USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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 104 LYS NZ :NH3+ -175:sc= 0.644 (180deg=0.00784) USER MOD Set 1.2: A 105 TYR OH : rot -135:sc= 1.81 USER MOD Set 2.1: A 78 MET CE :methyl 169:sc= 0 (180deg=-0.383) USER MOD Set 2.2: A 88 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 81 LYS NZ :NH3+ -162:sc= 0.772 (180deg=0.32) USER MOD Set 3.2: A 86 CYS SG : rot -136:sc= -0.255 USER MOD Set 4.1: A 7 ASN : amide:sc= 1.02 X(o=2.8,f=3) USER MOD Set 4.2: A 62 SER OG : rot -48:sc= 1.8 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.492 USER MOD Single : A 12 LYS NZ :NH3+ 140:sc= 0.854 (180deg=0.117) USER MOD Single : A 13 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 18 SER OG : rot -131:sc= 1.41 USER MOD Single : A 19 SER OG : rot 180:sc= 0.183 USER MOD Single : A 48 TYR OH : rot 159:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 0.889 (180deg=0.28) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.227) USER MOD Single : A 54 CYS SG : rot -137:sc= -1.86! USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= -0.103 (180deg=-1.78!) USER MOD Single : A 58 ASN : amide:sc= 0.057 K(o=0.057,f=-9.1!) USER MOD Single : A 59 THR OG1 : rot 87:sc= 0.978 USER MOD Single : A 64 ASN : amide:sc= 1.08 K(o=1.1,f=-1) USER MOD Single : A 67 SER OG : rot 69:sc= 1.14 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 20:sc= 0.966 USER MOD Single : A 76 THR OG1 : rot 108:sc= 1.32 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00474) USER MOD Single : A 95 LYS NZ :NH3+ 145:sc= -0.296 (180deg=-0.968) USER MOD Single : A 97 THR OG1 : rot 91:sc= 0.969 USER MOD Single : A 100 GLN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 101 THR OG1 : rot 80:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -2.674 -1.472 -9.670 1.00 0.00 N ATOM 36 CA ALA A 3 -1.741 -1.274 -8.572 1.00 0.00 C ATOM 37 C ALA A 3 -0.565 -0.401 -9.003 1.00 0.00 C ATOM 38 O ALA A 3 0.212 -0.804 -9.868 1.00 0.00 O ATOM 39 CB ALA A 3 -1.209 -2.607 -8.042 1.00 0.00 C ATOM 0 HA ALA A 3 -2.290 -0.772 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.515 -2.422 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.040 -3.214 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.692 -3.137 -8.842 1.00 0.00 H new ATOM 45 N GLY A 4 -0.412 0.777 -8.391 1.00 0.00 N ATOM 46 CA GLY A 4 0.734 1.628 -8.654 1.00 0.00 C ATOM 47 C GLY A 4 2.042 0.900 -8.347 1.00 0.00 C ATOM 48 O GLY A 4 2.091 0.056 -7.452 1.00 0.00 O ATOM 0 H GLY A 4 -1.072 1.156 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.726 1.942 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.666 2.532 -8.048 1.00 0.00 H new ATOM 52 N ALA A 5 3.101 1.223 -9.087 1.00 0.00 N ATOM 53 CA ALA A 5 4.445 0.753 -8.802 1.00 0.00 C ATOM 54 C ALA A 5 5.174 1.982 -8.294 1.00 0.00 C ATOM 55 O ALA A 5 5.528 2.867 -9.070 1.00 0.00 O ATOM 56 CB ALA A 5 5.111 0.175 -10.041 1.00 0.00 C ATOM 0 H ALA A 5 3.044 1.825 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 5 4.452 -0.059 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.115 -0.166 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.524 -0.666 -10.411 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.172 0.942 -10.813 1.00 0.00 H new ATOM 62 N VAL A 6 5.310 2.060 -6.978 1.00 0.00 N ATOM 63 CA VAL A 6 5.921 3.195 -6.306 1.00 0.00 C ATOM 64 C VAL A 6 7.339 2.822 -5.863 1.00 0.00 C ATOM 65 O VAL A 6 7.714 1.654 -5.806 1.00 0.00 O ATOM 66 CB VAL A 6 5.024 3.678 -5.144 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.754 4.375 -5.641 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.539 2.543 -4.249 1.00 0.00 C ATOM 0 H VAL A 6 4.995 1.328 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 6 6.010 4.038 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 6 5.667 4.361 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.157 4.696 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.027 5.244 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.173 3.682 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.914 2.949 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.958 1.836 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.397 2.032 -3.812 1.00 0.00 H new ATOM 78 N ASN A 7 8.144 3.842 -5.586 1.00 0.00 N ATOM 79 CA ASN A 7 9.519 3.768 -5.121 1.00 0.00 C ATOM 80 C ASN A 7 9.738 5.027 -4.300 1.00 0.00 C ATOM 81 O ASN A 7 8.867 5.891 -4.274 1.00 0.00 O ATOM 82 CB ASN A 7 10.493 3.700 -6.304 1.00 0.00 C ATOM 83 CG ASN A 7 10.615 2.278 -6.837 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.200 1.974 -7.950 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.200 1.394 -6.036 1.00 0.00 N ATOM 0 H ASN A 7 7.829 4.807 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 7 9.698 2.870 -4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.149 4.361 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.474 4.060 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.316 0.428 -6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.534 1.682 -5.116 1.00 0.00 H new ATOM 92 N ASP A 8 10.884 5.135 -3.635 1.00 0.00 N ATOM 93 CA ASP A 8 11.210 6.243 -2.741 1.00 0.00 C ATOM 94 C ASP A 8 10.867 7.597 -3.349 1.00 0.00 C ATOM 95 O ASP A 8 10.236 8.430 -2.706 1.00 0.00 O ATOM 96 CB ASP A 8 12.683 6.170 -2.321 1.00 0.00 C ATOM 97 CG ASP A 8 13.718 6.470 -3.399 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.450 6.137 -4.574 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.776 7.005 -3.004 1.00 0.00 O ATOM 0 H ASP A 8 11.628 4.441 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 8 10.591 6.143 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.837 6.868 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.877 5.170 -1.932 1.00 0.00 H new ATOM 104 N ASP A 9 11.292 7.792 -4.590 1.00 0.00 N ATOM 105 CA ASP A 9 11.020 8.995 -5.360 1.00 0.00 C ATOM 106 C ASP A 9 9.513 9.184 -5.558 1.00 0.00 C ATOM 107 O ASP A 9 8.900 10.063 -4.957 1.00 0.00 O ATOM 108 CB ASP A 9 11.726 8.895 -6.717 1.00 0.00 C ATOM 109 CG ASP A 9 11.345 10.067 -7.614 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.790 11.191 -7.299 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.603 9.816 -8.588 1.00 0.00 O ATOM 0 H ASP A 9 11.847 7.103 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 9 11.398 9.860 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.806 8.880 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.458 7.957 -7.203 1.00 0.00 H new ATOM 116 N THR A 10 8.920 8.343 -6.405 1.00 0.00 N ATOM 117 CA THR A 10 7.522 8.426 -6.809 1.00 0.00 C ATOM 118 C THR A 10 6.571 8.510 -5.613 1.00 0.00 C ATOM 119 O THR A 10 5.580 9.235 -5.684 1.00 0.00 O ATOM 120 CB THR A 10 7.199 7.236 -7.722 1.00 0.00 C ATOM 121 OG1 THR A 10 7.713 6.042 -7.168 1.00 0.00 O ATOM 122 CG2 THR A 10 7.840 7.435 -9.099 1.00 0.00 C ATOM 0 H THR A 10 9.415 7.564 -6.840 1.00 0.00 H new ATOM 0 HA THR A 10 7.370 9.353 -7.362 1.00 0.00 H new ATOM 0 HB THR A 10 6.115 7.170 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.642 5.319 -7.826 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.603 6.584 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.452 8.347 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.921 7.516 -8.989 1.00 0.00 H new ATOM 130 N PHE A 11 6.881 7.803 -4.520 1.00 0.00 N ATOM 131 CA PHE A 11 6.136 7.783 -3.263 1.00 0.00 C ATOM 132 C PHE A 11 5.637 9.177 -2.906 1.00 0.00 C ATOM 133 O PHE A 11 4.467 9.386 -2.593 1.00 0.00 O ATOM 134 CB PHE A 11 7.066 7.298 -2.146 1.00 0.00 C ATOM 135 CG PHE A 11 6.429 7.133 -0.783 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.831 5.908 -0.436 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.563 8.146 0.185 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.396 5.687 0.881 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.149 7.915 1.507 1.00 0.00 C ATOM 140 CZ PHE A 11 5.591 6.675 1.860 1.00 0.00 C ATOM 0 H PHE A 11 7.702 7.199 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 11 5.279 7.118 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.493 6.341 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.893 8.002 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.706 5.137 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.985 9.102 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.912 4.757 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.259 8.690 2.251 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.312 6.481 2.885 1.00 0.00 H new ATOM 150 N LYS A 12 6.553 10.136 -2.958 1.00 0.00 N ATOM 151 CA LYS A 12 6.245 11.523 -2.653 1.00 0.00 C ATOM 152 C LYS A 12 5.012 12.006 -3.418 1.00 0.00 C ATOM 153 O LYS A 12 4.049 12.482 -2.822 1.00 0.00 O ATOM 154 CB LYS A 12 7.426 12.424 -3.017 1.00 0.00 C ATOM 155 CG LYS A 12 8.460 12.534 -1.886 1.00 0.00 C ATOM 156 CD LYS A 12 9.231 11.224 -1.692 1.00 0.00 C ATOM 157 CE LYS A 12 10.370 11.377 -0.681 1.00 0.00 C ATOM 158 NZ LYS A 12 11.010 10.075 -0.421 1.00 0.00 N ATOM 0 H LYS A 12 7.527 9.972 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 12 6.044 11.579 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.912 12.035 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.056 13.419 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.160 13.338 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.956 12.800 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.546 10.447 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.637 10.896 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.109 12.082 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.984 11.791 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.040 10.202 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.648 9.683 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.794 9.420 -1.200 1.00 0.00 H new ATOM 172 N ASN A 13 5.041 11.910 -4.744 1.00 0.00 N ATOM 173 CA ASN A 13 3.942 12.436 -5.534 1.00 0.00 C ATOM 174 C ASN A 13 2.716 11.556 -5.441 1.00 0.00 C ATOM 175 O ASN A 13 1.594 12.032 -5.303 1.00 0.00 O ATOM 176 CB ASN A 13 4.323 12.530 -7.009 1.00 0.00 C ATOM 177 CG ASN A 13 3.313 13.377 -7.778 1.00 0.00 C ATOM 178 OD1 ASN A 13 2.709 12.909 -8.736 1.00 0.00 O ATOM 179 ND2 ASN A 13 3.123 14.633 -7.376 1.00 0.00 N ATOM 0 H ASN A 13 5.796 11.483 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 13 3.723 13.424 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.317 12.966 -7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.370 11.530 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.461 15.232 -7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.640 14.996 -6.575 1.00 0.00 H new ATOM 186 N VAL A 14 2.960 10.258 -5.564 1.00 0.00 N ATOM 187 CA VAL A 14 1.886 9.302 -5.737 1.00 0.00 C ATOM 188 C VAL A 14 1.132 9.060 -4.428 1.00 0.00 C ATOM 189 O VAL A 14 -0.093 8.972 -4.424 1.00 0.00 O ATOM 190 CB VAL A 14 2.444 7.980 -6.311 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.360 6.892 -6.432 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.044 8.213 -7.705 1.00 0.00 C ATOM 0 H VAL A 14 3.894 9.848 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 14 1.170 9.717 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 14 3.209 7.639 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.801 5.983 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.943 6.683 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.568 7.240 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.433 7.273 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.272 8.593 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.854 8.939 -7.636 1.00 0.00 H new ATOM 202 N VAL A 15 1.871 8.909 -3.329 1.00 0.00 N ATOM 203 CA VAL A 15 1.336 8.540 -2.028 1.00 0.00 C ATOM 204 C VAL A 15 1.085 9.775 -1.170 1.00 0.00 C ATOM 205 O VAL A 15 -0.058 10.056 -0.816 1.00 0.00 O ATOM 206 CB VAL A 15 2.306 7.561 -1.334 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.691 7.022 -0.041 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.690 6.399 -2.262 1.00 0.00 C ATOM 0 H VAL A 15 2.882 9.044 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 15 0.375 8.044 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 15 3.214 8.113 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.389 6.333 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.481 7.851 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.763 6.497 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.374 5.729 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.793 5.851 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.176 6.792 -3.155 1.00 0.00 H new ATOM 218 N LEU A 16 2.147 10.500 -0.811 1.00 0.00 N ATOM 219 CA LEU A 16 2.030 11.632 0.100 1.00 0.00 C ATOM 220 C LEU A 16 1.183 12.749 -0.501 1.00 0.00 C ATOM 221 O LEU A 16 0.141 13.103 0.044 1.00 0.00 O ATOM 222 CB LEU A 16 3.424 12.160 0.453 1.00 0.00 C ATOM 223 CG LEU A 16 4.261 11.200 1.315 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.583 11.886 1.676 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.549 10.774 2.605 1.00 0.00 C ATOM 0 H LEU A 16 3.096 10.320 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 16 1.531 11.287 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.966 12.368 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.319 13.107 0.982 1.00 0.00 H new ATOM 0 HG LEU A 16 4.427 10.297 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.186 11.215 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.126 12.132 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.378 12.800 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.191 10.097 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.332 11.655 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.617 10.266 2.356 1.00 0.00 H new ATOM 237 N GLU A 17 1.590 13.281 -1.650 1.00 0.00 N ATOM 238 CA GLU A 17 0.896 14.381 -2.310 1.00 0.00 C ATOM 239 C GLU A 17 -0.356 13.885 -3.057 1.00 0.00 C ATOM 240 O GLU A 17 -0.626 14.327 -4.173 1.00 0.00 O ATOM 241 CB GLU A 17 1.866 15.032 -3.304 1.00 0.00 C ATOM 242 CG GLU A 17 3.169 15.571 -2.689 1.00 0.00 C ATOM 243 CD GLU A 17 4.262 15.776 -3.741 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.909 15.928 -4.934 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.443 15.754 -3.335 1.00 0.00 O ATOM 0 H GLU A 17 2.417 12.958 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 17 0.570 15.100 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.120 14.301 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.352 15.853 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.968 16.517 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.525 14.876 -1.928 1.00 0.00 H new ATOM 252 N SER A 18 -1.127 12.979 -2.449 1.00 0.00 N ATOM 253 CA SER A 18 -2.363 12.471 -3.025 1.00 0.00 C ATOM 254 C SER A 18 -3.525 13.368 -2.577 1.00 0.00 C ATOM 255 O SER A 18 -3.332 14.420 -1.969 1.00 0.00 O ATOM 256 CB SER A 18 -2.585 11.012 -2.590 1.00 0.00 C ATOM 257 OG SER A 18 -3.694 10.455 -3.279 1.00 0.00 O ATOM 0 H SER A 18 -0.905 12.578 -1.538 1.00 0.00 H new ATOM 0 HA SER A 18 -2.305 12.488 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.690 10.425 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.757 10.968 -1.515 1.00 0.00 H new ATOM 0 HG SER A 18 -4.291 10.016 -2.638 1.00 0.00 H new ATOM 263 N SER A 19 -4.740 12.920 -2.876 1.00 0.00 N ATOM 264 CA SER A 19 -6.007 13.540 -2.526 1.00 0.00 C ATOM 265 C SER A 19 -6.859 12.465 -1.855 1.00 0.00 C ATOM 266 O SER A 19 -7.161 12.530 -0.666 1.00 0.00 O ATOM 267 CB SER A 19 -6.659 14.076 -3.807 1.00 0.00 C ATOM 268 OG SER A 19 -6.663 13.074 -4.813 1.00 0.00 O ATOM 0 H SER A 19 -4.871 12.057 -3.404 1.00 0.00 H new ATOM 0 HA SER A 19 -5.887 14.380 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.680 14.395 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.117 14.953 -4.160 1.00 0.00 H new ATOM 0 HG SER A 19 -7.083 13.427 -5.625 1.00 0.00 H new ATOM 274 N VAL A 20 -7.208 11.455 -2.648 1.00 0.00 N ATOM 275 CA VAL A 20 -7.947 10.276 -2.223 1.00 0.00 C ATOM 276 C VAL A 20 -6.945 9.335 -1.524 1.00 0.00 C ATOM 277 O VAL A 20 -5.736 9.493 -1.726 1.00 0.00 O ATOM 278 CB VAL A 20 -8.631 9.663 -3.461 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.541 10.684 -4.158 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.640 9.078 -4.479 1.00 0.00 C ATOM 0 H VAL A 20 -6.974 11.438 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.741 10.496 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.232 8.837 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.009 10.221 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.313 11.016 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.948 11.541 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.189 8.664 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.972 9.865 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.054 8.290 -4.005 1.00 0.00 H new ATOM 290 N PRO A 21 -7.380 8.388 -0.671 1.00 0.00 N ATOM 291 CA PRO A 21 -6.436 7.543 0.043 1.00 0.00 C ATOM 292 C PRO A 21 -5.660 6.637 -0.919 1.00 0.00 C ATOM 293 O PRO A 21 -6.093 6.352 -2.034 1.00 0.00 O ATOM 294 CB PRO A 21 -7.264 6.725 1.025 1.00 0.00 C ATOM 295 CG PRO A 21 -8.612 6.624 0.329 1.00 0.00 C ATOM 296 CD PRO A 21 -8.748 7.965 -0.394 1.00 0.00 C ATOM 0 HA PRO A 21 -5.686 8.141 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.826 5.743 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.345 7.218 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.640 5.788 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.421 6.470 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.322 7.860 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.269 8.696 0.225 1.00 0.00 H new ATOM 304 N VAL A 22 -4.518 6.148 -0.448 1.00 0.00 N ATOM 305 CA VAL A 22 -3.577 5.316 -1.176 1.00 0.00 C ATOM 306 C VAL A 22 -3.174 4.129 -0.294 1.00 0.00 C ATOM 307 O VAL A 22 -2.694 4.326 0.822 1.00 0.00 O ATOM 308 CB VAL A 22 -2.347 6.160 -1.565 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.357 5.364 -2.427 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.750 7.461 -2.272 1.00 0.00 C ATOM 0 H VAL A 22 -4.210 6.334 0.506 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.034 4.933 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.845 6.424 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.505 5.995 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.011 4.492 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.851 5.039 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.855 8.027 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.304 7.225 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.378 8.056 -1.609 1.00 0.00 H new ATOM 320 N LEU A 23 -3.360 2.897 -0.776 1.00 0.00 N ATOM 321 CA LEU A 23 -2.959 1.692 -0.057 1.00 0.00 C ATOM 322 C LEU A 23 -1.625 1.259 -0.643 1.00 0.00 C ATOM 323 O LEU A 23 -1.607 0.677 -1.724 1.00 0.00 O ATOM 324 CB LEU A 23 -4.025 0.593 -0.209 1.00 0.00 C ATOM 325 CG LEU A 23 -3.823 -0.613 0.729 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.103 -1.454 0.748 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.659 -1.521 0.304 1.00 0.00 C ATOM 0 H LEU A 23 -3.795 2.710 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.861 1.882 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.007 1.026 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.024 0.241 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.587 -0.210 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.967 -2.309 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.933 -0.846 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.322 -1.807 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.570 -2.351 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.848 -1.910 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.732 -0.947 0.301 1.00 0.00 H new ATOM 339 N VAL A 24 -0.513 1.546 0.034 1.00 0.00 N ATOM 340 CA VAL A 24 0.785 1.110 -0.463 1.00 0.00 C ATOM 341 C VAL A 24 1.112 -0.215 0.220 1.00 0.00 C ATOM 342 O VAL A 24 0.867 -0.366 1.421 1.00 0.00 O ATOM 343 CB VAL A 24 1.883 2.166 -0.233 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.421 3.581 -0.598 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.399 2.189 1.200 1.00 0.00 C ATOM 0 H VAL A 24 -0.486 2.068 0.910 1.00 0.00 H new ATOM 0 HA VAL A 24 0.744 0.976 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 24 2.693 1.863 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.232 4.286 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.141 3.612 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.561 3.852 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.170 2.953 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.577 2.415 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.820 1.215 1.451 1.00 0.00 H new ATOM 355 N ASP A 25 1.644 -1.171 -0.543 1.00 0.00 N ATOM 356 CA ASP A 25 2.142 -2.431 -0.005 1.00 0.00 C ATOM 357 C ASP A 25 3.662 -2.433 -0.144 1.00 0.00 C ATOM 358 O ASP A 25 4.175 -2.382 -1.260 1.00 0.00 O ATOM 359 CB ASP A 25 1.537 -3.635 -0.735 1.00 0.00 C ATOM 360 CG ASP A 25 2.184 -4.946 -0.275 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.478 -5.051 0.937 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.375 -5.822 -1.145 1.00 0.00 O ATOM 0 H ASP A 25 1.740 -1.090 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 25 1.852 -2.518 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.463 -3.673 -0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.673 -3.517 -1.810 1.00 0.00 H new ATOM 367 N PHE A 26 4.410 -2.501 0.954 1.00 0.00 N ATOM 368 CA PHE A 26 5.862 -2.559 0.858 1.00 0.00 C ATOM 369 C PHE A 26 6.176 -4.004 0.485 1.00 0.00 C ATOM 370 O PHE A 26 5.905 -4.903 1.281 1.00 0.00 O ATOM 371 CB PHE A 26 6.496 -2.155 2.195 1.00 0.00 C ATOM 372 CG PHE A 26 6.422 -0.670 2.523 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.202 -0.064 2.886 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.598 0.104 2.524 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.163 1.292 3.252 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.563 1.446 2.938 1.00 0.00 C ATOM 377 CZ PHE A 26 6.345 2.047 3.294 1.00 0.00 C ATOM 0 H PHE A 26 4.041 -2.517 1.905 1.00 0.00 H new ATOM 0 HA PHE A 26 6.266 -1.870 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.007 -2.712 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.543 -2.458 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.292 -0.646 2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.531 -0.336 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.220 1.755 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.478 2.018 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.318 3.083 3.598 1.00 0.00 H new ATOM 387 N TRP A 27 6.683 -4.218 -0.736 1.00 0.00 N ATOM 388 CA TRP A 27 6.928 -5.572 -1.247 1.00 0.00 C ATOM 389 C TRP A 27 8.373 -5.735 -1.702 1.00 0.00 C ATOM 390 O TRP A 27 9.205 -4.839 -1.573 1.00 0.00 O ATOM 391 CB TRP A 27 6.002 -5.898 -2.436 1.00 0.00 C ATOM 392 CG TRP A 27 6.417 -5.307 -3.747 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.382 -3.991 -4.011 1.00 0.00 C ATOM 394 CD2 TRP A 27 7.031 -5.929 -4.920 1.00 0.00 C ATOM 395 NE1 TRP A 27 7.020 -3.720 -5.200 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.451 -4.884 -5.801 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.350 -7.250 -5.318 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.180 -5.137 -6.974 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.891 -7.500 -6.586 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.375 -6.459 -7.384 1.00 0.00 C ATOM 0 H TRP A 27 6.931 -3.473 -1.387 1.00 0.00 H new ATOM 0 HA TRP A 27 6.722 -6.259 -0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.945 -6.981 -2.545 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.997 -5.548 -2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.918 -3.249 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.156 -2.785 -5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.175 -8.071 -4.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.585 -4.320 -7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.935 -8.515 -6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.894 -6.674 -8.307 1.00 0.00 H new ATOM 411 N ALA A 28 8.654 -6.901 -2.280 1.00 0.00 N ATOM 412 CA ALA A 28 9.888 -7.253 -2.963 1.00 0.00 C ATOM 413 C ALA A 28 9.626 -8.592 -3.652 1.00 0.00 C ATOM 414 O ALA A 28 8.914 -9.409 -3.084 1.00 0.00 O ATOM 415 CB ALA A 28 11.056 -7.422 -2.002 1.00 0.00 C ATOM 0 H ALA A 28 7.983 -7.669 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 28 10.158 -6.458 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.953 -7.684 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.224 -6.488 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.829 -8.215 -1.289 1.00 0.00 H new ATOM 421 N PRO A 29 10.143 -8.851 -4.854 1.00 0.00 N ATOM 422 CA PRO A 29 9.951 -10.104 -5.575 1.00 0.00 C ATOM 423 C PRO A 29 9.945 -11.401 -4.760 1.00 0.00 C ATOM 424 O PRO A 29 9.004 -12.182 -4.868 1.00 0.00 O ATOM 425 CB PRO A 29 11.087 -10.070 -6.561 1.00 0.00 C ATOM 426 CG PRO A 29 11.154 -8.617 -7.007 1.00 0.00 C ATOM 427 CD PRO A 29 10.889 -7.904 -5.675 1.00 0.00 C ATOM 0 HA PRO A 29 8.947 -10.144 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.023 -10.389 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.903 -10.737 -7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.124 -8.358 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.403 -8.380 -7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.824 -7.620 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.319 -6.988 -5.829 1.00 0.00 H new ATOM 435 N TRP A 30 10.978 -11.649 -3.952 1.00 0.00 N ATOM 436 CA TRP A 30 11.072 -12.863 -3.143 1.00 0.00 C ATOM 437 C TRP A 30 9.919 -12.987 -2.134 1.00 0.00 C ATOM 438 O TRP A 30 9.688 -14.062 -1.580 1.00 0.00 O ATOM 439 CB TRP A 30 12.428 -12.871 -2.424 1.00 0.00 C ATOM 440 CG TRP A 30 12.753 -11.654 -1.606 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.587 -10.659 -1.982 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.275 -11.286 -0.275 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.655 -9.700 -0.993 1.00 0.00 N ATOM 444 CE2 TRP A 30 12.861 -10.036 0.084 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.412 -11.881 0.672 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.596 -9.405 1.309 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.109 -11.239 1.888 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.695 -10.002 2.205 1.00 0.00 C ATOM 0 H TRP A 30 11.770 -11.015 -3.841 1.00 0.00 H new ATOM 0 HA TRP A 30 10.992 -13.725 -3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.464 -13.743 -1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.211 -13.001 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.122 -10.621 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.219 -8.852 -1.050 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.977 -12.846 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.079 -8.472 1.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.422 -11.700 2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.453 -9.511 3.136 1.00 0.00 H new ATOM 459 N CYS A 31 9.197 -11.893 -1.877 1.00 0.00 N ATOM 460 CA CYS A 31 8.114 -11.863 -0.904 1.00 0.00 C ATOM 461 C CYS A 31 6.885 -12.611 -1.427 1.00 0.00 C ATOM 462 O CYS A 31 5.927 -12.004 -1.907 1.00 0.00 O ATOM 463 CB CYS A 31 7.755 -10.420 -0.559 1.00 0.00 C ATOM 464 SG CYS A 31 6.415 -10.263 0.628 1.00 0.00 S ATOM 0 H CYS A 31 9.353 -11.000 -2.344 1.00 0.00 H new ATOM 0 HA CYS A 31 8.454 -12.367 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.639 -9.922 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.479 -9.896 -1.474 1.00 0.00 H new ATOM 469 N GLY A 32 6.909 -13.942 -1.307 1.00 0.00 N ATOM 470 CA GLY A 32 5.810 -14.828 -1.676 1.00 0.00 C ATOM 471 C GLY A 32 4.435 -14.240 -1.333 1.00 0.00 C ATOM 472 O GLY A 32 3.606 -14.093 -2.231 1.00 0.00 O ATOM 0 H GLY A 32 7.718 -14.443 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.857 -15.032 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.931 -15.783 -1.164 1.00 0.00 H new ATOM 476 N PRO A 33 4.176 -13.883 -0.061 1.00 0.00 N ATOM 477 CA PRO A 33 2.923 -13.273 0.355 1.00 0.00 C ATOM 478 C PRO A 33 2.540 -12.069 -0.509 1.00 0.00 C ATOM 479 O PRO A 33 1.414 -11.976 -0.989 1.00 0.00 O ATOM 480 CB PRO A 33 3.131 -12.873 1.814 1.00 0.00 C ATOM 481 CG PRO A 33 4.118 -13.921 2.313 1.00 0.00 C ATOM 482 CD PRO A 33 5.028 -14.115 1.098 1.00 0.00 C ATOM 0 HA PRO A 33 2.094 -13.971 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.533 -11.864 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.198 -12.896 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.672 -13.575 3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.619 -14.847 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.864 -13.416 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.452 -15.119 1.080 1.00 0.00 H new ATOM 490 N CYS A 34 3.491 -11.157 -0.721 1.00 0.00 N ATOM 491 CA CYS A 34 3.290 -9.956 -1.512 1.00 0.00 C ATOM 492 C CYS A 34 2.866 -10.360 -2.920 1.00 0.00 C ATOM 493 O CYS A 34 1.919 -9.814 -3.476 1.00 0.00 O ATOM 494 CB CYS A 34 4.545 -9.113 -1.621 1.00 0.00 C ATOM 495 SG CYS A 34 5.397 -8.602 -0.100 1.00 0.00 S ATOM 0 H CYS A 34 4.433 -11.239 -0.340 1.00 0.00 H new ATOM 0 HA CYS A 34 2.526 -9.361 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.261 -9.666 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.288 -8.209 -2.174 1.00 0.00 H new ATOM 500 N ARG A 35 3.590 -11.319 -3.505 1.00 0.00 N ATOM 501 CA ARG A 35 3.318 -11.793 -4.846 1.00 0.00 C ATOM 502 C ARG A 35 1.924 -12.402 -4.946 1.00 0.00 C ATOM 503 O ARG A 35 1.213 -12.113 -5.903 1.00 0.00 O ATOM 504 CB ARG A 35 4.381 -12.812 -5.270 1.00 0.00 C ATOM 505 CG ARG A 35 5.796 -12.230 -5.413 1.00 0.00 C ATOM 506 CD ARG A 35 5.848 -10.909 -6.190 1.00 0.00 C ATOM 507 NE ARG A 35 5.123 -10.991 -7.465 1.00 0.00 N ATOM 508 CZ ARG A 35 4.728 -9.935 -8.190 1.00 0.00 C ATOM 509 NH1 ARG A 35 5.057 -8.693 -7.820 1.00 0.00 N ATOM 510 NH2 ARG A 35 4.000 -10.133 -9.293 1.00 0.00 N ATOM 0 H ARG A 35 4.379 -11.782 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 35 3.356 -10.939 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.405 -13.619 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.085 -13.253 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.216 -12.073 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.430 -12.961 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.420 -10.113 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.887 -10.641 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 35 4.904 -11.920 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.614 -8.542 -6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.751 -7.896 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.750 -11.081 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.694 -9.337 -9.852 1.00 0.00 H new ATOM 524 N ILE A 36 1.523 -13.248 -3.995 1.00 0.00 N ATOM 525 CA ILE A 36 0.198 -13.856 -4.079 1.00 0.00 C ATOM 526 C ILE A 36 -0.907 -12.831 -3.782 1.00 0.00 C ATOM 527 O ILE A 36 -2.015 -13.028 -4.275 1.00 0.00 O ATOM 528 CB ILE A 36 0.095 -15.171 -3.274 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.331 -15.050 -1.763 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.120 -16.163 -3.845 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.922 -14.650 -0.980 1.00 0.00 C ATOM 0 H ILE A 36 2.077 -13.520 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 36 0.036 -14.167 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.938 -15.502 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.698 -16.003 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.113 -14.312 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.066 -17.101 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.900 -16.349 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.122 -15.744 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.682 -14.583 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.278 -13.682 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.699 -15.399 -1.130 1.00 0.00 H new ATOM 543 N ILE A 37 -0.658 -11.747 -3.022 1.00 0.00 N ATOM 544 CA ILE A 37 -1.693 -10.716 -2.857 1.00 0.00 C ATOM 545 C ILE A 37 -1.686 -9.753 -4.056 1.00 0.00 C ATOM 546 O ILE A 37 -2.752 -9.258 -4.403 1.00 0.00 O ATOM 547 CB ILE A 37 -1.642 -9.976 -1.502 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.363 -9.153 -1.307 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.843 -10.988 -0.364 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.245 -8.539 0.093 1.00 0.00 C ATOM 0 H ILE A 37 0.218 -11.568 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.650 -11.237 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.453 -9.248 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.502 -9.790 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.336 -8.356 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.808 -10.470 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.811 -11.475 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.053 -11.738 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.682 -7.970 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.092 -7.877 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.241 -9.333 0.839 1.00 0.00 H new ATOM 562 N ALA A 38 -0.557 -9.533 -4.751 1.00 0.00 N ATOM 563 CA ALA A 38 -0.430 -8.662 -5.918 1.00 0.00 C ATOM 564 C ALA A 38 -1.611 -8.678 -6.912 1.00 0.00 C ATOM 565 O ALA A 38 -2.028 -7.603 -7.334 1.00 0.00 O ATOM 566 CB ALA A 38 0.874 -8.972 -6.664 1.00 0.00 C ATOM 0 H ALA A 38 0.325 -9.979 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.428 -7.654 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.961 -8.319 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.722 -8.806 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.867 -10.012 -6.992 1.00 0.00 H new ATOM 572 N PRO A 39 -2.183 -9.819 -7.330 1.00 0.00 N ATOM 573 CA PRO A 39 -3.323 -9.817 -8.239 1.00 0.00 C ATOM 574 C PRO A 39 -4.486 -9.042 -7.613 1.00 0.00 C ATOM 575 O PRO A 39 -5.186 -8.273 -8.268 1.00 0.00 O ATOM 576 CB PRO A 39 -3.697 -11.291 -8.458 1.00 0.00 C ATOM 577 CG PRO A 39 -2.468 -12.065 -7.979 1.00 0.00 C ATOM 578 CD PRO A 39 -1.921 -11.164 -6.877 1.00 0.00 C ATOM 0 HA PRO A 39 -3.088 -9.333 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.586 -11.565 -7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.913 -11.496 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.732 -13.053 -7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.743 -12.213 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.413 -11.362 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.854 -11.329 -6.726 1.00 0.00 H new ATOM 586 N VAL A 40 -4.663 -9.247 -6.309 1.00 0.00 N ATOM 587 CA VAL A 40 -5.703 -8.628 -5.515 1.00 0.00 C ATOM 588 C VAL A 40 -5.334 -7.158 -5.283 1.00 0.00 C ATOM 589 O VAL A 40 -6.155 -6.272 -5.492 1.00 0.00 O ATOM 590 CB VAL A 40 -5.886 -9.414 -4.201 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.314 -9.202 -3.707 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.692 -10.932 -4.362 1.00 0.00 C ATOM 0 H VAL A 40 -4.064 -9.869 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.661 -8.652 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.130 -9.044 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.463 -9.751 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.485 -8.140 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.016 -9.564 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.835 -11.421 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.419 -11.318 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.684 -11.134 -4.725 1.00 0.00 H new ATOM 602 N VAL A 41 -4.088 -6.886 -4.878 1.00 0.00 N ATOM 603 CA VAL A 41 -3.553 -5.537 -4.699 1.00 0.00 C ATOM 604 C VAL A 41 -3.812 -4.744 -5.989 1.00 0.00 C ATOM 605 O VAL A 41 -4.148 -3.565 -5.926 1.00 0.00 O ATOM 606 CB VAL A 41 -2.073 -5.605 -4.221 1.00 0.00 C ATOM 607 CG1 VAL A 41 -0.978 -5.267 -5.238 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.793 -4.713 -3.002 1.00 0.00 C ATOM 0 H VAL A 41 -3.410 -7.617 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.059 -4.990 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.005 -6.670 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.001 -5.357 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.038 -5.957 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.116 -4.246 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.745 -4.804 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.012 -3.675 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.424 -5.026 -2.170 1.00 0.00 H new ATOM 618 N ASP A 42 -3.726 -5.390 -7.155 1.00 0.00 N ATOM 619 CA ASP A 42 -4.091 -4.752 -8.410 1.00 0.00 C ATOM 620 C ASP A 42 -5.599 -4.541 -8.489 1.00 0.00 C ATOM 621 O ASP A 42 -6.058 -3.406 -8.620 1.00 0.00 O ATOM 622 CB ASP A 42 -3.615 -5.581 -9.602 1.00 0.00 C ATOM 623 CG ASP A 42 -3.734 -4.736 -10.861 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.839 -3.881 -11.028 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.722 -4.928 -11.600 1.00 0.00 O ATOM 0 H ASP A 42 -3.406 -6.354 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.599 -3.780 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.582 -5.896 -9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.215 -6.486 -9.696 1.00 0.00 H new ATOM 630 N GLU A 43 -6.366 -5.633 -8.394 1.00 0.00 N ATOM 631 CA GLU A 43 -7.819 -5.583 -8.541 1.00 0.00 C ATOM 632 C GLU A 43 -8.440 -4.483 -7.674 1.00 0.00 C ATOM 633 O GLU A 43 -9.330 -3.775 -8.144 1.00 0.00 O ATOM 634 CB GLU A 43 -8.469 -6.957 -8.283 1.00 0.00 C ATOM 635 CG GLU A 43 -9.144 -7.131 -6.909 1.00 0.00 C ATOM 636 CD GLU A 43 -9.827 -8.486 -6.759 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.139 -9.096 -7.805 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.050 -8.878 -5.594 1.00 0.00 O ATOM 0 H GLU A 43 -5.998 -6.567 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.027 -5.325 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.214 -7.137 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.704 -7.726 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.397 -7.016 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.880 -6.340 -6.767 1.00 0.00 H new ATOM 645 N ILE A 44 -7.975 -4.311 -6.433 1.00 0.00 N ATOM 646 CA ILE A 44 -8.494 -3.291 -5.528 1.00 0.00 C ATOM 647 C ILE A 44 -8.469 -1.915 -6.202 1.00 0.00 C ATOM 648 O ILE A 44 -9.447 -1.173 -6.103 1.00 0.00 O ATOM 649 CB ILE A 44 -7.710 -3.312 -4.199 1.00 0.00 C ATOM 650 CG1 ILE A 44 -7.986 -4.598 -3.391 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.049 -2.097 -3.323 1.00 0.00 C ATOM 652 CD1 ILE A 44 -9.394 -4.734 -2.803 1.00 0.00 C ATOM 0 H ILE A 44 -7.228 -4.877 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.535 -3.510 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.655 -3.279 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.799 -5.456 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.266 -4.651 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.478 -2.146 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.795 -1.181 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.115 -2.100 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.471 -5.675 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.586 -3.904 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.128 -4.721 -3.609 1.00 0.00 H new ATOM 664 N ALA A 45 -7.389 -1.567 -6.911 1.00 0.00 N ATOM 665 CA ALA A 45 -7.295 -0.283 -7.603 1.00 0.00 C ATOM 666 C ALA A 45 -8.307 -0.197 -8.749 1.00 0.00 C ATOM 667 O ALA A 45 -8.651 0.899 -9.194 1.00 0.00 O ATOM 668 CB ALA A 45 -5.883 -0.091 -8.146 1.00 0.00 C ATOM 0 H ALA A 45 -6.567 -2.161 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.523 0.507 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.818 0.868 -8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.171 -0.109 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.649 -0.894 -8.845 1.00 0.00 H new ATOM 674 N GLY A 46 -8.731 -1.340 -9.288 1.00 0.00 N ATOM 675 CA GLY A 46 -9.776 -1.418 -10.292 1.00 0.00 C ATOM 676 C GLY A 46 -11.149 -1.218 -9.643 1.00 0.00 C ATOM 677 O GLY A 46 -11.969 -0.461 -10.154 1.00 0.00 O ATOM 0 H GLY A 46 -8.347 -2.249 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.613 -0.659 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.739 -2.386 -10.791 1.00 0.00 H new ATOM 681 N GLU A 47 -11.399 -1.893 -8.518 1.00 0.00 N ATOM 682 CA GLU A 47 -12.675 -1.880 -7.819 1.00 0.00 C ATOM 683 C GLU A 47 -12.914 -0.590 -7.028 1.00 0.00 C ATOM 684 O GLU A 47 -13.796 0.202 -7.348 1.00 0.00 O ATOM 685 CB GLU A 47 -12.728 -3.090 -6.880 1.00 0.00 C ATOM 686 CG GLU A 47 -12.746 -4.429 -7.633 1.00 0.00 C ATOM 687 CD GLU A 47 -12.829 -5.619 -6.678 1.00 0.00 C ATOM 688 OE1 GLU A 47 -13.196 -5.385 -5.504 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.527 -6.739 -7.141 1.00 0.00 O ATOM 0 H GLU A 47 -10.698 -2.477 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.466 -1.930 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.866 -3.065 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.617 -3.019 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.596 -4.451 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.846 -4.515 -8.243 1.00 0.00 H new ATOM 696 N TYR A 48 -12.104 -0.357 -5.996 1.00 0.00 N ATOM 697 CA TYR A 48 -12.255 0.758 -5.058 1.00 0.00 C ATOM 698 C TYR A 48 -11.643 2.066 -5.584 1.00 0.00 C ATOM 699 O TYR A 48 -11.422 2.998 -4.807 1.00 0.00 O ATOM 700 CB TYR A 48 -11.642 0.347 -3.709 1.00 0.00 C ATOM 701 CG TYR A 48 -12.361 -0.802 -3.022 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.047 -2.135 -3.345 1.00 0.00 C ATOM 703 CD2 TYR A 48 -13.363 -0.539 -2.068 1.00 0.00 C ATOM 704 CE1 TYR A 48 -12.732 -3.196 -2.727 1.00 0.00 C ATOM 705 CE2 TYR A 48 -14.030 -1.600 -1.430 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.713 -2.929 -1.760 1.00 0.00 C ATOM 707 OH TYR A 48 -14.335 -3.966 -1.132 1.00 0.00 O ATOM 0 H TYR A 48 -11.304 -0.953 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.317 0.967 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.600 0.067 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.643 1.211 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.276 -2.344 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.620 0.481 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.503 -4.216 -2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.786 -1.394 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.722 -3.652 -0.288 1.00 0.00 H new ATOM 717 N LYS A 49 -11.430 2.144 -6.908 1.00 0.00 N ATOM 718 CA LYS A 49 -10.880 3.265 -7.672 1.00 0.00 C ATOM 719 C LYS A 49 -11.389 4.608 -7.164 1.00 0.00 C ATOM 720 O LYS A 49 -10.643 5.577 -7.063 1.00 0.00 O ATOM 721 CB LYS A 49 -11.281 3.071 -9.144 1.00 0.00 C ATOM 722 CG LYS A 49 -12.797 3.024 -9.409 1.00 0.00 C ATOM 723 CD LYS A 49 -13.108 2.546 -10.834 1.00 0.00 C ATOM 724 CE LYS A 49 -14.525 1.962 -10.924 1.00 0.00 C ATOM 725 NZ LYS A 49 -14.645 0.696 -10.172 1.00 0.00 N ATOM 0 H LYS A 49 -11.658 1.358 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.796 3.277 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.851 3.882 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.836 2.144 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.272 2.357 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.224 4.015 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.010 3.379 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.381 1.792 -11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.242 2.685 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.782 1.790 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.430 0.135 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.759 0.157 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.831 0.904 -9.170 1.00 0.00 H new ATOM 739 N ASP A 50 -12.688 4.612 -6.870 1.00 0.00 N ATOM 740 CA ASP A 50 -13.471 5.704 -6.312 1.00 0.00 C ATOM 741 C ASP A 50 -12.667 6.518 -5.303 1.00 0.00 C ATOM 742 O ASP A 50 -12.681 7.746 -5.324 1.00 0.00 O ATOM 743 CB ASP A 50 -14.684 5.092 -5.609 1.00 0.00 C ATOM 744 CG ASP A 50 -15.682 6.162 -5.189 1.00 0.00 C ATOM 745 OD1 ASP A 50 -16.379 6.670 -6.092 1.00 0.00 O ATOM 746 OD2 ASP A 50 -15.733 6.445 -3.973 1.00 0.00 O ATOM 0 H ASP A 50 -13.262 3.784 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.768 6.377 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.171 4.380 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.355 4.535 -4.732 1.00 0.00 H new ATOM 751 N LYS A 51 -11.995 5.796 -4.405 1.00 0.00 N ATOM 752 CA LYS A 51 -11.167 6.370 -3.356 1.00 0.00 C ATOM 753 C LYS A 51 -9.764 5.782 -3.328 1.00 0.00 C ATOM 754 O LYS A 51 -8.776 6.505 -3.332 1.00 0.00 O ATOM 755 CB LYS A 51 -11.824 6.116 -1.986 1.00 0.00 C ATOM 756 CG LYS A 51 -12.939 7.140 -1.731 1.00 0.00 C ATOM 757 CD LYS A 51 -13.772 6.848 -0.474 1.00 0.00 C ATOM 758 CE LYS A 51 -14.632 5.586 -0.635 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.641 5.474 0.433 1.00 0.00 N ATOM 0 H LYS A 51 -12.015 4.776 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.084 7.436 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.234 5.106 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.074 6.181 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.495 8.131 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.601 7.166 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.107 6.727 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.416 7.701 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.129 5.606 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.991 4.705 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.202 4.610 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.165 5.430 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.269 6.303 0.406 1.00 0.00 H new ATOM 773 N LEU A 52 -9.685 4.464 -3.228 1.00 0.00 N ATOM 774 CA LEU A 52 -8.453 3.809 -2.849 1.00 0.00 C ATOM 775 C LEU A 52 -7.490 3.568 -4.006 1.00 0.00 C ATOM 776 O LEU A 52 -7.729 2.756 -4.902 1.00 0.00 O ATOM 777 CB LEU A 52 -8.823 2.531 -2.109 1.00 0.00 C ATOM 778 CG LEU A 52 -7.711 2.022 -1.185 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.145 3.069 -0.212 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.363 0.916 -0.355 1.00 0.00 C ATOM 0 H LEU A 52 -10.464 3.830 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.887 4.474 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.723 2.708 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.065 1.756 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.868 1.710 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.365 2.614 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.725 3.901 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.943 3.435 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.630 0.498 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.198 1.330 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.727 0.131 -1.017 1.00 0.00 H new ATOM 792 N LYS A 53 -6.356 4.260 -3.942 1.00 0.00 N ATOM 793 CA LYS A 53 -5.274 4.145 -4.895 1.00 0.00 C ATOM 794 C LYS A 53 -4.375 3.011 -4.396 1.00 0.00 C ATOM 795 O LYS A 53 -3.487 3.225 -3.574 1.00 0.00 O ATOM 796 CB LYS A 53 -4.549 5.500 -4.988 1.00 0.00 C ATOM 797 CG LYS A 53 -4.206 5.889 -6.430 1.00 0.00 C ATOM 798 CD LYS A 53 -3.175 4.918 -7.027 1.00 0.00 C ATOM 799 CE LYS A 53 -2.764 5.323 -8.447 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.043 6.609 -8.466 1.00 0.00 N ATOM 0 H LYS A 53 -6.166 4.934 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.612 3.906 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.176 6.274 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.633 5.458 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.111 5.884 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.812 6.905 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.292 4.888 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.592 3.911 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.132 4.546 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.652 5.396 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.419 6.645 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.728 7.390 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.473 6.700 -7.601 1.00 0.00 H new ATOM 814 N CYS A 54 -4.614 1.777 -4.834 1.00 0.00 N ATOM 815 CA CYS A 54 -3.794 0.672 -4.351 1.00 0.00 C ATOM 816 C CYS A 54 -2.462 0.662 -5.099 1.00 0.00 C ATOM 817 O CYS A 54 -2.439 0.979 -6.288 1.00 0.00 O ATOM 818 CB CYS A 54 -4.537 -0.652 -4.508 1.00 0.00 C ATOM 819 SG CYS A 54 -3.724 -1.831 -3.421 1.00 0.00 S ATOM 0 H CYS A 54 -5.343 1.523 -5.500 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.590 0.806 -3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.588 -0.540 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.505 -0.994 -5.543 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.597 -2.970 -4.034 1.00 0.00 H new ATOM 825 N VAL A 55 -1.349 0.348 -4.429 1.00 0.00 N ATOM 826 CA VAL A 55 -0.023 0.347 -5.046 1.00 0.00 C ATOM 827 C VAL A 55 0.934 -0.564 -4.273 1.00 0.00 C ATOM 828 O VAL A 55 0.592 -1.076 -3.207 1.00 0.00 O ATOM 829 CB VAL A 55 0.573 1.778 -5.140 1.00 0.00 C ATOM 830 CG1 VAL A 55 -0.360 2.926 -5.557 1.00 0.00 C ATOM 831 CG2 VAL A 55 1.145 2.249 -3.820 1.00 0.00 C ATOM 0 H VAL A 55 -1.344 0.087 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.143 -0.036 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 55 1.306 1.615 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.200 3.861 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.765 2.724 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.178 3.008 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.550 3.254 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.358 2.260 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.940 1.572 -3.506 1.00 0.00 H new ATOM 841 N LYS A 56 2.161 -0.713 -4.784 1.00 0.00 N ATOM 842 CA LYS A 56 3.199 -1.523 -4.172 1.00 0.00 C ATOM 843 C LYS A 56 4.576 -0.855 -4.325 1.00 0.00 C ATOM 844 O LYS A 56 4.881 -0.327 -5.400 1.00 0.00 O ATOM 845 CB LYS A 56 3.136 -2.918 -4.803 1.00 0.00 C ATOM 846 CG LYS A 56 3.703 -2.949 -6.232 1.00 0.00 C ATOM 847 CD LYS A 56 3.390 -4.261 -6.962 1.00 0.00 C ATOM 848 CE LYS A 56 2.015 -4.223 -7.641 1.00 0.00 C ATOM 849 NZ LYS A 56 1.969 -3.229 -8.733 1.00 0.00 N ATOM 0 H LYS A 56 2.457 -0.263 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 56 3.039 -1.617 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.692 -3.619 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.101 -3.258 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.292 -2.114 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.783 -2.808 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.159 -4.453 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.422 -5.088 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.778 -5.210 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.251 -3.985 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.335 -3.568 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.615 -2.324 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.925 -3.094 -9.120 1.00 0.00 H new ATOM 863 N LEU A 57 5.399 -0.871 -3.264 1.00 0.00 N ATOM 864 CA LEU A 57 6.733 -0.270 -3.235 1.00 0.00 C ATOM 865 C LEU A 57 7.841 -1.300 -3.071 1.00 0.00 C ATOM 866 O LEU A 57 7.848 -2.063 -2.109 1.00 0.00 O ATOM 867 CB LEU A 57 6.774 0.852 -2.183 1.00 0.00 C ATOM 868 CG LEU A 57 7.696 0.873 -0.954 1.00 0.00 C ATOM 869 CD1 LEU A 57 9.183 1.002 -1.296 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.345 2.163 -0.197 1.00 0.00 C ATOM 0 H LEU A 57 5.144 -1.315 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 57 6.931 0.181 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.985 1.770 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.758 0.938 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 57 7.550 -0.060 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.768 1.010 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.489 0.158 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.352 1.931 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.967 2.243 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.523 3.023 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.295 2.140 0.095 1.00 0.00 H new ATOM 882 N ASN A 58 8.783 -1.342 -4.020 1.00 0.00 N ATOM 883 CA ASN A 58 9.873 -2.306 -3.955 1.00 0.00 C ATOM 884 C ASN A 58 10.880 -1.877 -2.892 1.00 0.00 C ATOM 885 O ASN A 58 11.663 -0.951 -3.073 1.00 0.00 O ATOM 886 CB ASN A 58 10.529 -2.494 -5.321 1.00 0.00 C ATOM 887 CG ASN A 58 11.603 -3.578 -5.240 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.521 -3.505 -4.431 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.492 -4.617 -6.056 1.00 0.00 N ATOM 0 H ASN A 58 8.808 -0.725 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 58 9.469 -3.277 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.777 -2.770 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.972 -1.555 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.177 -5.372 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.722 -4.662 -6.723 1.00 0.00 H new ATOM 896 N THR A 59 10.838 -2.595 -1.781 1.00 0.00 N ATOM 897 CA THR A 59 11.577 -2.345 -0.562 1.00 0.00 C ATOM 898 C THR A 59 13.084 -2.370 -0.794 1.00 0.00 C ATOM 899 O THR A 59 13.822 -1.570 -0.232 1.00 0.00 O ATOM 900 CB THR A 59 11.139 -3.425 0.432 1.00 0.00 C ATOM 901 OG1 THR A 59 9.745 -3.308 0.643 1.00 0.00 O ATOM 902 CG2 THR A 59 11.863 -3.296 1.763 1.00 0.00 C ATOM 0 H THR A 59 10.246 -3.422 -1.706 1.00 0.00 H new ATOM 0 HA THR A 59 11.363 -1.348 -0.177 1.00 0.00 H new ATOM 0 HB THR A 59 11.388 -4.400 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.266 -3.823 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.524 -4.081 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.937 -3.394 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.648 -2.321 2.201 1.00 0.00 H new ATOM 910 N ASP A 60 13.540 -3.303 -1.623 1.00 0.00 N ATOM 911 CA ASP A 60 14.950 -3.503 -1.914 1.00 0.00 C ATOM 912 C ASP A 60 15.501 -2.342 -2.755 1.00 0.00 C ATOM 913 O ASP A 60 16.616 -1.876 -2.534 1.00 0.00 O ATOM 914 CB ASP A 60 15.045 -4.864 -2.601 1.00 0.00 C ATOM 915 CG ASP A 60 16.422 -5.138 -3.185 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.648 -4.697 -4.332 1.00 0.00 O ATOM 917 OD2 ASP A 60 17.209 -5.806 -2.480 1.00 0.00 O ATOM 0 H ASP A 60 12.928 -3.951 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 60 15.568 -3.506 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.799 -5.646 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.302 -4.916 -3.396 1.00 0.00 H new ATOM 922 N GLU A 61 14.684 -1.854 -3.692 1.00 0.00 N ATOM 923 CA GLU A 61 14.985 -0.728 -4.568 1.00 0.00 C ATOM 924 C GLU A 61 14.762 0.607 -3.844 1.00 0.00 C ATOM 925 O GLU A 61 15.354 1.621 -4.202 1.00 0.00 O ATOM 926 CB GLU A 61 14.067 -0.836 -5.794 1.00 0.00 C ATOM 927 CG GLU A 61 14.230 0.285 -6.834 1.00 0.00 C ATOM 928 CD GLU A 61 15.629 0.342 -7.446 1.00 0.00 C ATOM 929 OE1 GLU A 61 16.198 -0.749 -7.669 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.098 1.474 -7.691 1.00 0.00 O ATOM 0 H GLU A 61 13.760 -2.250 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 61 16.032 -0.758 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.251 -1.793 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.032 -0.846 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.498 0.143 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.007 1.243 -6.364 1.00 0.00 H new ATOM 937 N SER A 62 13.869 0.636 -2.853 1.00 0.00 N ATOM 938 CA SER A 62 13.495 1.825 -2.109 1.00 0.00 C ATOM 939 C SER A 62 13.454 1.550 -0.602 1.00 0.00 C ATOM 940 O SER A 62 12.413 1.706 0.036 1.00 0.00 O ATOM 941 CB SER A 62 12.164 2.293 -2.666 1.00 0.00 C ATOM 942 OG SER A 62 12.396 2.789 -3.971 1.00 0.00 O ATOM 0 H SER A 62 13.374 -0.199 -2.541 1.00 0.00 H new ATOM 0 HA SER A 62 14.236 2.616 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.449 1.471 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.735 3.069 -2.032 1.00 0.00 H new ATOM 0 HG SER A 62 13.162 3.400 -3.957 1.00 0.00 H new ATOM 948 N PRO A 63 14.611 1.198 -0.030 1.00 0.00 N ATOM 949 CA PRO A 63 14.801 0.955 1.386 1.00 0.00 C ATOM 950 C PRO A 63 14.629 2.250 2.149 1.00 0.00 C ATOM 951 O PRO A 63 14.169 2.265 3.280 1.00 0.00 O ATOM 952 CB PRO A 63 16.238 0.465 1.514 1.00 0.00 C ATOM 953 CG PRO A 63 16.973 1.059 0.316 1.00 0.00 C ATOM 954 CD PRO A 63 15.871 1.060 -0.741 1.00 0.00 C ATOM 0 HA PRO A 63 14.085 0.236 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.684 0.795 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.285 -0.624 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.348 2.062 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.829 0.453 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.010 1.881 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.889 0.137 -1.320 1.00 0.00 H new ATOM 962 N ASN A 64 15.055 3.325 1.498 1.00 0.00 N ATOM 963 CA ASN A 64 15.010 4.708 1.969 1.00 0.00 C ATOM 964 C ASN A 64 13.724 4.968 2.761 1.00 0.00 C ATOM 965 O ASN A 64 13.746 5.117 3.983 1.00 0.00 O ATOM 966 CB ASN A 64 15.137 5.665 0.767 1.00 0.00 C ATOM 967 CG ASN A 64 16.485 5.547 0.055 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.430 4.976 0.587 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.595 6.048 -1.172 1.00 0.00 N ATOM 0 H ASN A 64 15.468 3.252 0.568 1.00 0.00 H new ATOM 0 HA ASN A 64 15.847 4.888 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.337 5.457 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.001 6.691 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.474 5.959 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.801 6.521 -1.603 1.00 0.00 H new ATOM 976 N VAL A 65 12.587 4.969 2.067 1.00 0.00 N ATOM 977 CA VAL A 65 11.292 5.220 2.677 1.00 0.00 C ATOM 978 C VAL A 65 10.981 4.168 3.738 1.00 0.00 C ATOM 979 O VAL A 65 10.535 4.504 4.833 1.00 0.00 O ATOM 980 CB VAL A 65 10.237 5.290 1.567 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.810 5.211 2.110 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.426 6.625 0.838 1.00 0.00 C ATOM 0 H VAL A 65 12.543 4.795 1.063 1.00 0.00 H new ATOM 0 HA VAL A 65 11.293 6.175 3.202 1.00 0.00 H new ATOM 0 HB VAL A 65 10.371 4.437 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.102 5.265 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.675 4.269 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.634 6.042 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.690 6.710 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.293 7.446 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.429 6.669 0.414 1.00 0.00 H new ATOM 992 N ALA A 66 11.218 2.897 3.420 1.00 0.00 N ATOM 993 CA ALA A 66 11.002 1.807 4.366 1.00 0.00 C ATOM 994 C ALA A 66 11.734 2.072 5.689 1.00 0.00 C ATOM 995 O ALA A 66 11.203 1.772 6.754 1.00 0.00 O ATOM 996 CB ALA A 66 11.432 0.477 3.741 1.00 0.00 C ATOM 0 H ALA A 66 11.562 2.597 2.508 1.00 0.00 H new ATOM 0 HA ALA A 66 9.938 1.747 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.267 -0.330 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.846 0.291 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.490 0.522 3.482 1.00 0.00 H new ATOM 1002 N SER A 67 12.929 2.662 5.630 1.00 0.00 N ATOM 1003 CA SER A 67 13.734 2.996 6.792 1.00 0.00 C ATOM 1004 C SER A 67 13.140 4.209 7.503 1.00 0.00 C ATOM 1005 O SER A 67 12.996 4.199 8.722 1.00 0.00 O ATOM 1006 CB SER A 67 15.183 3.258 6.366 1.00 0.00 C ATOM 1007 OG SER A 67 15.673 2.167 5.610 1.00 0.00 O ATOM 0 H SER A 67 13.369 2.925 4.748 1.00 0.00 H new ATOM 0 HA SER A 67 13.732 2.158 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.237 4.173 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.807 3.410 7.247 1.00 0.00 H new ATOM 0 HG SER A 67 15.216 2.138 4.744 1.00 0.00 H new ATOM 1013 N GLU A 68 12.791 5.246 6.737 1.00 0.00 N ATOM 1014 CA GLU A 68 12.182 6.464 7.268 1.00 0.00 C ATOM 1015 C GLU A 68 10.922 6.127 8.074 1.00 0.00 C ATOM 1016 O GLU A 68 10.722 6.657 9.163 1.00 0.00 O ATOM 1017 CB GLU A 68 11.829 7.416 6.117 1.00 0.00 C ATOM 1018 CG GLU A 68 13.070 7.985 5.415 1.00 0.00 C ATOM 1019 CD GLU A 68 12.725 8.531 4.031 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.735 9.291 3.950 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.442 8.166 3.074 1.00 0.00 O ATOM 0 H GLU A 68 12.925 5.262 5.726 1.00 0.00 H new ATOM 0 HA GLU A 68 12.898 6.952 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.216 6.886 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.226 8.238 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.502 8.779 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.827 7.206 5.322 1.00 0.00 H new ATOM 1028 N TYR A 69 10.070 5.254 7.529 1.00 0.00 N ATOM 1029 CA TYR A 69 8.835 4.839 8.183 1.00 0.00 C ATOM 1030 C TYR A 69 9.124 3.784 9.256 1.00 0.00 C ATOM 1031 O TYR A 69 8.436 3.742 10.272 1.00 0.00 O ATOM 1032 CB TYR A 69 7.843 4.330 7.130 1.00 0.00 C ATOM 1033 CG TYR A 69 7.045 5.454 6.493 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.676 6.341 5.602 1.00 0.00 C ATOM 1035 CD2 TYR A 69 5.755 5.755 6.973 1.00 0.00 C ATOM 1036 CE1 TYR A 69 7.035 7.527 5.206 1.00 0.00 C ATOM 1037 CE2 TYR A 69 5.114 6.943 6.576 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.762 7.836 5.709 1.00 0.00 C ATOM 1039 OH TYR A 69 5.163 9.017 5.389 1.00 0.00 O ATOM 0 H TYR A 69 10.221 4.817 6.620 1.00 0.00 H new ATOM 0 HA TYR A 69 8.384 5.693 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.386 3.790 6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.158 3.620 7.594 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.659 6.109 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.257 5.073 7.647 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.521 8.200 4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.122 7.168 6.939 1.00 0.00 H new ATOM 0 HH TYR A 69 4.285 9.067 5.822 1.00 0.00 H new ATOM 1049 N GLY A 70 10.127 2.931 9.038 1.00 0.00 N ATOM 1050 CA GLY A 70 10.562 1.933 10.004 1.00 0.00 C ATOM 1051 C GLY A 70 9.807 0.622 9.827 1.00 0.00 C ATOM 1052 O GLY A 70 9.234 0.090 10.777 1.00 0.00 O ATOM 0 H GLY A 70 10.665 2.918 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.632 1.757 9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.406 2.311 11.015 1.00 0.00 H new ATOM 1056 N ILE A 71 9.819 0.090 8.604 1.00 0.00 N ATOM 1057 CA ILE A 71 9.172 -1.171 8.272 1.00 0.00 C ATOM 1058 C ILE A 71 9.913 -2.308 8.982 1.00 0.00 C ATOM 1059 O ILE A 71 11.133 -2.416 8.883 1.00 0.00 O ATOM 1060 CB ILE A 71 9.176 -1.358 6.744 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.418 -0.224 6.029 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.574 -2.714 6.352 1.00 0.00 C ATOM 1063 CD1 ILE A 71 6.900 -0.230 6.224 1.00 0.00 C ATOM 0 H ILE A 71 10.284 0.531 7.811 1.00 0.00 H new ATOM 0 HA ILE A 71 8.135 -1.174 8.607 1.00 0.00 H new ATOM 0 HB ILE A 71 10.217 -1.328 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.809 0.731 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.631 -0.283 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.590 -2.819 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.159 -3.516 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.545 -2.772 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.460 0.607 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.488 -1.165 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.669 -0.136 7.285 1.00 0.00 H new ATOM 1075 N ARG A 72 9.181 -3.180 9.680 1.00 0.00 N ATOM 1076 CA ARG A 72 9.782 -4.272 10.438 1.00 0.00 C ATOM 1077 C ARG A 72 10.164 -5.429 9.513 1.00 0.00 C ATOM 1078 O ARG A 72 11.221 -6.034 9.673 1.00 0.00 O ATOM 1079 CB ARG A 72 8.790 -4.741 11.516 1.00 0.00 C ATOM 1080 CG ARG A 72 9.476 -5.469 12.683 1.00 0.00 C ATOM 1081 CD ARG A 72 10.295 -4.552 13.607 1.00 0.00 C ATOM 1082 NE ARG A 72 9.460 -3.525 14.254 1.00 0.00 N ATOM 1083 CZ ARG A 72 9.237 -2.278 13.808 1.00 0.00 C ATOM 1084 NH1 ARG A 72 9.827 -1.829 12.696 1.00 0.00 N ATOM 1085 NH2 ARG A 72 8.399 -1.484 14.481 1.00 0.00 N ATOM 0 H ARG A 72 8.163 -3.147 9.734 1.00 0.00 H new ATOM 0 HA ARG A 72 10.695 -3.918 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.246 -3.879 11.902 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.055 -5.405 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.716 -5.977 13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.133 -6.239 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.785 -5.154 14.372 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.082 -4.067 13.030 1.00 0.00 H new ATOM 0 HE ARG A 72 9.006 -3.787 15.129 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.457 -2.436 12.172 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.647 -0.879 12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.937 -1.827 15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.221 -0.535 14.153 1.00 0.00 H new ATOM 1099 N SER A 73 9.286 -5.758 8.567 1.00 0.00 N ATOM 1100 CA SER A 73 9.432 -6.807 7.569 1.00 0.00 C ATOM 1101 C SER A 73 8.346 -6.552 6.527 1.00 0.00 C ATOM 1102 O SER A 73 7.527 -5.653 6.717 1.00 0.00 O ATOM 1103 CB SER A 73 9.259 -8.195 8.208 1.00 0.00 C ATOM 1104 OG SER A 73 10.390 -8.554 8.976 1.00 0.00 O ATOM 0 H SER A 73 8.398 -5.265 8.474 1.00 0.00 H new ATOM 0 HA SER A 73 10.425 -6.791 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.372 -8.198 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.096 -8.939 7.428 1.00 0.00 H new ATOM 0 HG SER A 73 10.897 -7.748 9.208 1.00 0.00 H new ATOM 1110 N ILE A 74 8.331 -7.324 5.442 1.00 0.00 N ATOM 1111 CA ILE A 74 7.316 -7.228 4.404 1.00 0.00 C ATOM 1112 C ILE A 74 6.620 -8.587 4.315 1.00 0.00 C ATOM 1113 O ILE A 74 7.258 -9.594 4.621 1.00 0.00 O ATOM 1114 CB ILE A 74 7.945 -6.797 3.070 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.132 -7.674 2.646 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.374 -5.328 3.196 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.524 -7.380 1.196 1.00 0.00 C ATOM 0 H ILE A 74 9.033 -8.041 5.260 1.00 0.00 H new ATOM 0 HA ILE A 74 6.577 -6.464 4.645 1.00 0.00 H new ATOM 0 HB ILE A 74 7.197 -6.919 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.982 -7.489 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.870 -8.727 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.824 -4.999 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.502 -4.712 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.101 -5.229 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.367 -8.010 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.678 -7.588 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.807 -6.332 1.101 1.00 0.00 H new ATOM 1129 N PRO A 75 5.339 -8.658 3.923 1.00 0.00 N ATOM 1130 CA PRO A 75 4.479 -7.550 3.529 1.00 0.00 C ATOM 1131 C PRO A 75 4.046 -6.675 4.700 1.00 0.00 C ATOM 1132 O PRO A 75 3.810 -7.157 5.808 1.00 0.00 O ATOM 1133 CB PRO A 75 3.237 -8.183 2.912 1.00 0.00 C ATOM 1134 CG PRO A 75 3.165 -9.539 3.620 1.00 0.00 C ATOM 1135 CD PRO A 75 4.626 -9.917 3.838 1.00 0.00 C ATOM 0 HA PRO A 75 5.027 -6.901 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.345 -7.584 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.333 -8.294 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.625 -9.468 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.647 -10.280 3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.749 -10.501 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.001 -10.527 3.016 1.00 0.00 H new ATOM 1143 N THR A 76 3.937 -5.384 4.411 1.00 0.00 N ATOM 1144 CA THR A 76 3.432 -4.373 5.321 1.00 0.00 C ATOM 1145 C THR A 76 2.640 -3.403 4.456 1.00 0.00 C ATOM 1146 O THR A 76 3.202 -2.727 3.593 1.00 0.00 O ATOM 1147 CB THR A 76 4.557 -3.684 6.113 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.086 -4.572 7.076 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.028 -2.471 6.887 1.00 0.00 C ATOM 0 H THR A 76 4.208 -5.003 3.505 1.00 0.00 H new ATOM 0 HA THR A 76 2.799 -4.813 6.092 1.00 0.00 H new ATOM 0 HB THR A 76 5.312 -3.377 5.390 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.981 -4.859 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.846 -2.005 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.604 -1.750 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.258 -2.794 7.587 1.00 0.00 H new ATOM 1157 N ILE A 77 1.325 -3.399 4.648 1.00 0.00 N ATOM 1158 CA ILE A 77 0.398 -2.520 3.976 1.00 0.00 C ATOM 1159 C ILE A 77 0.321 -1.255 4.821 1.00 0.00 C ATOM 1160 O ILE A 77 0.289 -1.335 6.047 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.979 -3.208 3.855 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.003 -4.177 2.659 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.099 -2.171 3.674 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.233 -5.476 2.915 1.00 0.00 C ATOM 0 H ILE A 77 0.867 -4.034 5.302 1.00 0.00 H new ATOM 0 HA ILE A 77 0.721 -2.279 2.963 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.146 -3.763 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.038 -4.418 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.580 -3.678 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.058 -2.682 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.117 -1.502 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.917 -1.593 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.290 -6.113 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.811 -5.244 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.670 -5.996 3.767 1.00 0.00 H new ATOM 1176 N MET A 78 0.296 -0.088 4.184 1.00 0.00 N ATOM 1177 CA MET A 78 0.091 1.175 4.870 1.00 0.00 C ATOM 1178 C MET A 78 -0.995 1.924 4.124 1.00 0.00 C ATOM 1179 O MET A 78 -0.932 2.081 2.901 1.00 0.00 O ATOM 1180 CB MET A 78 1.371 1.994 4.935 1.00 0.00 C ATOM 1181 CG MET A 78 2.361 1.438 5.961 1.00 0.00 C ATOM 1182 SD MET A 78 3.780 2.512 6.294 1.00 0.00 S ATOM 1183 CE MET A 78 4.418 1.712 7.780 1.00 0.00 C ATOM 0 H MET A 78 0.418 0.004 3.176 1.00 0.00 H new ATOM 0 HA MET A 78 -0.207 0.993 5.902 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.840 2.010 3.951 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.128 3.026 5.189 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.832 1.256 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.726 0.473 5.609 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.402 2.117 8.017 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.739 1.896 8.613 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.499 0.639 7.609 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.000 2.362 4.880 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.127 3.080 4.343 1.00 0.00 C ATOM 1195 C VAL A 79 -2.842 4.563 4.507 1.00 0.00 C ATOM 1196 O VAL A 79 -3.072 5.137 5.574 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.425 2.682 5.063 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.610 3.381 4.379 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.634 1.162 5.070 1.00 0.00 C ATOM 0 H VAL A 79 -2.044 2.221 5.889 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.266 2.837 3.290 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.353 2.999 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.536 3.104 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.476 4.461 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.660 3.074 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.563 0.925 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.688 0.797 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.800 0.682 5.582 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.346 5.179 3.441 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.122 6.604 3.410 1.00 0.00 C ATOM 1211 C PHE A 80 -3.481 7.227 3.150 1.00 0.00 C ATOM 1212 O PHE A 80 -4.200 6.821 2.237 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.089 6.956 2.351 1.00 0.00 C ATOM 1214 CG PHE A 80 0.313 6.655 2.834 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.793 5.333 2.812 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.064 7.664 3.465 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.057 5.040 3.352 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.324 7.365 4.013 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.815 6.048 3.965 1.00 0.00 C ATOM 0 H PHE A 80 -2.091 4.698 2.579 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.712 6.986 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.292 6.393 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.170 8.013 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.192 4.546 2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.672 8.669 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.446 4.034 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.914 8.146 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.775 5.813 4.400 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.857 8.147 4.028 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.131 8.820 4.019 1.00 0.00 C ATOM 1231 C LYS A 81 -4.903 10.187 3.383 1.00 0.00 C ATOM 1232 O LYS A 81 -4.188 10.303 2.387 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.613 8.845 5.490 1.00 0.00 C ATOM 1234 CG LYS A 81 -7.111 9.055 5.769 1.00 0.00 C ATOM 1235 CD LYS A 81 -8.025 8.347 4.770 1.00 0.00 C ATOM 1236 CE LYS A 81 -7.858 6.819 4.752 1.00 0.00 C ATOM 1237 NZ LYS A 81 -8.570 6.179 5.873 1.00 0.00 N ATOM 0 H LYS A 81 -3.253 8.450 4.792 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.914 8.337 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.319 7.902 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.066 9.635 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.338 8.697 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.329 10.123 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.062 8.587 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.827 8.737 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.234 6.423 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.798 6.568 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.201 5.217 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.426 6.736 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.586 6.132 5.657 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.496 11.226 3.958 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.316 12.594 3.529 1.00 0.00 C ATOM 1253 C GLY A 82 -3.893 13.034 3.881 1.00 0.00 C ATOM 1254 O GLY A 82 -3.668 13.705 4.887 1.00 0.00 O ATOM 0 H GLY A 82 -6.128 11.131 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.483 12.679 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.044 13.242 4.017 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.915 12.606 3.080 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.506 12.913 3.277 1.00 0.00 C ATOM 1260 C GLY A 83 -0.895 12.002 4.336 1.00 0.00 C ATOM 1261 O GLY A 83 0.010 11.218 4.055 1.00 0.00 O ATOM 0 H GLY A 83 -3.089 12.024 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.969 12.795 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.395 13.954 3.579 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.398 12.119 5.562 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.941 11.329 6.696 1.00 0.00 C ATOM 1267 C LYS A 84 -1.578 9.938 6.638 1.00 0.00 C ATOM 1268 O LYS A 84 -2.496 9.703 5.855 1.00 0.00 O ATOM 1269 CB LYS A 84 -1.291 12.067 7.994 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.730 13.500 8.021 1.00 0.00 C ATOM 1271 CD LYS A 84 0.798 13.592 7.882 1.00 0.00 C ATOM 1272 CE LYS A 84 1.537 12.833 8.991 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.991 13.064 8.919 1.00 0.00 N ATOM 0 H LYS A 84 -2.144 12.774 5.796 1.00 0.00 H new ATOM 0 HA LYS A 84 0.141 11.199 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.374 12.101 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.898 11.509 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.190 14.071 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.026 13.974 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.096 13.192 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.099 14.640 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.163 13.152 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.331 11.766 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.464 12.538 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.349 12.737 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.187 14.080 9.026 1.00 0.00 H new ATOM 1287 N LYS A 85 -1.087 9.000 7.451 1.00 0.00 N ATOM 1288 CA LYS A 85 -1.590 7.634 7.444 1.00 0.00 C ATOM 1289 C LYS A 85 -2.787 7.440 8.367 1.00 0.00 C ATOM 1290 O LYS A 85 -2.889 8.076 9.413 1.00 0.00 O ATOM 1291 CB LYS A 85 -0.508 6.659 7.906 1.00 0.00 C ATOM 1292 CG LYS A 85 0.711 6.603 6.983 1.00 0.00 C ATOM 1293 CD LYS A 85 1.509 5.319 7.252 1.00 0.00 C ATOM 1294 CE LYS A 85 1.814 5.083 8.735 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.560 6.205 9.331 1.00 0.00 N ATOM 0 H LYS A 85 -0.339 9.167 8.123 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.892 7.439 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.181 6.942 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.940 5.661 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.391 6.632 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.343 7.476 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.950 4.467 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.448 5.363 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.880 4.939 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.391 4.165 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.775 5.990 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.447 6.349 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.985 7.070 9.281 1.00 0.00 H new ATOM 1309 N CYS A 86 -3.658 6.509 7.976 1.00 0.00 N ATOM 1310 CA CYS A 86 -4.763 6.027 8.788 1.00 0.00 C ATOM 1311 C CYS A 86 -4.311 4.796 9.567 1.00 0.00 C ATOM 1312 O CYS A 86 -4.416 4.751 10.790 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.925 5.637 7.884 1.00 0.00 C ATOM 1314 SG CYS A 86 -7.240 4.945 8.906 1.00 0.00 S ATOM 0 H CYS A 86 -3.608 6.061 7.061 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.078 6.812 9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.288 6.508 7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.599 4.908 7.142 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.713 3.875 8.339 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.811 3.801 8.827 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.381 2.511 9.356 1.00 0.00 C ATOM 1322 C GLU A 87 -2.063 2.030 8.747 1.00 0.00 C ATOM 1323 O GLU A 87 -1.636 2.489 7.689 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.462 1.458 9.049 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.671 1.526 9.989 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.406 0.938 11.376 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -4.228 0.633 11.665 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.401 0.780 12.118 1.00 0.00 O ATOM 0 H GLU A 87 -3.693 3.877 7.817 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.230 2.638 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.803 1.589 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.018 0.465 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.977 2.566 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.506 0.994 9.532 1.00 0.00 H new ATOM 1335 N THR A 88 -1.468 1.051 9.432 1.00 0.00 N ATOM 1336 CA THR A 88 -0.285 0.288 9.069 1.00 0.00 C ATOM 1337 C THR A 88 -0.649 -1.139 9.479 1.00 0.00 C ATOM 1338 O THR A 88 -1.164 -1.323 10.580 1.00 0.00 O ATOM 1339 CB THR A 88 0.968 0.850 9.767 1.00 0.00 C ATOM 1340 OG1 THR A 88 2.092 0.059 9.438 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.845 0.907 11.295 1.00 0.00 C ATOM 0 H THR A 88 -1.839 0.750 10.333 1.00 0.00 H new ATOM 0 HA THR A 88 -0.025 0.336 8.011 1.00 0.00 H new ATOM 0 HB THR A 88 1.081 1.873 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.851 0.318 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.763 1.313 11.719 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.006 1.546 11.569 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.678 -0.097 11.684 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.503 -2.124 8.594 1.00 0.00 N ATOM 1350 CA ILE A 89 -0.943 -3.489 8.839 1.00 0.00 C ATOM 1351 C ILE A 89 0.112 -4.432 8.272 1.00 0.00 C ATOM 1352 O ILE A 89 0.596 -4.207 7.167 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.306 -3.739 8.146 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.286 -2.555 8.289 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.944 -5.007 8.736 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.604 -2.777 7.539 1.00 0.00 C ATOM 0 H ILE A 89 -0.071 -1.992 7.679 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.067 -3.660 9.908 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.110 -3.858 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.498 -2.391 9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.810 -1.649 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.904 -5.190 8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.285 -5.858 8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.096 -4.873 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.251 -1.911 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.400 -2.912 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.099 -3.666 7.929 1.00 0.00 H new ATOM 1368 N ILE A 90 0.461 -5.497 8.994 1.00 0.00 N ATOM 1369 CA ILE A 90 1.376 -6.500 8.468 1.00 0.00 C ATOM 1370 C ILE A 90 0.520 -7.357 7.532 1.00 0.00 C ATOM 1371 O ILE A 90 -0.651 -7.592 7.826 1.00 0.00 O ATOM 1372 CB ILE A 90 1.999 -7.317 9.617 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.818 -6.375 10.522 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.899 -8.430 9.055 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.422 -7.078 11.742 1.00 0.00 C ATOM 0 H ILE A 90 0.124 -5.683 9.939 1.00 0.00 H new ATOM 0 HA ILE A 90 2.222 -6.067 7.933 1.00 0.00 H new ATOM 0 HB ILE A 90 1.205 -7.782 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.620 -5.927 9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.177 -5.561 10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.332 -8.998 9.878 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.306 -9.095 8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.698 -7.987 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.985 -6.358 12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.623 -7.503 12.350 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.088 -7.874 11.410 1.00 0.00 H new ATOM 1387 N GLY A 91 1.062 -7.759 6.379 1.00 0.00 N ATOM 1388 CA GLY A 91 0.309 -8.563 5.429 1.00 0.00 C ATOM 1389 C GLY A 91 0.216 -10.011 5.907 1.00 0.00 C ATOM 1390 O GLY A 91 -0.048 -10.264 7.079 1.00 0.00 O ATOM 0 H GLY A 91 2.014 -7.539 6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.692 -8.149 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.790 -8.527 4.452 1.00 0.00 H new ATOM 1394 N ALA A 92 0.387 -10.981 5.003 1.00 0.00 N ATOM 1395 CA ALA A 92 0.279 -12.419 5.268 1.00 0.00 C ATOM 1396 C ALA A 92 -1.169 -12.858 5.544 1.00 0.00 C ATOM 1397 O ALA A 92 -1.549 -13.965 5.172 1.00 0.00 O ATOM 1398 CB ALA A 92 1.227 -12.857 6.393 1.00 0.00 C ATOM 0 H ALA A 92 0.613 -10.778 4.029 1.00 0.00 H new ATOM 0 HA ALA A 92 0.591 -12.930 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.120 -13.928 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.256 -12.635 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.979 -12.319 7.308 1.00 0.00 H new ATOM 1404 N VAL A 93 -1.996 -11.988 6.128 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.405 -12.255 6.364 1.00 0.00 C ATOM 1406 C VAL A 93 -4.116 -12.077 5.017 1.00 0.00 C ATOM 1407 O VAL A 93 -3.640 -11.298 4.187 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.966 -11.291 7.429 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.278 -11.526 8.780 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.841 -9.808 7.046 1.00 0.00 C ATOM 0 H VAL A 93 -1.696 -11.069 6.452 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.560 -13.264 6.746 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.031 -11.514 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.685 -10.838 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.453 -12.552 9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.206 -11.355 8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.256 -9.190 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.790 -9.557 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.388 -9.624 6.121 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.215 -12.801 4.745 1.00 0.00 N ATOM 1421 CA PRO A 94 -5.888 -12.685 3.465 1.00 0.00 C ATOM 1422 C PRO A 94 -6.295 -11.238 3.208 1.00 0.00 C ATOM 1423 O PRO A 94 -6.699 -10.532 4.133 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.117 -13.590 3.528 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.798 -14.565 4.663 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.893 -13.764 5.600 1.00 0.00 C ATOM 0 HA PRO A 94 -5.231 -12.984 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.023 -13.020 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.277 -14.113 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.704 -14.896 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.296 -15.459 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.473 -13.263 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.178 -14.412 6.107 1.00 0.00 H new ATOM 1434 N LYS A 95 -6.240 -10.818 1.946 1.00 0.00 N ATOM 1435 CA LYS A 95 -6.557 -9.462 1.543 1.00 0.00 C ATOM 1436 C LYS A 95 -7.964 -9.088 2.010 1.00 0.00 C ATOM 1437 O LYS A 95 -8.193 -7.936 2.346 1.00 0.00 O ATOM 1438 CB LYS A 95 -6.383 -9.320 0.025 1.00 0.00 C ATOM 1439 CG LYS A 95 -6.376 -7.857 -0.450 1.00 0.00 C ATOM 1440 CD LYS A 95 -5.135 -7.080 0.013 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.161 -5.661 -0.562 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.030 -4.861 -0.063 1.00 0.00 N ATOM 0 H LYS A 95 -5.970 -11.422 1.170 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.869 -8.762 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.449 -9.797 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.189 -9.855 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.426 -7.834 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.270 -7.356 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.106 -7.040 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.231 -7.596 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.125 -5.707 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.099 -5.175 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.706 -4.214 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.333 -4.309 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.251 -5.494 0.209 1.00 0.00 H new ATOM 1456 N ALA A 96 -8.897 -10.043 2.088 1.00 0.00 N ATOM 1457 CA ALA A 96 -10.242 -9.801 2.607 1.00 0.00 C ATOM 1458 C ALA A 96 -10.189 -9.143 3.996 1.00 0.00 C ATOM 1459 O ALA A 96 -11.012 -8.285 4.326 1.00 0.00 O ATOM 1460 CB ALA A 96 -10.999 -11.129 2.680 1.00 0.00 C ATOM 0 H ALA A 96 -8.738 -11.006 1.792 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.761 -9.118 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.003 -10.955 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.065 -11.566 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.469 -11.814 3.342 1.00 0.00 H new ATOM 1466 N THR A 97 -9.228 -9.556 4.824 1.00 0.00 N ATOM 1467 CA THR A 97 -9.007 -9.019 6.159 1.00 0.00 C ATOM 1468 C THR A 97 -8.670 -7.530 6.030 1.00 0.00 C ATOM 1469 O THR A 97 -9.266 -6.668 6.681 1.00 0.00 O ATOM 1470 CB THR A 97 -7.868 -9.819 6.833 1.00 0.00 C ATOM 1471 OG1 THR A 97 -7.952 -11.176 6.453 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.953 -9.752 8.357 1.00 0.00 C ATOM 0 H THR A 97 -8.567 -10.292 4.574 1.00 0.00 H new ATOM 0 HA THR A 97 -9.895 -9.114 6.783 1.00 0.00 H new ATOM 0 HB THR A 97 -6.926 -9.376 6.509 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.412 -11.325 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.135 -10.326 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.879 -8.714 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.905 -10.168 8.687 1.00 0.00 H new ATOM 1480 N ILE A 98 -7.722 -7.235 5.141 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.253 -5.890 4.851 1.00 0.00 C ATOM 1482 C ILE A 98 -8.402 -5.051 4.277 1.00 0.00 C ATOM 1483 O ILE A 98 -8.577 -3.909 4.691 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.012 -5.995 3.941 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -4.829 -6.512 4.784 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -5.666 -4.624 3.341 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -3.694 -7.091 3.934 1.00 0.00 C ATOM 0 H ILE A 98 -7.248 -7.950 4.589 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.938 -5.364 5.752 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.219 -6.682 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.440 -5.695 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.188 -7.278 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.788 -4.718 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.508 -4.262 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.456 -3.918 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.892 -7.438 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.071 -7.928 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.311 -6.320 3.265 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.203 -5.603 3.361 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.354 -4.933 2.772 1.00 0.00 C ATOM 1501 C VAL A 99 -11.302 -4.504 3.891 1.00 0.00 C ATOM 1502 O VAL A 99 -11.628 -3.327 3.999 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.041 -5.857 1.752 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.422 -5.341 1.328 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.176 -5.966 0.492 1.00 0.00 C ATOM 0 H VAL A 99 -9.062 -6.548 3.004 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.038 -4.041 2.231 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.165 -6.824 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.863 -6.030 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.068 -5.269 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.318 -4.357 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.665 -6.621 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.046 -4.977 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.201 -6.378 0.754 1.00 0.00 H new ATOM 1515 N GLN A 100 -11.730 -5.437 4.743 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.617 -5.097 5.850 1.00 0.00 C ATOM 1517 C GLN A 100 -11.998 -3.985 6.705 1.00 0.00 C ATOM 1518 O GLN A 100 -12.651 -2.985 7.009 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.880 -6.354 6.684 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.831 -7.293 5.934 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.817 -8.688 6.540 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.726 -9.079 7.264 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.772 -9.452 6.241 1.00 0.00 N ATOM 0 H GLN A 100 -11.478 -6.424 4.687 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.566 -4.726 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.940 -6.865 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.312 -6.078 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.843 -6.890 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.541 -7.346 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.034 -9.093 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.707 -10.398 6.617 1.00 0.00 H new ATOM 1532 N THR A 101 -10.723 -4.152 7.064 1.00 0.00 N ATOM 1533 CA THR A 101 -10.025 -3.187 7.901 1.00 0.00 C ATOM 1534 C THR A 101 -9.984 -1.799 7.250 1.00 0.00 C ATOM 1535 O THR A 101 -10.216 -0.806 7.930 1.00 0.00 O ATOM 1536 CB THR A 101 -8.608 -3.691 8.222 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.674 -4.986 8.784 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.918 -2.780 9.243 1.00 0.00 C ATOM 0 H THR A 101 -10.155 -4.952 6.784 1.00 0.00 H new ATOM 0 HA THR A 101 -10.578 -3.086 8.835 1.00 0.00 H new ATOM 0 HB THR A 101 -8.043 -3.697 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.789 -5.647 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.918 -3.160 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.846 -1.770 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.499 -2.761 10.165 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.678 -1.699 5.953 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.554 -0.406 5.291 1.00 0.00 C ATOM 1548 C VAL A 102 -10.927 0.221 5.075 1.00 0.00 C ATOM 1549 O VAL A 102 -11.112 1.404 5.350 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.740 -0.553 3.993 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.503 -1.029 2.757 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.055 0.769 3.640 1.00 0.00 C ATOM 0 H VAL A 102 -9.512 -2.501 5.344 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.003 0.283 5.931 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.031 -1.345 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.820 -1.092 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.932 -2.012 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.301 -0.323 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.483 0.648 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.809 1.543 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.384 1.058 4.449 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.887 -0.580 4.608 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.261 -0.159 4.359 1.00 0.00 C ATOM 1564 C GLU A 103 -13.804 0.644 5.542 1.00 0.00 C ATOM 1565 O GLU A 103 -14.369 1.720 5.356 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.139 -1.385 4.092 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.034 -1.846 2.631 1.00 0.00 C ATOM 1568 CD GLU A 103 -14.882 -3.086 2.361 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.002 -3.921 3.284 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.392 -3.183 1.223 1.00 0.00 O ATOM 0 H GLU A 103 -11.723 -1.562 4.388 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.277 0.485 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.841 -2.198 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.177 -1.148 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.353 -1.038 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.992 -2.060 2.392 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.599 0.123 6.753 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.979 0.767 8.007 1.00 0.00 C ATOM 1579 C LYS A 104 -13.607 2.258 8.019 1.00 0.00 C ATOM 1580 O LYS A 104 -14.361 3.082 8.533 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.242 0.041 9.141 1.00 0.00 C ATOM 1582 CG LYS A 104 -13.541 0.573 10.549 1.00 0.00 C ATOM 1583 CD LYS A 104 -12.481 0.020 11.508 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.638 0.615 12.911 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.527 0.210 13.790 1.00 0.00 N ATOM 0 H LYS A 104 -13.152 -0.783 6.890 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.060 0.705 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.502 -1.017 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.169 0.112 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.526 1.663 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.538 0.266 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.564 -1.066 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.486 0.246 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.675 1.702 12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.584 0.289 13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.703 0.557 14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.455 -0.827 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.637 0.614 13.434 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.433 2.597 7.479 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.874 3.941 7.483 1.00 0.00 C ATOM 1601 C TYR A 105 -12.043 4.670 6.145 1.00 0.00 C ATOM 1602 O TYR A 105 -11.439 5.724 5.954 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.387 3.812 7.822 1.00 0.00 C ATOM 1604 CG TYR A 105 -10.093 3.116 9.134 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -10.481 3.709 10.348 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.365 1.913 9.145 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -10.110 3.121 11.569 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -9.026 1.308 10.366 1.00 0.00 C ATOM 1609 CZ TYR A 105 -9.353 1.939 11.576 1.00 0.00 C ATOM 1610 OH TYR A 105 -8.963 1.388 12.760 1.00 0.00 O ATOM 0 H TYR A 105 -11.831 1.918 7.014 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.411 4.540 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.892 3.267 7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.947 4.809 7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.065 4.618 10.342 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.066 1.454 8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.407 3.578 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.514 0.357 10.374 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.023 1.118 12.701 1.00 0.00 H new