USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 378 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 35 ASN :FLIP amide:sc= -3.02! C(o=-10!,f=-7!) USER MOD Set 1.2: A 38 SER OG : rot 21:sc= -4! USER MOD Single : A 5 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.2!) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.738 USER MOD Single : A 9 MET CE :methyl 147:sc= -0.0598 (180deg=-0.67) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.256 USER MOD Single : A 24 MET CE :methyl 178:sc= -1.38! (180deg=-1.39!) USER MOD Single : A 25 ASN : amide:sc= -4.91! C(o=-4.9!,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 102:sc= 0.604 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.61! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -4.713 5.111 4.547 1.00 0.00 N ATOM 16 CA ILE A 2 -4.759 3.849 3.827 1.00 0.00 C ATOM 17 C ILE A 2 -4.056 2.770 4.652 1.00 0.00 C ATOM 18 O ILE A 2 -2.920 2.957 5.087 1.00 0.00 O ATOM 19 CB ILE A 2 -4.187 4.016 2.417 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.681 4.279 2.464 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.936 5.105 1.647 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.388 5.703 2.943 1.00 0.00 C ATOM 0 HA ILE A 2 -5.791 3.525 3.691 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.333 3.081 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.203 3.561 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.251 4.129 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.510 5.203 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.989 4.835 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.844 6.054 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.310 5.864 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.846 6.418 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.798 5.842 3.943 1.00 0.00 H new ATOM 34 N GLU A 3 -4.759 1.664 4.844 1.00 0.00 N ATOM 35 CA GLU A 3 -4.216 0.555 5.610 1.00 0.00 C ATOM 36 C GLU A 3 -3.630 -0.502 4.671 1.00 0.00 C ATOM 37 O GLU A 3 -4.067 -0.634 3.530 1.00 0.00 O ATOM 38 CB GLU A 3 -5.282 -0.054 6.524 1.00 0.00 C ATOM 39 CG GLU A 3 -4.640 -0.849 7.661 1.00 0.00 C ATOM 40 CD GLU A 3 -5.267 -0.486 9.008 1.00 0.00 C ATOM 41 OE1 GLU A 3 -6.414 -0.928 9.237 1.00 0.00 O ATOM 42 OE2 GLU A 3 -4.587 0.226 9.778 1.00 0.00 O ATOM 0 H GLU A 3 -5.700 1.512 4.482 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.415 0.934 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.907 0.738 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.935 -0.706 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.760 -1.916 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.569 -0.649 7.689 1.00 0.00 H new ATOM 49 N VAL A 4 -2.648 -1.227 5.188 1.00 0.00 N ATOM 50 CA VAL A 4 -1.997 -2.266 4.409 1.00 0.00 C ATOM 51 C VAL A 4 -2.057 -3.586 5.181 1.00 0.00 C ATOM 52 O VAL A 4 -1.519 -4.597 4.731 1.00 0.00 O ATOM 53 CB VAL A 4 -0.569 -1.843 4.060 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.164 -1.315 5.296 1.00 0.00 C ATOM 55 CG2 VAL A 4 0.203 -2.995 3.415 1.00 0.00 C ATOM 0 H VAL A 4 -2.288 -1.115 6.136 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.517 -2.417 3.463 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.628 -1.032 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.177 -1.021 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.369 -0.451 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.207 -2.096 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.215 -2.667 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.248 -3.836 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.302 -3.305 2.500 1.00 0.00 H new ATOM 65 N ASN A 5 -2.716 -3.535 6.329 1.00 0.00 N ATOM 66 CA ASN A 5 -2.852 -4.714 7.168 1.00 0.00 C ATOM 67 C ASN A 5 -1.463 -5.263 7.499 1.00 0.00 C ATOM 68 O ASN A 5 -0.453 -4.639 7.178 1.00 0.00 O ATOM 69 CB ASN A 5 -3.635 -5.814 6.447 1.00 0.00 C ATOM 70 CG ASN A 5 -5.099 -5.409 6.255 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.414 -4.310 5.829 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.970 -6.355 6.593 1.00 0.00 N ATOM 0 H ASN A 5 -3.162 -2.695 6.698 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.385 -4.424 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.179 -6.014 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.582 -6.739 7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.971 -6.182 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.637 -7.253 6.943 1.00 0.00 H new ATOM 79 N ASP A 6 -1.458 -6.424 8.137 1.00 0.00 N ATOM 80 CA ASP A 6 -0.208 -7.063 8.516 1.00 0.00 C ATOM 81 C ASP A 6 -0.112 -8.429 7.833 1.00 0.00 C ATOM 82 O ASP A 6 0.979 -8.882 7.494 1.00 0.00 O ATOM 83 CB ASP A 6 -0.140 -7.285 10.029 1.00 0.00 C ATOM 84 CG ASP A 6 1.173 -7.885 10.535 1.00 0.00 C ATOM 85 OD1 ASP A 6 2.054 -8.125 9.681 1.00 0.00 O ATOM 86 OD2 ASP A 6 1.265 -8.091 11.765 1.00 0.00 O ATOM 0 H ASP A 6 -2.298 -6.939 8.401 1.00 0.00 H new ATOM 0 HA ASP A 6 0.611 -6.412 8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.302 -6.330 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.959 -7.942 10.322 1.00 0.00 H new ATOM 91 N ASP A 7 -1.270 -9.048 7.653 1.00 0.00 N ATOM 92 CA ASP A 7 -1.331 -10.352 7.017 1.00 0.00 C ATOM 93 C ASP A 7 -0.726 -10.259 5.614 1.00 0.00 C ATOM 94 O ASP A 7 -0.393 -11.278 5.009 1.00 0.00 O ATOM 95 CB ASP A 7 -2.777 -10.830 6.876 1.00 0.00 C ATOM 96 CG ASP A 7 -3.379 -11.450 8.140 1.00 0.00 C ATOM 97 OD1 ASP A 7 -2.745 -12.389 8.668 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.458 -10.969 8.549 1.00 0.00 O ATOM 0 H ASP A 7 -2.174 -8.670 7.937 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.778 -11.056 7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.396 -9.985 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.825 -11.564 6.071 1.00 0.00 H new ATOM 103 N CYS A 8 -0.602 -9.030 5.138 1.00 0.00 N ATOM 104 CA CYS A 8 -0.043 -8.790 3.818 1.00 0.00 C ATOM 105 C CYS A 8 1.312 -9.495 3.736 1.00 0.00 C ATOM 106 O CYS A 8 1.907 -9.826 4.760 1.00 0.00 O ATOM 107 CB CYS A 8 0.072 -7.295 3.515 1.00 0.00 C ATOM 108 SG CYS A 8 1.660 -6.786 2.758 1.00 0.00 S ATOM 0 H CYS A 8 -0.879 -8.188 5.643 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.710 -9.197 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.741 -7.010 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.068 -6.739 4.442 1.00 0.00 H new ATOM 0 HG CYS A 8 1.647 -5.504 2.543 1.00 0.00 H new ATOM 113 N MET A 9 1.760 -9.705 2.506 1.00 0.00 N ATOM 114 CA MET A 9 3.035 -10.365 2.277 1.00 0.00 C ATOM 115 C MET A 9 4.118 -9.352 1.901 1.00 0.00 C ATOM 116 O MET A 9 4.868 -8.891 2.760 1.00 0.00 O ATOM 117 CB MET A 9 2.883 -11.392 1.152 1.00 0.00 C ATOM 118 CG MET A 9 2.891 -12.817 1.707 1.00 0.00 C ATOM 119 SD MET A 9 1.322 -13.605 1.388 1.00 0.00 S ATOM 120 CE MET A 9 0.656 -13.651 3.044 1.00 0.00 C ATOM 0 H MET A 9 1.263 -9.430 1.659 1.00 0.00 H new ATOM 0 HA MET A 9 3.335 -10.863 3.199 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.952 -11.213 0.614 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.694 -11.273 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.696 -13.391 1.247 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.086 -12.797 2.779 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.428 -13.542 3.003 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.907 -14.603 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.081 -12.836 3.630 1.00 0.00 H new ATOM 130 N ALA A 10 4.163 -9.032 0.616 1.00 0.00 N ATOM 131 CA ALA A 10 5.141 -8.082 0.115 1.00 0.00 C ATOM 132 C ALA A 10 5.259 -8.230 -1.403 1.00 0.00 C ATOM 133 O ALA A 10 6.335 -8.525 -1.920 1.00 0.00 O ATOM 134 CB ALA A 10 6.477 -8.301 0.828 1.00 0.00 C ATOM 0 H ALA A 10 3.538 -9.414 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 10 4.824 -7.060 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.211 -7.588 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.345 -8.155 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.828 -9.316 0.640 1.00 0.00 H new ATOM 140 N CYS A 11 4.137 -8.017 -2.076 1.00 0.00 N ATOM 141 CA CYS A 11 4.101 -8.124 -3.524 1.00 0.00 C ATOM 142 C CYS A 11 4.827 -6.911 -4.113 1.00 0.00 C ATOM 143 O CYS A 11 5.401 -6.994 -5.197 1.00 0.00 O ATOM 144 CB CYS A 11 2.668 -8.239 -4.048 1.00 0.00 C ATOM 145 SG CYS A 11 2.493 -9.189 -5.601 1.00 0.00 S ATOM 0 H CYS A 11 3.246 -7.771 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 11 4.607 -9.038 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.052 -8.708 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.272 -7.236 -4.206 1.00 0.00 H new ATOM 0 HG CYS A 11 1.241 -9.223 -5.950 1.00 0.00 H new ATOM 150 N GLU A 12 4.778 -5.815 -3.371 1.00 0.00 N ATOM 151 CA GLU A 12 5.425 -4.588 -3.806 1.00 0.00 C ATOM 152 C GLU A 12 4.706 -4.015 -5.029 1.00 0.00 C ATOM 153 O GLU A 12 5.185 -3.064 -5.645 1.00 0.00 O ATOM 154 CB GLU A 12 6.907 -4.825 -4.102 1.00 0.00 C ATOM 155 CG GLU A 12 7.771 -4.465 -2.892 1.00 0.00 C ATOM 156 CD GLU A 12 7.914 -5.659 -1.946 1.00 0.00 C ATOM 157 OE1 GLU A 12 8.839 -6.464 -2.184 1.00 0.00 O ATOM 158 OE2 GLU A 12 7.094 -5.739 -1.005 1.00 0.00 O ATOM 0 H GLU A 12 4.301 -5.750 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 12 5.362 -3.860 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.066 -5.870 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.210 -4.227 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.757 -4.142 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.325 -3.625 -2.359 1.00 0.00 H new ATOM 165 N ALA A 13 3.568 -4.616 -5.343 1.00 0.00 N ATOM 166 CA ALA A 13 2.778 -4.177 -6.480 1.00 0.00 C ATOM 167 C ALA A 13 2.168 -2.808 -6.175 1.00 0.00 C ATOM 168 O ALA A 13 2.244 -1.893 -6.993 1.00 0.00 O ATOM 169 CB ALA A 13 1.716 -5.230 -6.802 1.00 0.00 C ATOM 0 H ALA A 13 3.174 -5.404 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 13 3.407 -4.068 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.123 -4.900 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.202 -6.176 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.065 -5.366 -5.939 1.00 0.00 H new ATOM 175 N CYS A 14 1.576 -2.711 -4.993 1.00 0.00 N ATOM 176 CA CYS A 14 0.953 -1.469 -4.569 1.00 0.00 C ATOM 177 C CYS A 14 2.027 -0.380 -4.530 1.00 0.00 C ATOM 178 O CYS A 14 1.753 0.780 -4.831 1.00 0.00 O ATOM 179 CB CYS A 14 0.247 -1.622 -3.220 1.00 0.00 C ATOM 180 SG CYS A 14 1.353 -2.027 -1.817 1.00 0.00 S ATOM 0 H CYS A 14 1.515 -3.472 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 14 0.178 -1.187 -5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.279 -0.695 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.508 -2.404 -3.307 1.00 0.00 H new ATOM 0 HG CYS A 14 0.652 -2.131 -0.727 1.00 0.00 H new ATOM 185 N VAL A 15 3.230 -0.794 -4.157 1.00 0.00 N ATOM 186 CA VAL A 15 4.347 0.132 -4.076 1.00 0.00 C ATOM 187 C VAL A 15 4.814 0.487 -5.489 1.00 0.00 C ATOM 188 O VAL A 15 5.293 1.594 -5.728 1.00 0.00 O ATOM 189 CB VAL A 15 5.460 -0.467 -3.212 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.698 0.432 -3.214 1.00 0.00 C ATOM 191 CG2 VAL A 15 4.969 -0.722 -1.786 1.00 0.00 C ATOM 0 H VAL A 15 3.455 -1.757 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 15 4.040 1.060 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 15 5.742 -1.427 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.474 -0.016 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.067 0.541 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.436 1.413 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.779 -1.148 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.647 0.218 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.131 -1.419 -1.809 1.00 0.00 H new ATOM 201 N GLU A 16 4.657 -0.472 -6.389 1.00 0.00 N ATOM 202 CA GLU A 16 5.055 -0.275 -7.772 1.00 0.00 C ATOM 203 C GLU A 16 4.037 0.607 -8.497 1.00 0.00 C ATOM 204 O GLU A 16 4.323 1.143 -9.566 1.00 0.00 O ATOM 205 CB GLU A 16 5.230 -1.614 -8.490 1.00 0.00 C ATOM 206 CG GLU A 16 6.659 -2.138 -8.333 1.00 0.00 C ATOM 207 CD GLU A 16 7.538 -1.694 -9.505 1.00 0.00 C ATOM 208 OE1 GLU A 16 7.029 -1.743 -10.646 1.00 0.00 O ATOM 209 OE2 GLU A 16 8.697 -1.315 -9.234 1.00 0.00 O ATOM 0 H GLU A 16 4.259 -1.389 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 16 6.019 0.233 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.526 -2.342 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.996 -1.497 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.083 -1.774 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.647 -3.226 -8.275 1.00 0.00 H new ATOM 216 N ILE A 17 2.867 0.730 -7.886 1.00 0.00 N ATOM 217 CA ILE A 17 1.804 1.537 -8.460 1.00 0.00 C ATOM 218 C ILE A 17 1.811 2.921 -7.809 1.00 0.00 C ATOM 219 O ILE A 17 1.726 3.936 -8.497 1.00 0.00 O ATOM 220 CB ILE A 17 0.461 0.811 -8.350 1.00 0.00 C ATOM 221 CG1 ILE A 17 -0.259 0.780 -9.700 1.00 0.00 C ATOM 222 CG2 ILE A 17 -0.406 1.430 -7.252 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.247 2.161 -10.358 1.00 0.00 C ATOM 0 H ILE A 17 2.632 0.284 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 17 1.973 1.686 -9.526 1.00 0.00 H new ATOM 0 HB ILE A 17 0.653 -0.223 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.223 0.056 -10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.288 0.448 -9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.355 0.897 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.111 1.356 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.593 2.479 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.765 2.112 -11.316 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.751 2.878 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.783 2.479 -10.518 1.00 0.00 H new ATOM 235 N CYS A 18 1.913 2.917 -6.487 1.00 0.00 N ATOM 236 CA CYS A 18 1.933 4.159 -5.734 1.00 0.00 C ATOM 237 C CYS A 18 3.002 4.044 -4.646 1.00 0.00 C ATOM 238 O CYS A 18 2.683 3.816 -3.480 1.00 0.00 O ATOM 239 CB CYS A 18 0.557 4.489 -5.152 1.00 0.00 C ATOM 240 SG CYS A 18 0.100 6.260 -5.216 1.00 0.00 S ATOM 0 H CYS A 18 1.983 2.073 -5.919 1.00 0.00 H new ATOM 0 HA CYS A 18 2.181 4.987 -6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.197 3.914 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.529 4.158 -4.114 1.00 0.00 H new ATOM 245 N PRO A 19 4.280 4.212 -5.076 1.00 0.00 N ATOM 246 CA PRO A 19 5.398 4.129 -4.151 1.00 0.00 C ATOM 247 C PRO A 19 5.488 5.388 -3.286 1.00 0.00 C ATOM 248 O PRO A 19 6.398 5.521 -2.469 1.00 0.00 O ATOM 249 CB PRO A 19 6.621 3.925 -5.030 1.00 0.00 C ATOM 250 CG PRO A 19 6.210 4.363 -6.426 1.00 0.00 C ATOM 251 CD PRO A 19 4.695 4.483 -6.449 1.00 0.00 C ATOM 0 HA PRO A 19 5.295 3.311 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.464 4.514 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.936 2.881 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.672 5.317 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.547 3.639 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.381 5.477 -6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.252 3.770 -7.144 1.00 0.00 H new ATOM 259 N ASP A 20 4.531 6.281 -3.495 1.00 0.00 N ATOM 260 CA ASP A 20 4.491 7.524 -2.745 1.00 0.00 C ATOM 261 C ASP A 20 3.449 7.408 -1.630 1.00 0.00 C ATOM 262 O ASP A 20 3.352 8.285 -0.772 1.00 0.00 O ATOM 263 CB ASP A 20 4.093 8.697 -3.643 1.00 0.00 C ATOM 264 CG ASP A 20 5.169 9.771 -3.817 1.00 0.00 C ATOM 265 OD1 ASP A 20 5.227 10.663 -2.943 1.00 0.00 O ATOM 266 OD2 ASP A 20 5.908 9.676 -4.820 1.00 0.00 O ATOM 0 H ASP A 20 3.778 6.168 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 20 5.486 7.704 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.826 8.309 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.198 9.164 -3.231 1.00 0.00 H new ATOM 271 N VAL A 21 2.696 6.319 -1.678 1.00 0.00 N ATOM 272 CA VAL A 21 1.666 6.077 -0.683 1.00 0.00 C ATOM 273 C VAL A 21 2.067 4.880 0.181 1.00 0.00 C ATOM 274 O VAL A 21 1.731 4.821 1.363 1.00 0.00 O ATOM 275 CB VAL A 21 0.310 5.892 -1.368 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.806 5.714 -0.337 1.00 0.00 C ATOM 277 CG2 VAL A 21 0.007 7.061 -2.307 1.00 0.00 C ATOM 0 H VAL A 21 2.779 5.594 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 21 1.566 6.937 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 21 0.359 4.983 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.759 5.585 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.601 4.835 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.855 6.596 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.962 6.905 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.013 7.990 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.780 7.122 -3.073 1.00 0.00 H new ATOM 287 N PHE A 22 2.781 3.954 -0.443 1.00 0.00 N ATOM 288 CA PHE A 22 3.232 2.761 0.254 1.00 0.00 C ATOM 289 C PHE A 22 4.710 2.488 -0.029 1.00 0.00 C ATOM 290 O PHE A 22 5.094 2.249 -1.173 1.00 0.00 O ATOM 291 CB PHE A 22 2.398 1.592 -0.276 1.00 0.00 C ATOM 292 CG PHE A 22 0.897 1.876 -0.340 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.167 1.934 0.806 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.293 2.073 -1.542 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.228 2.199 0.747 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.102 2.337 -1.601 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.832 2.394 -0.456 1.00 0.00 C ATOM 0 H PHE A 22 3.058 4.006 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 22 3.114 2.890 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.751 1.331 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.566 0.722 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.647 1.779 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.873 2.029 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.808 2.246 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.582 2.492 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.892 2.594 -0.501 1.00 0.00 H new ATOM 307 N GLU A 23 5.501 2.531 1.034 1.00 0.00 N ATOM 308 CA GLU A 23 6.928 2.291 0.915 1.00 0.00 C ATOM 309 C GLU A 23 7.340 1.098 1.780 1.00 0.00 C ATOM 310 O GLU A 23 7.109 1.094 2.989 1.00 0.00 O ATOM 311 CB GLU A 23 7.727 3.541 1.289 1.00 0.00 C ATOM 312 CG GLU A 23 9.070 3.165 1.919 1.00 0.00 C ATOM 313 CD GLU A 23 9.939 2.382 0.933 1.00 0.00 C ATOM 314 OE1 GLU A 23 9.354 1.826 -0.021 1.00 0.00 O ATOM 315 OE2 GLU A 23 11.169 2.356 1.156 1.00 0.00 O ATOM 0 H GLU A 23 5.179 2.729 1.982 1.00 0.00 H new ATOM 0 HA GLU A 23 7.151 2.055 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.896 4.149 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.152 4.150 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.594 4.068 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.901 2.567 2.814 1.00 0.00 H new ATOM 322 N MET A 24 7.942 0.114 1.128 1.00 0.00 N ATOM 323 CA MET A 24 8.388 -1.082 1.823 1.00 0.00 C ATOM 324 C MET A 24 8.941 -0.737 3.207 1.00 0.00 C ATOM 325 O MET A 24 9.495 0.343 3.407 1.00 0.00 O ATOM 326 CB MET A 24 9.472 -1.778 0.998 1.00 0.00 C ATOM 327 CG MET A 24 9.245 -1.560 -0.500 1.00 0.00 C ATOM 328 SD MET A 24 10.078 -2.833 -1.434 1.00 0.00 S ATOM 329 CE MET A 24 10.074 -2.081 -3.053 1.00 0.00 C ATOM 0 H MET A 24 8.131 0.120 0.126 1.00 0.00 H new ATOM 0 HA MET A 24 7.533 -1.747 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.452 -1.394 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.472 -2.846 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.178 -1.575 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.618 -0.579 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.592 -2.732 -3.758 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.046 -1.934 -3.383 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.582 -1.118 -3.008 1.00 0.00 H new ATOM 339 N ASN A 25 8.774 -1.676 4.127 1.00 0.00 N ATOM 340 CA ASN A 25 9.250 -1.486 5.486 1.00 0.00 C ATOM 341 C ASN A 25 10.767 -1.285 5.468 1.00 0.00 C ATOM 342 O ASN A 25 11.303 -0.657 4.556 1.00 0.00 O ATOM 343 CB ASN A 25 8.946 -2.709 6.353 1.00 0.00 C ATOM 344 CG ASN A 25 8.948 -2.342 7.838 1.00 0.00 C ATOM 345 OD1 ASN A 25 8.261 -1.436 8.283 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.756 -3.095 8.580 1.00 0.00 N ATOM 0 H ASN A 25 8.315 -2.571 3.957 1.00 0.00 H new ATOM 0 HA ASN A 25 8.743 -0.615 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.975 -3.122 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.688 -3.486 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.828 -2.930 9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.304 -3.837 8.145 1.00 0.00 H new ATOM 353 N GLU A 26 11.417 -1.832 6.485 1.00 0.00 N ATOM 354 CA GLU A 26 12.861 -1.721 6.596 1.00 0.00 C ATOM 355 C GLU A 26 13.532 -3.007 6.106 1.00 0.00 C ATOM 356 O GLU A 26 14.737 -3.029 5.866 1.00 0.00 O ATOM 357 CB GLU A 26 13.277 -1.399 8.033 1.00 0.00 C ATOM 358 CG GLU A 26 14.403 -0.364 8.059 1.00 0.00 C ATOM 359 CD GLU A 26 14.585 0.212 9.465 1.00 0.00 C ATOM 360 OE1 GLU A 26 13.558 0.619 10.049 1.00 0.00 O ATOM 361 OE2 GLU A 26 15.748 0.233 9.924 1.00 0.00 O ATOM 0 H GLU A 26 10.970 -2.353 7.239 1.00 0.00 H new ATOM 0 HA GLU A 26 13.192 -0.898 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.418 -1.021 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.604 -2.310 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.333 -0.825 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.179 0.441 7.359 1.00 0.00 H new ATOM 368 N GLU A 27 12.720 -4.046 5.973 1.00 0.00 N ATOM 369 CA GLU A 27 13.220 -5.331 5.517 1.00 0.00 C ATOM 370 C GLU A 27 12.623 -5.677 4.151 1.00 0.00 C ATOM 371 O GLU A 27 13.031 -6.651 3.520 1.00 0.00 O ATOM 372 CB GLU A 27 12.923 -6.429 6.539 1.00 0.00 C ATOM 373 CG GLU A 27 13.071 -5.903 7.969 1.00 0.00 C ATOM 374 CD GLU A 27 13.869 -6.881 8.832 1.00 0.00 C ATOM 375 OE1 GLU A 27 15.035 -7.142 8.464 1.00 0.00 O ATOM 376 OE2 GLU A 27 13.296 -7.344 9.842 1.00 0.00 O ATOM 0 H GLU A 27 11.720 -4.024 6.173 1.00 0.00 H new ATOM 0 HA GLU A 27 14.303 -5.262 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.911 -6.806 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.602 -7.268 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.570 -4.934 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.085 -5.747 8.407 1.00 0.00 H new ATOM 383 N GLY A 28 11.666 -4.861 3.735 1.00 0.00 N ATOM 384 CA GLY A 28 11.009 -5.069 2.455 1.00 0.00 C ATOM 385 C GLY A 28 10.104 -6.302 2.498 1.00 0.00 C ATOM 386 O GLY A 28 10.029 -7.055 1.528 1.00 0.00 O ATOM 0 H GLY A 28 11.329 -4.055 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.419 -4.189 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.758 -5.190 1.673 1.00 0.00 H new ATOM 390 N ASP A 29 9.438 -6.469 3.630 1.00 0.00 N ATOM 391 CA ASP A 29 8.542 -7.598 3.812 1.00 0.00 C ATOM 392 C ASP A 29 7.154 -7.084 4.198 1.00 0.00 C ATOM 393 O ASP A 29 6.239 -7.872 4.433 1.00 0.00 O ATOM 394 CB ASP A 29 9.033 -8.517 4.932 1.00 0.00 C ATOM 395 CG ASP A 29 8.893 -10.014 4.648 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.845 -10.573 4.063 1.00 0.00 O ATOM 397 OD2 ASP A 29 7.835 -10.566 5.023 1.00 0.00 O ATOM 0 H ASP A 29 9.501 -5.841 4.431 1.00 0.00 H new ATOM 0 HA ASP A 29 8.509 -8.156 2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.082 -8.296 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.482 -8.282 5.842 1.00 0.00 H new ATOM 402 N LYS A 30 7.040 -5.765 4.250 1.00 0.00 N ATOM 403 CA LYS A 30 5.778 -5.136 4.603 1.00 0.00 C ATOM 404 C LYS A 30 5.756 -3.706 4.060 1.00 0.00 C ATOM 405 O LYS A 30 6.650 -2.914 4.352 1.00 0.00 O ATOM 406 CB LYS A 30 5.539 -5.225 6.111 1.00 0.00 C ATOM 407 CG LYS A 30 4.058 -5.029 6.444 1.00 0.00 C ATOM 408 CD LYS A 30 3.837 -4.989 7.958 1.00 0.00 C ATOM 409 CE LYS A 30 3.415 -3.591 8.414 1.00 0.00 C ATOM 410 NZ LYS A 30 2.505 -3.678 9.577 1.00 0.00 N ATOM 0 H LYS A 30 7.801 -5.114 4.054 1.00 0.00 H new ATOM 0 HA LYS A 30 4.946 -5.666 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.873 -6.195 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.134 -4.468 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.700 -4.102 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.473 -5.839 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.071 -5.713 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.753 -5.281 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.296 -3.006 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.920 -3.069 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.228 -2.720 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.656 -4.218 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.990 -4.157 10.362 1.00 0.00 H new ATOM 423 N ALA A 31 4.724 -3.419 3.279 1.00 0.00 N ATOM 424 CA ALA A 31 4.574 -2.098 2.694 1.00 0.00 C ATOM 425 C ALA A 31 4.012 -1.140 3.745 1.00 0.00 C ATOM 426 O ALA A 31 2.836 -1.219 4.097 1.00 0.00 O ATOM 427 CB ALA A 31 3.685 -2.189 1.452 1.00 0.00 C ATOM 0 H ALA A 31 3.984 -4.079 3.038 1.00 0.00 H new ATOM 0 HA ALA A 31 5.540 -1.707 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.572 -1.198 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.144 -2.859 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.705 -2.575 1.733 1.00 0.00 H new ATOM 433 N VAL A 32 4.878 -0.254 4.216 1.00 0.00 N ATOM 434 CA VAL A 32 4.482 0.719 5.219 1.00 0.00 C ATOM 435 C VAL A 32 3.836 1.923 4.531 1.00 0.00 C ATOM 436 O VAL A 32 4.183 2.253 3.396 1.00 0.00 O ATOM 437 CB VAL A 32 5.687 1.101 6.083 1.00 0.00 C ATOM 438 CG1 VAL A 32 5.292 2.116 7.156 1.00 0.00 C ATOM 439 CG2 VAL A 32 6.326 -0.141 6.710 1.00 0.00 C ATOM 0 H VAL A 32 5.852 -0.190 3.921 1.00 0.00 H new ATOM 0 HA VAL A 32 3.738 0.291 5.891 1.00 0.00 H new ATOM 0 HB VAL A 32 6.429 1.570 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.166 2.370 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.904 3.017 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.524 1.686 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.180 0.157 7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.594 -0.650 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.660 -0.815 5.922 1.00 0.00 H new ATOM 449 N VAL A 33 2.910 2.545 5.243 1.00 0.00 N ATOM 450 CA VAL A 33 2.212 3.705 4.714 1.00 0.00 C ATOM 451 C VAL A 33 3.091 4.945 4.886 1.00 0.00 C ATOM 452 O VAL A 33 3.757 5.102 5.909 1.00 0.00 O ATOM 453 CB VAL A 33 0.843 3.844 5.384 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.012 4.937 4.711 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.096 2.509 5.384 1.00 0.00 C ATOM 0 H VAL A 33 2.626 2.268 6.183 1.00 0.00 H new ATOM 0 HA VAL A 33 2.025 3.584 3.647 1.00 0.00 H new ATOM 0 HB VAL A 33 1.005 4.138 6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.956 5.015 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.536 5.890 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.137 4.686 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.874 2.635 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.050 2.174 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.678 1.766 5.929 1.00 0.00 H new ATOM 465 N ILE A 34 3.063 5.797 3.872 1.00 0.00 N ATOM 466 CA ILE A 34 3.849 7.019 3.899 1.00 0.00 C ATOM 467 C ILE A 34 2.912 8.225 3.795 1.00 0.00 C ATOM 468 O ILE A 34 3.138 9.248 4.440 1.00 0.00 O ATOM 469 CB ILE A 34 4.929 6.986 2.817 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.754 5.769 1.906 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.326 7.042 3.435 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.741 5.814 0.736 1.00 0.00 C ATOM 0 H ILE A 34 2.508 5.665 3.026 1.00 0.00 H new ATOM 0 HA ILE A 34 4.382 7.108 4.846 1.00 0.00 H new ATOM 0 HB ILE A 34 4.817 7.874 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.906 4.855 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.733 5.739 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.075 7.017 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.434 7.963 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.467 6.186 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.596 4.938 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.570 6.717 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.761 5.819 1.120 1.00 0.00 H new ATOM 484 N ASN A 35 1.880 8.065 2.981 1.00 0.00 N ATOM 485 CA ASN A 35 0.909 9.127 2.785 1.00 0.00 C ATOM 486 C ASN A 35 -0.454 8.670 3.311 1.00 0.00 C ATOM 487 O ASN A 35 -1.270 8.143 2.557 1.00 0.00 O ATOM 488 CB ASN A 35 0.752 9.464 1.301 1.00 0.00 C ATOM 489 CG ASN A 35 0.194 10.876 1.115 1.00 0.00 C ATOM 490 OD1 ASN A 35 0.657 11.504 0.038 1.00 0.00 O flip ATOM 491 ND2 ASN A 35 -0.604 11.365 1.899 1.00 0.00 N flip ATOM 0 H ASN A 35 1.695 7.215 2.449 1.00 0.00 H new ATOM 0 HA ASN A 35 1.262 10.008 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.718 9.382 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.087 8.741 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.919 10.828 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.955 12.310 1.746 1.00 0.00 H new ATOM 498 N PRO A 36 -0.662 8.893 4.636 1.00 0.00 N ATOM 499 CA PRO A 36 -1.911 8.509 5.272 1.00 0.00 C ATOM 500 C PRO A 36 -3.036 9.476 4.898 1.00 0.00 C ATOM 501 O PRO A 36 -3.874 9.814 5.733 1.00 0.00 O ATOM 502 CB PRO A 36 -1.608 8.502 6.762 1.00 0.00 C ATOM 503 CG PRO A 36 -0.342 9.325 6.934 1.00 0.00 C ATOM 504 CD PRO A 36 0.282 9.514 5.561 1.00 0.00 C ATOM 0 HA PRO A 36 -2.266 7.531 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.433 8.931 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.465 7.485 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.573 10.290 7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.354 8.819 7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.424 10.570 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.262 9.041 5.503 1.00 0.00 H new ATOM 512 N ASP A 37 -3.020 9.894 3.639 1.00 0.00 N ATOM 513 CA ASP A 37 -4.029 10.814 3.143 1.00 0.00 C ATOM 514 C ASP A 37 -3.676 11.228 1.713 1.00 0.00 C ATOM 515 O ASP A 37 -3.811 12.395 1.350 1.00 0.00 O ATOM 516 CB ASP A 37 -4.088 12.080 4.001 1.00 0.00 C ATOM 517 CG ASP A 37 -5.126 13.113 3.557 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.254 12.682 3.234 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.768 14.311 3.552 1.00 0.00 O ATOM 0 H ASP A 37 -2.324 9.612 2.949 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.994 10.308 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.300 11.793 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.105 12.550 3.997 1.00 0.00 H new ATOM 524 N SER A 38 -3.231 10.248 0.940 1.00 0.00 N ATOM 525 CA SER A 38 -2.858 10.496 -0.442 1.00 0.00 C ATOM 526 C SER A 38 -4.103 10.489 -1.329 1.00 0.00 C ATOM 527 O SER A 38 -4.637 11.546 -1.666 1.00 0.00 O ATOM 528 CB SER A 38 -1.849 9.456 -0.935 1.00 0.00 C ATOM 529 OG SER A 38 -0.650 10.061 -1.411 1.00 0.00 O ATOM 0 H SER A 38 -3.120 9.281 1.245 1.00 0.00 H new ATOM 0 HA SER A 38 -2.385 11.477 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.611 8.768 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.298 8.864 -1.733 1.00 0.00 H new ATOM 0 HG SER A 38 -0.563 10.959 -1.029 1.00 0.00 H new ATOM 535 N ASP A 39 -4.532 9.287 -1.684 1.00 0.00 N ATOM 536 CA ASP A 39 -5.706 9.128 -2.526 1.00 0.00 C ATOM 537 C ASP A 39 -5.519 9.939 -3.811 1.00 0.00 C ATOM 538 O ASP A 39 -6.390 10.720 -4.186 1.00 0.00 O ATOM 539 CB ASP A 39 -6.962 9.641 -1.821 1.00 0.00 C ATOM 540 CG ASP A 39 -8.285 9.150 -2.417 1.00 0.00 C ATOM 541 OD1 ASP A 39 -8.704 8.040 -2.027 1.00 0.00 O ATOM 542 OD2 ASP A 39 -8.844 9.898 -3.248 1.00 0.00 O ATOM 0 H ASP A 39 -4.087 8.413 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.824 8.067 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.920 9.343 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.953 10.731 -1.843 1.00 0.00 H new ATOM 547 N LEU A 40 -4.378 9.724 -4.447 1.00 0.00 N ATOM 548 CA LEU A 40 -4.067 10.424 -5.682 1.00 0.00 C ATOM 549 C LEU A 40 -4.680 9.668 -6.861 1.00 0.00 C ATOM 550 O LEU A 40 -4.395 9.977 -8.018 1.00 0.00 O ATOM 551 CB LEU A 40 -2.557 10.641 -5.809 1.00 0.00 C ATOM 552 CG LEU A 40 -1.777 10.715 -4.494 1.00 0.00 C ATOM 553 CD1 LEU A 40 -0.907 9.471 -4.303 1.00 0.00 C ATOM 554 CD2 LEU A 40 -0.959 12.005 -4.412 1.00 0.00 C ATOM 0 H LEU A 40 -3.657 9.075 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.510 11.420 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.143 9.831 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.388 11.565 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.493 10.737 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.363 9.548 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.540 8.584 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.197 9.393 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.415 12.031 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.251 12.040 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.627 12.864 -4.470 1.00 0.00 H new ATOM 566 N ASP A 41 -5.512 8.691 -6.529 1.00 0.00 N ATOM 567 CA ASP A 41 -6.167 7.888 -7.546 1.00 0.00 C ATOM 568 C ASP A 41 -5.301 6.667 -7.864 1.00 0.00 C ATOM 569 O ASP A 41 -5.642 5.869 -8.735 1.00 0.00 O ATOM 570 CB ASP A 41 -6.354 8.683 -8.840 1.00 0.00 C ATOM 571 CG ASP A 41 -7.497 8.201 -9.737 1.00 0.00 C ATOM 572 OD1 ASP A 41 -8.589 7.957 -9.182 1.00 0.00 O ATOM 573 OD2 ASP A 41 -7.250 8.086 -10.957 1.00 0.00 O ATOM 0 H ASP A 41 -5.747 8.438 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.142 7.589 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.529 9.728 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.425 8.645 -9.409 1.00 0.00 H new ATOM 578 N CYS A 42 -4.197 6.560 -7.139 1.00 0.00 N ATOM 579 CA CYS A 42 -3.280 5.451 -7.333 1.00 0.00 C ATOM 580 C CYS A 42 -3.463 4.468 -6.175 1.00 0.00 C ATOM 581 O CYS A 42 -2.655 3.558 -5.993 1.00 0.00 O ATOM 582 CB CYS A 42 -1.831 5.929 -7.450 1.00 0.00 C ATOM 583 SG CYS A 42 -1.329 7.172 -6.206 1.00 0.00 S ATOM 0 H CYS A 42 -3.917 7.223 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.506 4.950 -8.274 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.171 5.066 -7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.682 6.350 -8.444 1.00 0.00 H new ATOM 588 N VAL A 43 -4.532 4.684 -5.422 1.00 0.00 N ATOM 589 CA VAL A 43 -4.833 3.828 -4.286 1.00 0.00 C ATOM 590 C VAL A 43 -5.761 2.699 -4.737 1.00 0.00 C ATOM 591 O VAL A 43 -5.762 1.619 -4.148 1.00 0.00 O ATOM 592 CB VAL A 43 -5.415 4.662 -3.143 1.00 0.00 C ATOM 593 CG1 VAL A 43 -6.146 3.773 -2.134 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.326 5.489 -2.458 1.00 0.00 C ATOM 0 H VAL A 43 -5.200 5.439 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.923 3.367 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.142 5.354 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.550 4.390 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.960 3.249 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.449 3.047 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.767 6.072 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.565 4.823 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.869 6.162 -3.184 1.00 0.00 H new ATOM 604 N GLU A 44 -6.531 2.988 -5.776 1.00 0.00 N ATOM 605 CA GLU A 44 -7.463 2.010 -6.312 1.00 0.00 C ATOM 606 C GLU A 44 -6.727 1.012 -7.210 1.00 0.00 C ATOM 607 O GLU A 44 -7.075 -0.167 -7.249 1.00 0.00 O ATOM 608 CB GLU A 44 -8.601 2.694 -7.070 1.00 0.00 C ATOM 609 CG GLU A 44 -8.161 3.088 -8.482 1.00 0.00 C ATOM 610 CD GLU A 44 -9.058 4.190 -9.049 1.00 0.00 C ATOM 611 OE1 GLU A 44 -10.248 3.888 -9.283 1.00 0.00 O ATOM 612 OE2 GLU A 44 -8.534 5.309 -9.236 1.00 0.00 O ATOM 0 H GLU A 44 -6.529 3.885 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.904 1.463 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.459 2.024 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.924 3.581 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.127 3.431 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.195 2.215 -9.134 1.00 0.00 H new ATOM 619 N GLU A 45 -5.724 1.522 -7.909 1.00 0.00 N ATOM 620 CA GLU A 45 -4.937 0.691 -8.804 1.00 0.00 C ATOM 621 C GLU A 45 -3.881 -0.086 -8.015 1.00 0.00 C ATOM 622 O GLU A 45 -3.227 -0.976 -8.557 1.00 0.00 O ATOM 623 CB GLU A 45 -4.290 1.532 -9.906 1.00 0.00 C ATOM 624 CG GLU A 45 -3.306 2.545 -9.315 1.00 0.00 C ATOM 625 CD GLU A 45 -3.139 3.751 -10.244 1.00 0.00 C ATOM 626 OE1 GLU A 45 -4.182 4.251 -10.719 1.00 0.00 O ATOM 627 OE2 GLU A 45 -1.972 4.145 -10.455 1.00 0.00 O ATOM 0 H GLU A 45 -5.438 2.500 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.604 -0.025 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.769 0.880 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.062 2.056 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.663 2.878 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.339 2.068 -9.155 1.00 0.00 H new ATOM 634 N ALA A 46 -3.748 0.278 -6.749 1.00 0.00 N ATOM 635 CA ALA A 46 -2.783 -0.374 -5.880 1.00 0.00 C ATOM 636 C ALA A 46 -3.460 -1.537 -5.154 1.00 0.00 C ATOM 637 O ALA A 46 -2.793 -2.466 -4.703 1.00 0.00 O ATOM 638 CB ALA A 46 -2.192 0.652 -4.912 1.00 0.00 C ATOM 0 H ALA A 46 -4.292 1.016 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.959 -0.785 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.468 0.163 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.696 1.442 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.990 1.084 -4.308 1.00 0.00 H new ATOM 644 N ILE A 47 -4.780 -1.448 -5.064 1.00 0.00 N ATOM 645 CA ILE A 47 -5.555 -2.483 -4.400 1.00 0.00 C ATOM 646 C ILE A 47 -5.979 -3.535 -5.427 1.00 0.00 C ATOM 647 O ILE A 47 -5.868 -4.734 -5.174 1.00 0.00 O ATOM 648 CB ILE A 47 -6.727 -1.866 -3.634 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.256 -1.251 -2.314 1.00 0.00 C ATOM 650 CG2 ILE A 47 -7.844 -2.889 -3.423 1.00 0.00 C ATOM 651 CD1 ILE A 47 -6.866 0.138 -2.108 1.00 0.00 C ATOM 0 H ILE A 47 -5.331 -0.676 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.947 -2.993 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.141 -1.058 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.536 -1.902 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.168 -1.179 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.664 -2.424 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.205 -3.239 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.460 -3.734 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.515 0.553 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.565 0.793 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.953 0.059 -2.088 1.00 0.00 H new ATOM 663 N ASP A 48 -6.453 -3.048 -6.564 1.00 0.00 N ATOM 664 CA ASP A 48 -6.894 -3.932 -7.630 1.00 0.00 C ATOM 665 C ASP A 48 -5.733 -4.838 -8.048 1.00 0.00 C ATOM 666 O ASP A 48 -5.920 -6.037 -8.252 1.00 0.00 O ATOM 667 CB ASP A 48 -7.336 -3.135 -8.859 1.00 0.00 C ATOM 668 CG ASP A 48 -8.687 -3.548 -9.446 1.00 0.00 C ATOM 669 OD1 ASP A 48 -9.223 -4.572 -8.971 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.155 -2.830 -10.357 1.00 0.00 O ATOM 0 H ASP A 48 -6.541 -2.053 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.735 -4.517 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.380 -2.079 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.575 -3.236 -9.632 1.00 0.00 H new ATOM 675 N SER A 49 -4.562 -4.231 -8.162 1.00 0.00 N ATOM 676 CA SER A 49 -3.371 -4.968 -8.551 1.00 0.00 C ATOM 677 C SER A 49 -2.931 -5.890 -7.412 1.00 0.00 C ATOM 678 O SER A 49 -2.166 -6.828 -7.629 1.00 0.00 O ATOM 679 CB SER A 49 -2.235 -4.016 -8.933 1.00 0.00 C ATOM 680 OG SER A 49 -2.529 -3.283 -10.119 1.00 0.00 O ATOM 0 H SER A 49 -4.412 -3.237 -7.992 1.00 0.00 H new ATOM 0 HA SER A 49 -3.612 -5.572 -9.426 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.053 -3.321 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.317 -4.586 -9.077 1.00 0.00 H new ATOM 0 HG SER A 49 -2.805 -2.373 -9.881 1.00 0.00 H new ATOM 686 N CYS A 50 -3.435 -5.592 -6.224 1.00 0.00 N ATOM 687 CA CYS A 50 -3.104 -6.383 -5.051 1.00 0.00 C ATOM 688 C CYS A 50 -4.081 -7.557 -4.972 1.00 0.00 C ATOM 689 O CYS A 50 -5.277 -7.361 -4.765 1.00 0.00 O ATOM 690 CB CYS A 50 -3.121 -5.538 -3.775 1.00 0.00 C ATOM 691 SG CYS A 50 -2.997 -6.496 -2.218 1.00 0.00 S ATOM 0 H CYS A 50 -4.070 -4.814 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.087 -6.764 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.295 -4.828 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.042 -4.955 -3.754 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.019 -5.682 -1.205 1.00 0.00 H new ATOM 696 N PRO A 51 -3.520 -8.784 -5.144 1.00 0.00 N ATOM 697 CA PRO A 51 -4.329 -9.990 -5.094 1.00 0.00 C ATOM 698 C PRO A 51 -4.717 -10.331 -3.654 1.00 0.00 C ATOM 699 O PRO A 51 -5.756 -10.943 -3.415 1.00 0.00 O ATOM 700 CB PRO A 51 -3.476 -11.064 -5.750 1.00 0.00 C ATOM 701 CG PRO A 51 -2.050 -10.537 -5.723 1.00 0.00 C ATOM 702 CD PRO A 51 -2.107 -9.054 -5.391 1.00 0.00 C ATOM 0 HA PRO A 51 -5.279 -9.881 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.554 -12.008 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.803 -11.253 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.459 -11.072 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.567 -10.694 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.500 -8.820 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.726 -8.449 -6.214 1.00 0.00 H new ATOM 710 N ALA A 52 -3.859 -9.921 -2.731 1.00 0.00 N ATOM 711 CA ALA A 52 -4.098 -10.175 -1.321 1.00 0.00 C ATOM 712 C ALA A 52 -5.059 -9.119 -0.772 1.00 0.00 C ATOM 713 O ALA A 52 -5.500 -9.210 0.373 1.00 0.00 O ATOM 714 CB ALA A 52 -2.764 -10.195 -0.571 1.00 0.00 C ATOM 0 H ALA A 52 -2.997 -9.414 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.565 -11.150 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.944 -10.386 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.129 -10.982 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.267 -9.232 -0.687 1.00 0.00 H new ATOM 720 N GLU A 53 -5.354 -8.139 -1.614 1.00 0.00 N ATOM 721 CA GLU A 53 -6.255 -7.066 -1.228 1.00 0.00 C ATOM 722 C GLU A 53 -6.113 -6.766 0.266 1.00 0.00 C ATOM 723 O GLU A 53 -7.111 -6.628 0.972 1.00 0.00 O ATOM 724 CB GLU A 53 -7.702 -7.410 -1.584 1.00 0.00 C ATOM 725 CG GLU A 53 -8.288 -8.415 -0.588 1.00 0.00 C ATOM 726 CD GLU A 53 -8.674 -9.719 -1.288 1.00 0.00 C ATOM 727 OE1 GLU A 53 -7.787 -10.593 -1.391 1.00 0.00 O ATOM 728 OE2 GLU A 53 -9.849 -9.812 -1.705 1.00 0.00 O ATOM 0 H GLU A 53 -4.985 -8.066 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.982 -6.170 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.305 -6.502 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.744 -7.824 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.560 -8.621 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.165 -7.984 -0.105 1.00 0.00 H new ATOM 735 N ALA A 54 -4.866 -6.675 0.703 1.00 0.00 N ATOM 736 CA ALA A 54 -4.581 -6.394 2.099 1.00 0.00 C ATOM 737 C ALA A 54 -4.710 -4.890 2.349 1.00 0.00 C ATOM 738 O ALA A 54 -4.721 -4.446 3.497 1.00 0.00 O ATOM 739 CB ALA A 54 -3.192 -6.928 2.455 1.00 0.00 C ATOM 0 H ALA A 54 -4.041 -6.791 0.114 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.299 -6.898 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.979 -6.717 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.163 -8.005 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.444 -6.443 1.828 1.00 0.00 H new ATOM 745 N ILE A 55 -4.802 -4.146 1.257 1.00 0.00 N ATOM 746 CA ILE A 55 -4.929 -2.702 1.342 1.00 0.00 C ATOM 747 C ILE A 55 -6.409 -2.330 1.461 1.00 0.00 C ATOM 748 O ILE A 55 -7.233 -2.793 0.674 1.00 0.00 O ATOM 749 CB ILE A 55 -4.218 -2.031 0.165 1.00 0.00 C ATOM 750 CG1 ILE A 55 -2.766 -2.501 0.060 1.00 0.00 C ATOM 751 CG2 ILE A 55 -4.322 -0.507 0.259 1.00 0.00 C ATOM 752 CD1 ILE A 55 -1.873 -1.745 1.046 1.00 0.00 C ATOM 0 H ILE A 55 -4.791 -4.517 0.307 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.434 -2.328 2.238 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.720 -2.333 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.711 -3.571 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.403 -2.348 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.809 -0.054 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.371 -0.213 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.860 -0.167 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.846 -2.098 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.912 -0.678 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.224 -1.920 2.063 1.00 0.00 H new ATOM 764 N VAL A 56 -6.699 -1.497 2.450 1.00 0.00 N ATOM 765 CA VAL A 56 -8.065 -1.058 2.681 1.00 0.00 C ATOM 766 C VAL A 56 -8.067 0.436 3.009 1.00 0.00 C ATOM 767 O VAL A 56 -7.007 1.042 3.167 1.00 0.00 O ATOM 768 CB VAL A 56 -8.711 -1.911 3.774 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.181 -3.255 3.215 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.753 -2.112 4.950 1.00 0.00 C ATOM 0 H VAL A 56 -6.012 -1.115 3.100 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.667 -1.194 1.783 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.587 -1.377 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.636 -3.842 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.914 -3.085 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.328 -3.798 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.237 -2.722 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.850 -2.615 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.488 -1.143 5.374 1.00 0.00 H new ATOM 780 N ARG A 57 -9.268 0.987 3.103 1.00 0.00 N ATOM 781 CA ARG A 57 -9.421 2.400 3.409 1.00 0.00 C ATOM 782 C ARG A 57 -9.972 2.579 4.825 1.00 0.00 C ATOM 783 O ARG A 57 -10.477 3.646 5.169 1.00 0.00 O ATOM 784 CB ARG A 57 -10.363 3.080 2.414 1.00 0.00 C ATOM 785 CG ARG A 57 -11.747 2.431 2.437 1.00 0.00 C ATOM 786 CD ARG A 57 -12.804 3.371 1.852 1.00 0.00 C ATOM 787 NE ARG A 57 -13.014 4.523 2.758 1.00 0.00 N ATOM 788 CZ ARG A 57 -14.094 5.331 2.717 1.00 0.00 C ATOM 789 NH1 ARG A 57 -15.073 5.120 1.812 1.00 0.00 N ATOM 790 NH2 ARG A 57 -14.178 6.331 3.575 1.00 0.00 N ATOM 0 H ARG A 57 -10.144 0.481 2.973 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.437 2.864 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.450 4.139 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.944 3.016 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.726 1.502 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.014 2.171 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.486 3.723 0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.742 2.834 1.710 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.297 4.718 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.000 4.345 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.886 5.735 1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.433 6.483 4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.988 6.951 3.558 1.00 0.00 H new ATOM 804 N SER A 58 -9.856 1.516 5.609 1.00 0.00 N ATOM 805 CA SER A 58 -10.337 1.543 6.981 1.00 0.00 C ATOM 806 C SER A 58 -11.627 2.358 7.067 1.00 0.00 C ATOM 807 O SER A 58 -12.722 1.808 6.958 1.00 0.00 O ATOM 808 CB SER A 58 -9.279 2.121 7.924 1.00 0.00 C ATOM 809 OG SER A 58 -9.602 1.893 9.292 1.00 0.00 O ATOM 810 OXT SER A 58 -11.576 3.564 7.245 1.00 1.00 O ATOM 0 H SER A 58 -9.437 0.632 5.321 1.00 0.00 H new ATOM 0 HA SER A 58 -10.541 0.519 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.311 1.673 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.183 3.192 7.748 1.00 0.00 H new ATOM 0 HG SER A 58 -8.902 2.275 9.861 1.00 0.00 H new