.332 1.00 0.00 H new ATOM 0 HA GLU A 6 2.343 -9.474 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.527 -10.802 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.965 -9.857 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.268 -11.827 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.761 -10.643 5.863 1.00 0.00 H new ATOM 95 N VAL A 7 3.501 -7.920 6.447 1.00 0.00 N ATOM 96 CA VAL A 7 4.172 -7.038 7.395 1.00 0.00 C ATOM 97 C VAL A 7 5.176 -7.813 8.240 1.00 0.00 C ATOM 98 O VAL A 7 4.865 -8.885 8.764 1.00 0.00 O ATOM 99 CB VAL A 7 3.165 -6.330 8.329 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.829 -5.168 9.055 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.945 -5.854 7.549 1.00 0.00 C ATOM 0 H VAL A 7 2.645 -8.346 6.803 1.00 0.00 H new ATOM 0 HA VAL A 7 4.694 -6.282 6.808 1.00 0.00 H new ATOM 0 HB VAL A 7 2.830 -7.050 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.102 -4.684 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.661 -5.540 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.199 -4.447 8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.250 -5.359 8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.259 -5.153 6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.453 -6.709 7.086 1.00 0.00 H new ATOM 111 N VAL A 8 6.382 -7.264 8.371 1.00 0.00 N ATOM 112 CA VAL A 8 7.436 -7.903 9.156 1.00 0.00 C ATOM 113 C VAL A 8 7.135 -7.800 10.650 1.00 0.00 C ATOM 114 O VAL A 8 6.999 -6.699 11.191 1.00 0.00 O ATOM 115 CB VAL A 8 8.818 -7.273 8.873 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.924 -8.081 9.538 1.00 0.00 C ATOM 117 CG2 VAL A 8 9.061 -7.154 7.374 1.00 0.00 C ATOM 0 H VAL A 8 6.653 -6.378 7.944 1.00 0.00 H new ATOM 0 HA VAL A 8 7.463 -8.952 8.860 1.00 0.00 H new ATOM 0 HB VAL A 8 8.828 -6.269 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.889 -7.620 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.761 -8.103 10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.915 -9.099 9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.040 -6.708 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.027 -8.144 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.290 -6.524 6.929 1.00 0.00 H new ATOM 127 N GLY A 9 7.027 -8.955 11.310 1.00 0.00 N ATOM 128 CA GLY A 9 6.739 -8.981 12.736 1.00 0.00 C ATOM 129 C GLY A 9 5.252 -8.885 13.029 1.00 0.00 C ATOM 130 O GLY A 9 4.685 -9.761 13.685 1.00 0.00 O ATOM 0 H GLY A 9 7.134 -9.874 10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.132 -9.902 13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.257 -8.155 13.223 1.00 0.00 H new ATOM 134 N GLU A 10 4.622 -7.820 12.537 1.00 0.00 N ATOM 135 CA GLU A 10 3.191 -7.601 12.739 1.00 0.00 C ATOM 136 C GLU A 10 2.364 -8.485 11.801 1.00 0.00 C ATOM 137 O GLU A 10 2.887 -9.026 10.825 1.00 0.00 O ATOM 138 CB GLU A 10 2.842 -6.127 12.510 1.00 0.00 C ATOM 139 CG GLU A 10 3.239 -5.223 13.666 1.00 0.00 C ATOM 140 CD GLU A 10 2.203 -5.203 14.771 1.00 0.00 C ATOM 141 OE1 GLU A 10 2.200 -6.140 15.599 1.00 0.00 O ATOM 142 OE2 GLU A 10 1.391 -4.255 14.808 1.00 0.00 O ATOM 0 H GLU A 10 5.083 -7.091 11.992 1.00 0.00 H new ATOM 0 HA GLU A 10 2.950 -7.870 13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.337 -5.781 11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.769 -6.038 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.193 -5.558 14.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.389 -4.209 13.295 1.00 0.00 H new ATOM 149 N GLU A 11 1.073 -8.630 12.114 1.00 0.00 N ATOM 150 CA GLU A 11 0.160 -9.449 11.309 1.00 0.00 C ATOM 151 C GLU A 11 0.092 -8.951 9.858 1.00 0.00 C ATOM 152 O GLU A 11 0.820 -8.037 9.470 1.00 0.00 O ATOM 153 CB GLU A 11 -1.242 -9.450 11.933 1.00 0.00 C ATOM 154 CG GLU A 11 -1.908 -10.819 11.951 1.00 0.00 C ATOM 155 CD GLU A 11 -2.940 -10.953 13.054 1.00 0.00 C ATOM 156 OE1 GLU A 11 -4.111 -10.589 12.818 1.00 0.00 O ATOM 157 OE2 GLU A 11 -2.578 -11.422 14.154 1.00 0.00 O ATOM 0 H GLU A 11 0.635 -8.189 12.923 1.00 0.00 H new ATOM 0 HA GLU A 11 0.548 -10.468 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.175 -9.076 12.955 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.875 -8.756 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.386 -10.999 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.146 -11.588 12.077 1.00 0.00 H new ATOM 164 N THR A 12 -0.786 -9.557 9.060 1.00 0.00 N ATOM 165 CA THR A 12 -0.934 -9.176 7.657 1.00 0.00 C ATOM 166 C THR A 12 -2.136 -8.255 7.460 1.00 0.00 C ATOM 167 O THR A 12 -3.234 -8.536 7.946 1.00 0.00 O ATOM 168 CB THR A 12 -1.087 -10.422 6.777 1.00 0.00 C ATOM 169 OG1 THR A 12 -0.280 -11.483 7.260 1.00 0.00 O ATOM 170 CG2 THR A 12 -0.713 -10.179 5.330 1.00 0.00 C ATOM 0 H THR A 12 -1.404 -10.311 9.360 1.00 0.00 H new ATOM 0 HA THR A 12 -0.034 -8.637 7.362 1.00 0.00 H new ATOM 0 HB THR A 12 -2.145 -10.682 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.602 -11.443 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.843 -11.100 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.354 -9.402 4.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.328 -9.861 5.272 1.00 0.00 H new ATOM 178 N SER A 13 -1.916 -7.153 6.742 1.00 0.00 N ATOM 179 CA SER A 13 -2.973 -6.180 6.472 1.00 0.00 C ATOM 180 C SER A 13 -2.930 -5.708 5.019 1.00 0.00 C ATOM 181 O SER A 13 -1.918 -5.866 4.331 1.00 0.00 O ATOM 182 CB SER A 13 -2.854 -4.977 7.419 1.00 0.00 C ATOM 183 OG SER A 13 -2.267 -5.346 8.657 1.00 0.00 O ATOM 0 H SER A 13 -1.012 -6.912 6.336 1.00 0.00 H new ATOM 0 HA SER A 13 -3.930 -6.673 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.253 -4.200 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.842 -4.553 7.596 1.00 0.00 H new ATOM 0 HG SER A 13 -2.204 -4.558 9.237 1.00 0.00 H new ATOM 189 N GLU A 14 -4.039 -5.123 4.559 1.00 0.00 N ATOM 190 CA GLU A 14 -4.135 -4.623 3.189 1.00 0.00 C ATOM 191 C GLU A 14 -3.792 -3.137 3.132 1.00 0.00 C ATOM 192 O GLU A 14 -4.185 -2.365 4.009 1.00 0.00 O ATOM 193 CB GLU A 14 -5.540 -4.857 2.621 1.00 0.00 C ATOM 194 CG GLU A 14 -6.081 -6.257 2.865 1.00 0.00 C ATOM 195 CD GLU A 14 -7.529 -6.403 2.439 1.00 0.00 C ATOM 196 OE1 GLU A 14 -8.423 -6.125 3.266 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.768 -6.793 1.277 1.00 0.00 O ATOM 0 H GLU A 14 -4.882 -4.985 5.117 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.417 -5.173 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.224 -4.132 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.523 -4.667 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.471 -6.978 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.991 -6.498 3.924 1.00 0.00 H new ATOM 204 N VAL A 15 -3.051 -2.745 2.096 1.00 0.00 N ATOM 205 CA VAL A 15 -2.644 -1.353 1.921 1.00 0.00 C ATOM 206 C VAL A 15 -2.896 -0.874 0.491 1.00 0.00 C ATOM 207 O VAL A 15 -2.815 -1.655 -0.457 1.00 0.00 O ATOM 208 CB VAL A 15 -1.154 -1.154 2.275 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.904 -1.498 3.736 1.00 0.00 C ATOM 210 CG2 VAL A 15 -0.262 -1.990 1.365 1.00 0.00 C ATOM 0 H VAL A 15 -2.720 -3.374 1.364 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.251 -0.758 2.604 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.904 -0.105 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.151 -1.352 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.509 -0.850 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.175 -2.538 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.782 -1.832 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.511 -3.045 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.418 -1.692 0.328 1.00 0.00 H new ATOM 220 N ALA A 16 -3.200 0.415 0.342 1.00 0.00 N ATOM 221 CA ALA A 16 -3.467 0.993 -0.973 1.00 0.00 C ATOM 222 C ALA A 16 -2.171 1.395 -1.673 1.00 0.00 C ATOM 223 O ALA A 16 -1.334 2.093 -1.100 1.00 0.00 O ATOM 224 CB ALA A 16 -4.401 2.188 -0.847 1.00 0.00 C ATOM 0 H ALA A 16 -3.267 1.077 1.115 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.954 0.233 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.590 2.608 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.343 1.868 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.939 2.945 -0.214 1.00 0.00 H new ATOM 230 N VAL A 17 -2.019 0.945 -2.917 1.00 0.00 N ATOM 231 CA VAL A 17 -0.824 1.246 -3.711 1.00 0.00 C ATOM 232 C VAL A 17 -1.160 2.071 -4.952 1.00 0.00 C ATOM 233 O VAL A 17 -2.254 1.961 -5.503 1.00 0.00 O ATOM 234 CB VAL A 17 -0.094 -0.036 -4.158 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.683 -0.639 -2.997 1.00 0.00 C ATOM 236 CG2 VAL A 17 -1.073 -1.048 -4.739 1.00 0.00 C ATOM 0 H VAL A 17 -2.709 0.369 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.170 1.824 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 17 0.614 0.232 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.192 -1.543 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.419 0.081 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.005 -0.887 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.532 -1.943 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.813 -1.313 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.576 -0.613 -5.603 1.00 0.00 H new ATOM 246 N ASP A 18 -0.197 2.886 -5.388 1.00 0.00 N ATOM 247 CA ASP A 18 -0.368 3.734 -6.574 1.00 0.00 C ATOM 248 C ASP A 18 -0.385 2.915 -7.869 1.00 0.00 C ATOM 249 O ASP A 18 -0.879 3.389 -8.895 1.00 0.00 O ATOM 250 CB ASP A 18 0.742 4.789 -6.646 1.00 0.00 C ATOM 251 CG ASP A 18 2.134 4.195 -6.502 1.00 0.00 C ATOM 252 OD1 ASP A 18 2.577 3.485 -7.429 1.00 0.00 O ATOM 253 OD2 ASP A 18 2.777 4.438 -5.461 1.00 0.00 O ATOM 0 H ASP A 18 0.713 2.978 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.335 4.228 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.674 5.316 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.585 5.528 -5.861 1.00 0.00 H new ATOM 258 N ASP A 19 0.161 1.696 -7.821 1.00 0.00 N ATOM 259 CA ASP A 19 0.212 0.820 -8.996 1.00 0.00 C ATOM 260 C ASP A 19 -1.169 0.670 -9.627 1.00 0.00 C ATOM 261 O ASP A 19 -1.309 0.693 -10.851 1.00 0.00 O ATOM 262 CB ASP A 19 0.748 -0.561 -8.603 1.00 0.00 C ATOM 263 CG ASP A 19 1.644 -1.162 -9.668 1.00 0.00 C ATOM 264 OD1 ASP A 19 1.111 -1.659 -10.682 1.00 0.00 O ATOM 265 OD2 ASP A 19 2.878 -1.141 -9.487 1.00 0.00 O ATOM 0 H ASP A 19 0.574 1.293 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 19 0.881 1.276 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.304 -0.479 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.090 -1.233 -8.417 1.00 0.00 H new ATOM 270 N ASP A 20 -2.187 0.527 -8.778 1.00 0.00 N ATOM 271 CA ASP A 20 -3.564 0.380 -9.237 1.00 0.00 C ATOM 272 C ASP A 20 -3.965 1.534 -10.158 1.00 0.00 C ATOM 273 O ASP A 20 -4.568 1.316 -11.212 1.00 0.00 O ATOM 274 CB ASP A 20 -4.512 0.310 -8.032 1.00 0.00 C ATOM 275 CG ASP A 20 -5.808 -0.422 -8.333 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.466 -0.082 -9.337 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.170 -1.327 -7.554 1.00 0.00 O ATOM 0 H ASP A 20 -2.080 0.510 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.637 -0.546 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.004 -0.188 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.743 1.322 -7.700 1.00 0.00 H new ATOM 282 N GLY A 21 -3.629 2.758 -9.751 1.00 0.00 N ATOM 283 CA GLY A 21 -3.962 3.932 -10.544 1.00 0.00 C ATOM 284 C GLY A 21 -5.391 4.415 -10.322 1.00 0.00 C ATOM 285 O GLY A 21 -5.983 5.033 -11.209 1.00 0.00 O ATOM 0 H GLY A 21 -3.131 2.958 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.270 4.738 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.822 3.702 -11.600 1.00 0.00 H new ATOM 289 N THR A 22 -5.948 4.129 -9.141 1.00 0.00 N ATOM 290 CA THR A 22 -7.318 4.533 -8.813 1.00 0.00 C ATOM 291 C THR A 22 -7.344 5.865 -8.061 1.00 0.00 C ATOM 292 O THR A 22 -6.302 6.380 -7.648 1.00 0.00 O ATOM 293 CB THR A 22 -8.021 3.446 -7.980 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.090 2.684 -7.223 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.832 2.484 -8.824 1.00 0.00 C ATOM 0 H THR A 22 -5.471 3.620 -8.397 1.00 0.00 H new ATOM 0 HA THR A 22 -7.854 4.662 -9.753 1.00 0.00 H new ATOM 0 HB THR A 22 -8.695 3.990 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.192 2.895 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.303 1.742 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.601 3.035 -9.365 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.176 1.982 -9.536 1.00 0.00 H new ATOM 303 N TYR A 23 -8.549 6.419 -7.888 1.00 0.00 N ATOM 304 CA TYR A 23 -8.724 7.694 -7.184 1.00 0.00 C ATOM 305 C TYR A 23 -8.174 7.615 -5.758 1.00 0.00 C ATOM 306 O TYR A 23 -7.582 8.574 -5.263 1.00 0.00 O ATOM 307 CB TYR A 23 -10.205 8.090 -7.149 1.00 0.00 C ATOM 308 CG TYR A 23 -10.506 9.386 -7.870 1.00 0.00 C ATOM 309 CD1 TYR A 23 -10.683 9.412 -9.247 1.00 0.00 C ATOM 310 CD2 TYR A 23 -10.617 10.582 -7.172 1.00 0.00 C ATOM 311 CE1 TYR A 23 -10.961 10.592 -9.909 1.00 0.00 C ATOM 312 CE2 TYR A 23 -10.898 11.766 -7.826 1.00 0.00 C ATOM 313 CZ TYR A 23 -11.068 11.765 -9.194 1.00 0.00 C ATOM 314 OH TYR A 23 -11.349 12.944 -9.851 1.00 0.00 O ATOM 0 H TYR A 23 -9.418 6.004 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.165 8.455 -7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.796 7.291 -7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.523 8.180 -6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.602 8.494 -9.810 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.481 10.586 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.094 10.595 -10.981 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.984 12.687 -7.269 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.392 13.678 -9.203 1.00 0.00 H new ATOM 324 N ALA A 24 -8.365 6.462 -5.114 1.00 0.00 N ATOM 325 CA ALA A 24 -7.876 6.246 -3.751 1.00 0.00 C ATOM 326 C ALA A 24 -6.368 6.480 -3.665 1.00 0.00 C ATOM 327 O ALA A 24 -5.865 6.977 -2.657 1.00 0.00 O ATOM 328 CB ALA A 24 -8.215 4.838 -3.281 1.00 0.00 C ATOM 0 H ALA A 24 -8.855 5.663 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.371 6.965 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.844 4.694 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.296 4.700 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.747 4.110 -3.945 1.00 0.00 H new ATOM 334 N ASP A 25 -5.654 6.119 -4.729 1.00 0.00 N ATOM 335 CA ASP A 25 -4.203 6.292 -4.780 1.00 0.00 C ATOM 336 C ASP A 25 -3.834 7.773 -4.838 1.00 0.00 C ATOM 337 O ASP A 25 -2.909 8.216 -4.157 1.00 0.00 O ATOM 338 CB ASP A 25 -3.608 5.553 -5.984 1.00 0.00 C ATOM 339 CG ASP A 25 -4.074 4.106 -6.089 1.00 0.00 C ATOM 340 OD1 ASP A 25 -4.548 3.547 -5.075 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.960 3.532 -7.188 1.00 0.00 O ATOM 0 H ASP A 25 -6.057 5.704 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.784 5.865 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.879 6.083 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.520 5.574 -5.914 1.00 0.00 H new ATOM 346 N LEU A 26 -4.571 8.536 -5.651 1.00 0.00 N ATOM 347 CA LEU A 26 -4.327 9.971 -5.787 1.00 0.00 C ATOM 348 C LEU A 26 -4.534 10.681 -4.448 1.00 0.00 C ATOM 349 O LEU A 26 -3.735 11.533 -4.058 1.00 0.00 O ATOM 350 CB LEU A 26 -5.250 10.577 -6.849 1.00 0.00 C ATOM 351 CG LEU A 26 -4.864 11.985 -7.316 1.00 0.00 C ATOM 352 CD1 LEU A 26 -4.029 11.920 -8.587 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.106 12.838 -7.533 1.00 0.00 C ATOM 0 H LEU A 26 -5.339 8.183 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.293 10.110 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.266 9.915 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.265 10.608 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.262 12.450 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.766 12.930 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.119 11.351 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.603 11.433 -9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.810 13.834 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.737 12.376 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.661 12.917 -6.598 1.00 0.00 H new ATOM 365 N VAL A 27 -5.608 10.313 -3.745 1.00 0.00 N ATOM 366 CA VAL A 27 -5.916 10.905 -2.446 1.00 0.00 C ATOM 367 C VAL A 27 -4.925 10.439 -1.374 1.00 0.00 C ATOM 368 O VAL A 27 -4.496 11.231 -0.534 1.00 0.00 O ATOM 369 CB VAL A 27 -7.366 10.584 -2.005 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.536 9.106 -1.678 1.00 0.00 C ATOM 371 CG2 VAL A 27 -7.774 11.451 -0.821 1.00 0.00 C ATOM 0 H VAL A 27 -6.277 9.608 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.824 11.985 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.025 10.814 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.565 8.917 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.304 8.509 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.861 8.833 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.796 11.209 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.102 11.263 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.717 12.502 -1.103 1.00 0.00 H new ATOM 381 N ARG A 28 -4.555 9.156 -1.418 1.00 0.00 N ATOM 382 CA ARG A 28 -3.603 8.592 -0.456 1.00 0.00 C ATOM 383 C ARG A 28 -2.210 9.195 -0.646 1.00 0.00 C ATOM 384 O ARG A 28 -1.483 9.407 0.324 1.00 0.00 O ATOM 385 CB ARG A 28 -3.532 7.069 -0.590 1.00 0.00 C ATOM 386 CG ARG A 28 -3.231 6.355 0.720 1.00 0.00 C ATOM 387 CD ARG A 28 -2.318 5.153 0.510 1.00 0.00 C ATOM 388 NE ARG A 28 -2.510 4.130 1.541 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.583 3.233 1.894 1.00 0.00 C ATOM 390 NH1 ARG A 28 -0.401 3.203 1.284 1.00 0.00 N ATOM 391 NH2 ARG A 28 -1.845 2.355 2.859 1.00 0.00 N ATOM 0 H ARG A 28 -4.899 8.489 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.958 8.841 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.480 6.703 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.763 6.812 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.762 7.052 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.164 6.028 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.510 4.719 -0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.279 5.482 0.515 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.410 4.100 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.195 3.868 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.299 2.515 1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.751 2.367 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.140 1.670 3.130 1.00 0.00 H new ATOM 405 N ALA A 29 -1.848 9.464 -1.906 1.00 0.00 N ATOM 406 CA ALA A 29 -0.542 10.042 -2.239 1.00 0.00 C ATOM 407 C ALA A 29 -0.279 11.342 -1.469 1.00 0.00 C ATOM 408 O ALA A 29 0.874 11.714 -1.248 1.00 0.00 O ATOM 409 CB ALA A 29 -0.441 10.294 -3.737 1.00 0.00 C ATOM 0 H ALA A 29 -2.445 9.289 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 29 0.219 9.320 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.534 10.723 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.560 9.352 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.225 10.987 -4.043 1.00 0.00 H new ATOM 415 N VAL A 30 -1.353 12.024 -1.059 1.00 0.00 N ATOM 416 CA VAL A 30 -1.231 13.275 -0.309 1.00 0.00 C ATOM 417 C VAL A 30 -1.166 13.017 1.205 1.00 0.00 C ATOM 418 O VAL A 30 -1.487 13.895 2.007 1.00 0.00 O ATOM 419 CB VAL A 30 -2.409 14.228 -0.620 1.00 0.00 C ATOM 420 CG1 VAL A 30 -2.126 15.628 -0.092 1.00 0.00 C ATOM 421 CG2 VAL A 30 -2.690 14.263 -2.117 1.00 0.00 C ATOM 0 H VAL A 30 -2.314 11.730 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.300 13.746 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.297 13.848 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.968 16.281 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.983 15.588 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.224 16.019 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.522 14.939 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.804 14.614 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.946 13.261 -2.463 1.00 0.00 H new ATOM 431 N ASP A 31 -0.748 11.804 1.592 1.00 0.00 N ATOM 432 CA ASP A 31 -0.640 11.428 3.001 1.00 0.00 C ATOM 433 C ASP A 31 -2.005 11.457 3.691 1.00 0.00 C ATOM 434 O ASP A 31 -2.157 12.023 4.776 1.00 0.00 O ATOM 435 CB ASP A 31 0.349 12.344 3.733 1.00 0.00 C ATOM 436 CG ASP A 31 1.173 11.597 4.768 1.00 0.00 C ATOM 437 OD1 ASP A 31 0.577 10.889 5.608 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.415 11.720 4.737 1.00 0.00 O ATOM 0 H ASP A 31 -0.479 11.066 0.942 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.264 10.406 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.017 12.808 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.199 13.150 4.221 1.00 0.00 H new ATOM 443 N LEU A 32 -2.999 10.838 3.055 1.00 0.00 N ATOM 444 CA LEU A 32 -4.347 10.788 3.612 1.00 0.00 C ATOM 445 C LEU A 32 -4.730 9.355 4.000 1.00 0.00 C ATOM 446 O LEU A 32 -5.899 8.970 3.918 1.00 0.00 O ATOM 447 CB LEU A 32 -5.355 11.355 2.607 1.00 0.00 C ATOM 448 CG LEU A 32 -5.685 12.839 2.784 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.826 13.693 1.864 1.00 0.00 C ATOM 450 CD2 LEU A 32 -7.162 13.088 2.521 1.00 0.00 C ATOM 0 H LEU A 32 -2.895 10.366 2.157 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.365 11.398 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.965 11.203 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.279 10.782 2.681 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.465 13.121 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.076 14.745 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.773 13.536 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.012 13.412 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.381 14.148 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.405 12.789 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.760 12.505 3.222 1.00 0.00 H new ATOM 462 N SER A 33 -3.739 8.569 4.426 1.00 0.00 N ATOM 463 CA SER A 33 -3.974 7.183 4.828 1.00 0.00 C ATOM 464 C SER A 33 -3.715 6.993 6.322 1.00 0.00 C ATOM 465 O SER A 33 -2.768 7.557 6.871 1.00 0.00 O ATOM 466 CB SER A 33 -3.088 6.229 4.019 1.00 0.00 C ATOM 467 OG SER A 33 -1.886 6.859 3.605 1.00 0.00 O ATOM 0 H SER A 33 -2.767 8.870 4.501 1.00 0.00 H new ATOM 0 HA SER A 33 -5.020 6.951 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.851 5.352 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.635 5.877 3.144 1.00 0.00 H new ATOM 0 HG SER A 33 -1.343 6.224 3.093 1.00 0.00 H new ATOM 473 N PRO A 34 -4.557 6.185 7.002 1.00 0.00 N ATOM 474 CA PRO A 34 -4.411 5.918 8.439 1.00 0.00 C ATOM 475 C PRO A 34 -3.237 4.985 8.744 1.00 0.00 C ATOM 476 O PRO A 34 -2.595 5.109 9.788 1.00 0.00 O ATOM 477 CB PRO A 34 -5.739 5.253 8.808 1.00 0.00 C ATOM 478 CG PRO A 34 -6.195 4.595 7.551 1.00 0.00 C ATOM 479 CD PRO A 34 -5.711 5.465 6.421 1.00 0.00 C ATOM 0 HA PRO A 34 -4.201 6.825 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.609 4.527 9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.466 5.987 9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.787 3.588 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.281 4.501 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.418 4.871 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.486 6.155 6.086 1.00 0.00 H new ATOM 487 N HIS A 35 -2.961 4.053 7.829 1.00 0.00 N ATOM 488 CA HIS A 35 -1.864 3.104 8.005 1.00 0.00 C ATOM 489 C HIS A 35 -0.517 3.751 7.677 1.00 0.00 C ATOM 490 O HIS A 35 0.462 3.554 8.400 1.00 0.00 O ATOM 491 CB HIS A 35 -2.073 1.870 7.122 1.00 0.00 C ATOM 492 CG HIS A 35 -2.827 0.769 7.799 1.00 0.00 C ATOM 493 ND1 HIS A 35 -2.215 -0.206 8.560 1.00 0.00 N ATOM 494 CD2 HIS A 35 -4.153 0.489 7.829 1.00 0.00 C ATOM 495 CE1 HIS A 35 -3.131 -1.037 9.026 1.00 0.00 C ATOM 496 NE2 HIS A 35 -4.314 -0.638 8.597 1.00 0.00 N ATOM 0 H HIS A 35 -3.483 3.937 6.960 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.856 2.798 9.051 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.610 2.166 6.220 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.101 1.492 6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.937 1.048 7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.943 -1.897 9.652 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.203 -1.093 8.803 1.00 0.00 H new ATOM 505 N GLU A 36 -0.479 4.528 6.585 1.00 0.00 N ATOM 506 CA GLU A 36 0.742 5.212 6.154 1.00 0.00 C ATOM 507 C GLU A 36 1.924 4.244 6.103 1.00 0.00 C ATOM 508 O GLU A 36 2.823 4.290 6.948 1.00 0.00 O ATOM 509 CB GLU A 36 1.047 6.390 7.086 1.00 0.00 C ATOM 510 CG GLU A 36 1.419 7.668 6.350 1.00 0.00 C ATOM 511 CD GLU A 36 2.909 7.942 6.378 1.00 0.00 C ATOM 512 OE1 GLU A 36 3.409 8.402 7.427 1.00 0.00 O ATOM 513 OE2 GLU A 36 3.577 7.696 5.351 1.00 0.00 O ATOM 0 H GLU A 36 -1.285 4.697 5.984 1.00 0.00 H new ATOM 0 HA GLU A 36 0.582 5.597 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.176 6.582 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.864 6.113 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.085 7.597 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.890 8.509 6.799 1.00 0.00 H new ATOM 520 N VAL A 37 1.910 3.359 5.109 1.00 0.00 N ATOM 521 CA VAL A 37 2.971 2.367 4.944 1.00 0.00 C ATOM 522 C VAL A 37 3.609 2.461 3.561 1.00 0.00 C ATOM 523 O VAL A 37 2.941 2.786 2.577 1.00 0.00 O ATOM 524 CB VAL A 37 2.441 0.933 5.156 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.057 0.711 6.613 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.259 0.653 4.238 1.00 0.00 C ATOM 0 H VAL A 37 1.174 3.308 4.404 1.00 0.00 H new ATOM 0 HA VAL A 37 3.723 2.585 5.702 1.00 0.00 H new ATOM 0 HB VAL A 37 3.239 0.235 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.686 -0.306 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.931 0.860 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.278 1.419 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.902 -0.363 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.457 1.359 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.571 0.762 3.199 1.00 0.00 H new ATOM 536 N THR A 38 4.909 2.171 3.499 1.00 0.00 N ATOM 537 CA THR A 38 5.652 2.216 2.242 1.00 0.00 C ATOM 538 C THR A 38 5.765 0.821 1.630 1.00 0.00 C ATOM 539 O THR A 38 6.008 -0.160 2.339 1.00 0.00 O ATOM 540 CB THR A 38 7.053 2.806 2.464 1.00 0.00 C ATOM 541 OG1 THR A 38 7.076 3.645 3.608 1.00 0.00 O ATOM 542 CG2 THR A 38 7.552 3.624 1.291 1.00 0.00 C ATOM 0 H THR A 38 5.469 1.902 4.308 1.00 0.00 H new ATOM 0 HA THR A 38 5.106 2.857 1.550 1.00 0.00 H new ATOM 0 HB THR A 38 7.707 1.943 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.978 4.007 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.546 4.011 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.598 2.995 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.871 4.456 1.111 1.00 0.00 H new ATOM 550 N VAL A 39 5.581 0.741 0.314 1.00 0.00 N ATOM 551 CA VAL A 39 5.654 -0.532 -0.401 1.00 0.00 C ATOM 552 C VAL A 39 7.089 -0.859 -0.813 1.00 0.00 C ATOM 553 O VAL A 39 7.793 -0.015 -1.372 1.00 0.00 O ATOM 554 CB VAL A 39 4.747 -0.532 -1.655 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.298 -0.272 -1.267 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.226 0.492 -2.680 1.00 0.00 C ATOM 0 H VAL A 39 5.380 1.545 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 39 5.300 -1.299 0.288 1.00 0.00 H new ATOM 0 HB VAL A 39 4.808 -1.518 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.675 -0.276 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.958 -1.052 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.221 0.698 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.570 0.470 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.207 1.487 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.244 0.251 -2.987 1.00 0.00 H new ATOM 566 N LEU A 40 7.520 -2.090 -0.533 1.00 0.00 N ATOM 567 CA LEU A 40 8.869 -2.528 -0.874 1.00 0.00 C ATOM 568 C LEU A 40 8.843 -3.612 -1.949 1.00 0.00 C ATOM 569 O LEU A 40 7.922 -4.431 -2.000 1.00 0.00 O ATOM 570 CB LEU A 40 9.590 -3.056 0.369 1.00 0.00 C ATOM 571 CG LEU A 40 10.403 -2.011 1.138 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.249 -2.211 2.638 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.870 -2.072 0.734 1.00 0.00 C ATOM 0 H LEU A 40 6.952 -2.800 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 40 9.408 -1.665 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.851 -3.488 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.257 -3.864 0.068 1.00 0.00 H new ATOM 0 HG LEU A 40 10.020 -1.022 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.834 -1.459 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.199 -2.113 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.604 -3.205 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.432 -1.322 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.268 -3.062 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.962 -1.875 -0.334 1.00 0.00 H new ATOM 585 N VAL A 41 9.873 -3.618 -2.792 1.00 0.00 N ATOM 586 CA VAL A 41 9.999 -4.601 -3.856 1.00 0.00 C ATOM 587 C VAL A 41 11.195 -5.500 -3.575 1.00 0.00 C ATOM 588 O VAL A 41 12.331 -5.027 -3.504 1.00 0.00 O ATOM 589 CB VAL A 41 10.169 -3.932 -5.240 1.00 0.00 C ATOM 590 CG1 VAL A 41 9.699 -4.864 -6.347 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.419 -2.606 -5.299 1.00 0.00 C ATOM 0 H VAL A 41 10.638 -2.944 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 41 9.081 -5.189 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 41 11.229 -3.728 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.827 -4.375 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.287 -5.782 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.646 -5.104 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.554 -2.155 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.358 -2.780 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.808 -1.933 -4.535 1.00 0.00 H new ATOM 601 N ASP A 42 10.935 -6.794 -3.397 1.00 0.00 N ATOM 602 CA ASP A 42 11.993 -7.747 -3.102 1.00 0.00 C ATOM 603 C ASP A 42 13.068 -7.695 -4.180 1.00 0.00 C ATOM 604 O ASP A 42 12.792 -7.942 -5.356 1.00 0.00 O ATOM 605 CB ASP A 42 11.408 -9.159 -3.009 1.00 0.00 C ATOM 606 CG ASP A 42 12.469 -10.221 -2.795 1.00 0.00 C ATOM 607 OD1 ASP A 42 13.027 -10.714 -3.800 1.00 0.00 O ATOM 608 OD2 ASP A 42 12.742 -10.560 -1.625 1.00 0.00 O ATOM 0 H ASP A 42 10.002 -7.202 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 42 12.447 -7.485 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.691 -9.197 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.858 -9.380 -3.923 1.00 0.00 H new ATOM 613 N GLY A 43 14.285 -7.373 -3.743 1.00 0.00 N ATOM 614 CA GLY A 43 15.444 -7.269 -4.623 1.00 0.00 C ATOM 615 C GLY A 43 15.121 -6.974 -6.084 1.00 0.00 C ATOM 616 O GLY A 43 15.701 -7.584 -6.984 1.00 0.00 O ATOM 0 H GLY A 43 14.494 -7.176 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.098 -6.483 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.005 -8.202 -4.572 1.00 0.00 H new ATOM 759 N GLU A 53 -2.192 -4.351 -13.099 1.00 0.00 N ATOM 760 CA GLU A 53 -2.641 -3.125 -12.439 1.00 0.00 C ATOM 761 C GLU A 53 -2.215 -3.095 -10.970 1.00 0.00 C ATOM 762 O GLU A 53 -1.762 -2.065 -10.472 1.00 0.00 O ATOM 763 CB GLU A 53 -4.165 -2.970 -12.558 1.00 0.00 C ATOM 764 CG GLU A 53 -4.965 -4.123 -11.964 1.00 0.00 C ATOM 765 CD GLU A 53 -6.396 -4.174 -12.472 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.077 -3.126 -12.449 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.839 -5.265 -12.891 1.00 0.00 O ATOM 0 HA GLU A 53 -2.165 -2.285 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.463 -2.045 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.426 -2.868 -13.611 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.467 -5.063 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.974 -4.031 -10.878 1.00 0.00 H new ATOM 774 N VAL A 54 -2.354 -4.229 -10.286 1.00 0.00 N ATOM 775 CA VAL A 54 -1.970 -4.329 -8.880 1.00 0.00 C ATOM 776 C VAL A 54 -0.748 -5.234 -8.707 1.00 0.00 C ATOM 777 O VAL A 54 -0.413 -6.015 -9.599 1.00 0.00 O ATOM 778 CB VAL A 54 -3.126 -4.862 -8.006 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.322 -3.919 -8.066 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.517 -6.272 -8.433 1.00 0.00 C ATOM 0 H VAL A 54 -2.729 -5.091 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.722 -3.320 -8.551 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.784 -4.907 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.126 -4.312 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.028 -2.935 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.668 -3.835 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.333 -6.629 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.839 -6.261 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.659 -6.936 -8.326 1.00 0.00 H new ATOM 790 N ASP A 55 -0.086 -5.123 -7.558 1.00 0.00 N ATOM 791 CA ASP A 55 1.100 -5.930 -7.271 1.00 0.00 C ATOM 792 C ASP A 55 1.220 -6.213 -5.774 1.00 0.00 C ATOM 793 O ASP A 55 0.722 -5.446 -4.949 1.00 0.00 O ATOM 794 CB ASP A 55 2.357 -5.211 -7.771 1.00 0.00 C ATOM 795 CG ASP A 55 3.593 -6.089 -7.728 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.719 -6.980 -8.594 1.00 0.00 O ATOM 797 OD2 ASP A 55 4.431 -5.889 -6.823 1.00 0.00 O ATOM 0 H ASP A 55 -0.350 -4.482 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 55 0.999 -6.882 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.193 -4.872 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.527 -4.322 -7.164 1.00 0.00 H new ATOM 802 N ARG A 56 1.892 -7.313 -5.431 1.00 0.00 N ATOM 803 CA ARG A 56 2.085 -7.690 -4.033 1.00 0.00 C ATOM 804 C ARG A 56 3.430 -7.173 -3.533 1.00 0.00 C ATOM 805 O ARG A 56 4.474 -7.446 -4.128 1.00 0.00 O ATOM 806 CB ARG A 56 2.014 -9.212 -3.868 1.00 0.00 C ATOM 807 CG ARG A 56 2.237 -9.684 -2.438 1.00 0.00 C ATOM 808 CD ARG A 56 2.064 -11.189 -2.311 1.00 0.00 C ATOM 809 NE ARG A 56 1.553 -11.576 -0.994 1.00 0.00 N ATOM 810 CZ ARG A 56 2.299 -11.633 0.115 1.00 0.00 C ATOM 811 NH1 ARG A 56 3.591 -11.310 0.080 1.00 0.00 N ATOM 812 NH2 ARG A 56 1.747 -12.009 1.266 1.00 0.00 N ATOM 0 H ARG A 56 2.311 -7.957 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 56 1.287 -7.241 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.039 -9.560 -4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.761 -9.674 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.239 -9.404 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.535 -9.179 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.379 -11.541 -3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.021 -11.680 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 56 0.565 -11.818 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.020 -11.016 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.152 -11.357 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.757 -12.253 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.314 -12.053 2.113 1.00 0.00 H new ATOM 826 N VAL A 57 3.395 -6.418 -2.440 1.00 0.00 N ATOM 827 CA VAL A 57 4.603 -5.843 -1.854 1.00 0.00 C ATOM 828 C VAL A 57 4.611 -6.001 -0.334 1.00 0.00 C ATOM 829 O VAL A 57 3.594 -6.342 0.267 1.00 0.00 O ATOM 830 CB VAL A 57 4.739 -4.344 -2.208 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.072 -4.169 -3.682 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.465 -3.589 -1.850 1.00 0.00 C ATOM 0 H VAL A 57 2.537 -6.188 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 57 5.449 -6.387 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 57 5.558 -3.927 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.163 -3.107 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.014 -4.671 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.278 -4.604 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.582 -2.536 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.626 -4.007 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.275 -3.683 -0.781 1.00 0.00 H new ATOM 842 N LYS A 58 5.764 -5.749 0.280 1.00 0.00 N ATOM 843 CA LYS A 58 5.900 -5.855 1.733 1.00 0.00 C ATOM 844 C LYS A 58 6.023 -4.470 2.361 1.00 0.00 C ATOM 845 O LYS A 58 6.679 -3.586 1.807 1.00 0.00 O ATOM 846 CB LYS A 58 7.113 -6.714 2.106 1.00 0.00 C ATOM 847 CG LYS A 58 8.331 -6.474 1.225 1.00 0.00 C ATOM 848 CD LYS A 58 9.510 -7.338 1.646 1.00 0.00 C ATOM 849 CE LYS A 58 9.279 -8.804 1.305 1.00 0.00 C ATOM 850 NZ LYS A 58 8.855 -9.598 2.494 1.00 0.00 N ATOM 0 H LYS A 58 6.618 -5.470 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 58 5.003 -6.338 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.382 -6.515 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.834 -7.766 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.077 -6.687 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.614 -5.423 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.415 -6.987 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.673 -7.234 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.517 -8.879 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.195 -9.229 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.302 -10.422 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.696 -9.921 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.270 -9.005 3.117 1.00 0.00 H new ATOM 864 N VAL A 59 5.386 -4.288 3.516 1.00 0.00 N ATOM 865 CA VAL A 59 5.420 -3.008 4.219 1.00 0.00 C ATOM 866 C VAL A 59 6.412 -3.041 5.379 1.00 0.00 C ATOM 867 O VAL A 59 6.524 -4.045 6.088 1.00 0.00 O ATOM 868 CB VAL A 59 4.028 -2.602 4.752 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.137 -2.132 3.612 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.374 -3.746 5.514 1.00 0.00 C ATOM 0 H VAL A 59 4.840 -5.011 3.985 1.00 0.00 H new ATOM 0 HA VAL A 59 5.741 -2.265 3.489 1.00 0.00 H new ATOM 0 HB VAL A 59 4.162 -1.774 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.161 -1.850 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.594 -1.271 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.017 -2.938 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.396 -3.430 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.255 -4.604 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.002 -4.025 6.360 1.00 0.00 H new ATOM 880 N LEU A 60 7.125 -1.934 5.563 1.00 0.00 N ATOM 881 CA LEU A 60 8.110 -1.825 6.635 1.00 0.00 C ATOM 882 C LEU A 60 7.679 -0.785 7.666 1.00 0.00 C ATOM 883 O LEU A 60 7.400 0.366 7.324 1.00 0.00 O ATOM 884 CB LEU A 60 9.483 -1.458 6.059 1.00 0.00 C ATOM 885 CG LEU A 60 10.623 -2.414 6.425 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.817 -2.462 7.933 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.356 -3.808 5.875 1.00 0.00 C ATOM 0 H LEU A 60 7.039 -1.099 4.983 1.00 0.00 H new ATOM 0 HA LEU A 60 8.181 -2.793 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.403 -1.413 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.746 -0.457 6.401 1.00 0.00 H new ATOM 0 HG LEU A 60 11.541 -2.039 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.631 -3.146 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.060 -1.465 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.899 -2.809 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.178 -4.470 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.426 -4.193 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.272 -3.761 4.789 1.00 0.00 H new ATOM 899 N ARG A 61 7.627 -1.200 8.932 1.00 0.00 N ATOM 900 CA ARG A 61 7.231 -0.307 10.017 1.00 0.00 C ATOM 901 C ARG A 61 8.104 -0.535 11.255 1.00 0.00 C ATOM 902 O ARG A 61 7.599 -0.677 12.372 1.00 0.00 O ATOM 903 CB ARG A 61 5.750 -0.514 10.356 1.00 0.00 C ATOM 904 CG ARG A 61 4.971 0.783 10.495 1.00 0.00 C ATOM 905 CD ARG A 61 4.222 0.842 11.815 1.00 0.00 C ATOM 906 NE ARG A 61 3.663 2.168 12.080 1.00 0.00 N ATOM 907 CZ ARG A 61 2.959 2.478 13.174 1.00 0.00 C ATOM 908 NH1 ARG A 61 2.721 1.558 14.107 1.00 0.00 N ATOM 909 NH2 ARG A 61 2.492 3.711 13.335 1.00 0.00 N ATOM 0 H ARG A 61 7.854 -2.149 9.230 1.00 0.00 H new ATOM 0 HA ARG A 61 7.374 0.722 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.290 -1.123 9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.674 -1.075 11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.655 1.629 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.265 0.875 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.418 0.107 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.897 0.567 12.625 1.00 0.00 H new ATOM 0 HE ARG A 61 3.820 2.901 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.077 0.609 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.183 1.802 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.670 4.421 12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.955 3.948 14.169 1.00 0.00 H new