USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 934 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 46 TYR OH : rot 117:sc= 0.734 USER MOD Set 1.2: A 88 ASN : amide:sc= -4.5! C(o=-3.8!,f=-3.4!) USER MOD Set 2.1: A 45 ASN : amide:sc= -0.158 K(o=0.4,f=-0.58) USER MOD Set 2.2: A 79 SER OG : rot -90:sc= 0.562 USER MOD Set 3.1: A 1 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 1 LYS N :NH3+ 139:sc= -0.131 (180deg=-1.03) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.0707 (180deg=-0.534) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.0497 (180deg=-0.684) USER MOD Single : A 13 GLN : amide:sc= -4.09! C(o=-4.1!,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 93:sc= 1.11 USER MOD Single : A 29 GLN : amide:sc= -0.0914 K(o=-0.091,f=-2.2!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.9!) USER MOD Single : A 39 CYS SG : rot -80:sc= -6.57! USER MOD Single : A 44 ASN : amide:sc= -0.644 K(o=-0.64,f=0.035) USER MOD Single : A 48 ASN : amide:sc= -3.51 K(o=-3.5,f=-1.1) USER MOD Single : A 53 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.5! K(o=-1.5!,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= -0.118 (180deg=-0.842) USER MOD Single : A 76 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.911 (180deg=0.627) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.77! K(o=-3.8!,f=-0.65) USER MOD Single : A 86 SER OG : rot 62:sc= 0.572 USER MOD Single : A 89 ASN : amide:sc= -4.92! C(o=-4.9!,f=-4.4!) USER MOD Single : A 92 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.0028) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.742 K(o=-0.74,f=-3.5!) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -1.45 (180deg=-2.09!) USER MOD Single : A 104 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.028) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.0534 (180deg=-0.401) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.503 10.637 1.202 1.00 0.00 N ATOM 2 CA LYS A 1 -1.902 9.229 0.923 1.00 0.00 C ATOM 3 C LYS A 1 -3.206 9.220 0.121 1.00 0.00 C ATOM 4 O LYS A 1 -3.514 10.156 -0.588 1.00 0.00 O ATOM 5 CB LYS A 1 -2.104 8.485 2.245 1.00 0.00 C ATOM 6 CG LYS A 1 -3.219 9.159 3.049 1.00 0.00 C ATOM 7 CD LYS A 1 -3.245 8.586 4.468 1.00 0.00 C ATOM 8 CE LYS A 1 -4.297 9.324 5.296 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.401 8.692 6.642 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.148 10.711 2.177 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.755 10.924 0.539 1.00 0.00 H new ATOM 0 H3 LYS A 1 -2.327 11.261 1.085 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.120 8.734 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.360 7.443 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.177 8.485 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.056 10.236 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.181 8.997 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.473 7.520 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.264 8.689 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.026 10.375 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.262 9.291 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.152 9.160 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.629 7.683 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.495 8.791 7.143 1.00 0.00 H new ATOM 25 N VAL A 2 -3.974 8.167 0.223 1.00 0.00 N ATOM 26 CA VAL A 2 -5.255 8.099 -0.536 1.00 0.00 C ATOM 27 C VAL A 2 -6.300 8.984 0.150 1.00 0.00 C ATOM 28 O VAL A 2 -6.109 9.440 1.259 1.00 0.00 O ATOM 29 CB VAL A 2 -5.740 6.645 -0.580 1.00 0.00 C ATOM 30 CG1 VAL A 2 -6.973 6.524 -1.490 1.00 0.00 C ATOM 31 CG2 VAL A 2 -4.613 5.760 -1.124 1.00 0.00 C ATOM 0 H VAL A 2 -3.768 7.351 0.800 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.102 8.455 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.013 6.325 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.308 5.487 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.773 7.155 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.713 6.844 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.949 4.724 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.345 6.089 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.743 5.838 -0.472 1.00 0.00 H new ATOM 41 N LYS A 3 -7.399 9.240 -0.506 1.00 0.00 N ATOM 42 CA LYS A 3 -8.449 10.105 0.100 1.00 0.00 C ATOM 43 C LYS A 3 -8.865 9.556 1.468 1.00 0.00 C ATOM 44 O LYS A 3 -8.908 10.278 2.445 1.00 0.00 O ATOM 45 CB LYS A 3 -9.667 10.148 -0.825 1.00 0.00 C ATOM 46 CG LYS A 3 -9.300 10.878 -2.118 1.00 0.00 C ATOM 47 CD LYS A 3 -10.480 10.822 -3.090 1.00 0.00 C ATOM 48 CE LYS A 3 -10.038 11.335 -4.462 1.00 0.00 C ATOM 49 NZ LYS A 3 -9.079 10.367 -5.068 1.00 0.00 N ATOM 0 H LYS A 3 -7.615 8.886 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.049 11.110 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.003 9.135 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.495 10.656 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.042 11.915 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.421 10.419 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.847 9.799 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.304 11.427 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.904 11.461 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.569 12.314 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.088 10.471 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.121 10.557 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.358 9.398 -4.815 1.00 0.00 H new ATOM 63 N PHE A 4 -9.178 8.288 1.553 1.00 0.00 N ATOM 64 CA PHE A 4 -9.597 7.711 2.868 1.00 0.00 C ATOM 65 C PHE A 4 -8.367 7.411 3.725 1.00 0.00 C ATOM 66 O PHE A 4 -7.260 7.307 3.234 1.00 0.00 O ATOM 67 CB PHE A 4 -10.404 6.428 2.665 1.00 0.00 C ATOM 68 CG PHE A 4 -9.695 5.494 1.716 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.769 4.564 2.206 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.976 5.550 0.348 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.123 3.691 1.321 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.332 4.679 -0.534 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.407 3.751 -0.051 1.00 0.00 C ATOM 0 H PHE A 4 -9.162 7.630 0.774 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.225 8.443 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.556 5.933 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.391 6.672 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.554 4.520 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.691 6.267 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.408 2.973 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.550 4.723 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.910 3.079 -0.735 1.00 0.00 H new ATOM 83 N THR A 5 -8.561 7.274 5.013 1.00 0.00 N ATOM 84 CA THR A 5 -7.421 6.986 5.934 1.00 0.00 C ATOM 85 C THR A 5 -7.278 5.483 6.122 1.00 0.00 C ATOM 86 O THR A 5 -8.185 4.713 5.864 1.00 0.00 O ATOM 87 CB THR A 5 -7.659 7.636 7.294 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.698 7.150 8.220 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.061 7.296 7.789 1.00 0.00 C ATOM 0 H THR A 5 -9.470 7.350 5.469 1.00 0.00 H new ATOM 0 HA THR A 5 -6.510 7.393 5.495 1.00 0.00 H new ATOM 0 HB THR A 5 -7.564 8.718 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.847 7.567 9.095 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.227 7.762 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.798 7.668 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.161 6.215 7.883 1.00 0.00 H new ATOM 97 N GLU A 6 -6.137 5.068 6.572 1.00 0.00 N ATOM 98 CA GLU A 6 -5.893 3.614 6.791 1.00 0.00 C ATOM 99 C GLU A 6 -7.068 3.000 7.561 1.00 0.00 C ATOM 100 O GLU A 6 -7.479 1.893 7.290 1.00 0.00 O ATOM 101 CB GLU A 6 -4.603 3.429 7.593 1.00 0.00 C ATOM 102 CG GLU A 6 -4.719 4.160 8.934 1.00 0.00 C ATOM 103 CD GLU A 6 -3.349 4.206 9.615 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.375 3.852 8.971 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.298 4.594 10.771 1.00 0.00 O ATOM 0 H GLU A 6 -5.351 5.676 6.802 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.797 3.116 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.417 2.368 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.754 3.816 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.092 5.172 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.438 3.651 9.576 1.00 0.00 H new ATOM 112 N GLU A 7 -7.614 3.712 8.515 1.00 0.00 N ATOM 113 CA GLU A 7 -8.763 3.164 9.300 1.00 0.00 C ATOM 114 C GLU A 7 -9.831 2.621 8.344 1.00 0.00 C ATOM 115 O GLU A 7 -10.431 1.586 8.582 1.00 0.00 O ATOM 116 CB GLU A 7 -9.373 4.266 10.177 1.00 0.00 C ATOM 117 CG GLU A 7 -8.267 5.014 10.927 1.00 0.00 C ATOM 118 CD GLU A 7 -7.431 4.022 11.738 1.00 0.00 C ATOM 119 OE1 GLU A 7 -7.998 3.058 12.226 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.237 4.243 11.859 1.00 0.00 O ATOM 0 H GLU A 7 -7.314 4.649 8.784 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.403 2.357 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.939 4.963 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.074 3.829 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.631 5.547 10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.705 5.762 11.589 1.00 0.00 H new ATOM 127 N GLU A 8 -10.071 3.294 7.254 1.00 0.00 N ATOM 128 CA GLU A 8 -11.088 2.785 6.300 1.00 0.00 C ATOM 129 C GLU A 8 -10.534 1.526 5.648 1.00 0.00 C ATOM 130 O GLU A 8 -11.222 0.539 5.498 1.00 0.00 O ATOM 131 CB GLU A 8 -11.384 3.832 5.230 1.00 0.00 C ATOM 132 CG GLU A 8 -11.760 5.183 5.894 1.00 0.00 C ATOM 133 CD GLU A 8 -12.733 5.966 5.001 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.805 5.450 4.732 1.00 0.00 O ATOM 135 OE2 GLU A 8 -12.388 7.067 4.606 1.00 0.00 O ATOM 0 H GLU A 8 -9.612 4.164 6.986 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.016 2.566 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.513 3.964 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.200 3.491 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.215 5.003 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.860 5.773 6.067 1.00 0.00 H new ATOM 142 N ASP A 9 -9.277 1.554 5.274 1.00 0.00 N ATOM 143 CA ASP A 9 -8.647 0.350 4.641 1.00 0.00 C ATOM 144 C ASP A 9 -9.012 -0.895 5.461 1.00 0.00 C ATOM 145 O ASP A 9 -9.116 -1.996 4.948 1.00 0.00 O ATOM 146 CB ASP A 9 -7.123 0.528 4.624 1.00 0.00 C ATOM 147 CG ASP A 9 -6.496 -0.493 3.674 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.444 -1.658 4.036 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.078 -0.092 2.603 1.00 0.00 O ATOM 0 H ASP A 9 -8.659 2.359 5.379 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.009 0.233 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.869 1.539 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.721 0.399 5.629 1.00 0.00 H new ATOM 154 N LEU A 10 -9.239 -0.718 6.732 1.00 0.00 N ATOM 155 CA LEU A 10 -9.633 -1.870 7.589 1.00 0.00 C ATOM 156 C LEU A 10 -11.103 -2.166 7.289 1.00 0.00 C ATOM 157 O LEU A 10 -11.522 -3.306 7.173 1.00 0.00 O ATOM 158 CB LEU A 10 -9.448 -1.509 9.079 1.00 0.00 C ATOM 159 CG LEU A 10 -8.241 -0.581 9.247 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.027 -0.283 10.731 1.00 0.00 C ATOM 161 CD2 LEU A 10 -6.987 -1.244 8.667 1.00 0.00 C ATOM 0 H LEU A 10 -9.168 0.177 7.216 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.014 -2.743 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.347 -1.023 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.304 -2.416 9.666 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.429 0.351 8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.168 0.377 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.915 0.201 11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.845 -1.215 11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.133 -0.578 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.795 -2.180 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.139 -1.446 7.607 1.00 0.00 H new ATOM 173 N LYS A 11 -11.882 -1.131 7.126 1.00 0.00 N ATOM 174 CA LYS A 11 -13.314 -1.331 6.798 1.00 0.00 C ATOM 175 C LYS A 11 -13.383 -2.078 5.470 1.00 0.00 C ATOM 176 O LYS A 11 -14.208 -2.944 5.277 1.00 0.00 O ATOM 177 CB LYS A 11 -14.017 0.026 6.664 1.00 0.00 C ATOM 178 CG LYS A 11 -13.824 0.860 7.941 1.00 0.00 C ATOM 179 CD LYS A 11 -14.709 0.322 9.077 1.00 0.00 C ATOM 180 CE LYS A 11 -14.738 1.334 10.225 1.00 0.00 C ATOM 181 NZ LYS A 11 -13.359 1.842 10.475 1.00 0.00 N ATOM 0 H LYS A 11 -11.585 -0.159 7.207 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.809 -1.898 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.617 0.566 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.080 -0.125 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.777 0.834 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.072 1.903 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.720 0.142 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.324 -0.634 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.403 2.162 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.134 0.866 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.302 2.232 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.678 1.062 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.133 2.587 9.786 1.00 0.00 H new ATOM 195 N LEU A 12 -12.505 -1.759 4.556 1.00 0.00 N ATOM 196 CA LEU A 12 -12.506 -2.464 3.248 1.00 0.00 C ATOM 197 C LEU A 12 -12.396 -3.966 3.507 1.00 0.00 C ATOM 198 O LEU A 12 -13.126 -4.754 2.956 1.00 0.00 O ATOM 199 CB LEU A 12 -11.302 -1.992 2.407 1.00 0.00 C ATOM 200 CG LEU A 12 -11.671 -0.764 1.565 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.081 0.392 2.480 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.455 -0.353 0.724 1.00 0.00 C ATOM 0 H LEU A 12 -11.789 -1.040 4.662 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.425 -2.246 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.467 -1.750 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.970 -2.799 1.754 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.508 -1.008 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.342 1.260 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.943 0.095 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.251 0.646 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.707 0.520 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.622 -0.110 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.171 -1.176 0.069 1.00 0.00 H new ATOM 214 N GLN A 13 -11.490 -4.376 4.347 1.00 0.00 N ATOM 215 CA GLN A 13 -11.360 -5.836 4.610 1.00 0.00 C ATOM 216 C GLN A 13 -12.730 -6.407 5.003 1.00 0.00 C ATOM 217 O GLN A 13 -13.078 -7.512 4.640 1.00 0.00 O ATOM 218 CB GLN A 13 -10.365 -6.057 5.759 1.00 0.00 C ATOM 219 CG GLN A 13 -10.139 -7.564 5.992 1.00 0.00 C ATOM 220 CD GLN A 13 -11.291 -8.152 6.812 1.00 0.00 C ATOM 221 OE1 GLN A 13 -11.516 -7.755 7.939 1.00 0.00 O ATOM 222 NE2 GLN A 13 -12.037 -9.088 6.291 1.00 0.00 N ATOM 0 H GLN A 13 -10.842 -3.775 4.857 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.000 -6.340 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.417 -5.572 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.744 -5.594 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.064 -8.080 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.195 -7.721 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.850 -9.422 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.807 -9.485 6.829 1.00 0.00 H new ATOM 231 N GLN A 14 -13.512 -5.665 5.738 1.00 0.00 N ATOM 232 CA GLN A 14 -14.858 -6.182 6.154 1.00 0.00 C ATOM 233 C GLN A 14 -15.899 -6.006 5.042 1.00 0.00 C ATOM 234 O GLN A 14 -16.552 -6.945 4.636 1.00 0.00 O ATOM 235 CB GLN A 14 -15.339 -5.418 7.376 1.00 0.00 C ATOM 236 CG GLN A 14 -14.274 -5.473 8.474 1.00 0.00 C ATOM 237 CD GLN A 14 -14.806 -4.794 9.737 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.949 -4.383 9.784 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.022 -4.658 10.770 1.00 0.00 N ATOM 0 H GLN A 14 -13.284 -4.728 6.070 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.749 -7.244 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.547 -4.382 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.273 -5.847 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.011 -6.509 8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.364 -4.976 8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.063 -5.003 10.731 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.368 -4.207 11.617 1.00 0.00 H new ATOM 248 N LEU A 15 -16.087 -4.809 4.564 1.00 0.00 N ATOM 249 CA LEU A 15 -17.108 -4.590 3.503 1.00 0.00 C ATOM 250 C LEU A 15 -16.737 -5.431 2.285 1.00 0.00 C ATOM 251 O LEU A 15 -17.532 -6.196 1.777 1.00 0.00 O ATOM 252 CB LEU A 15 -17.143 -3.096 3.125 1.00 0.00 C ATOM 253 CG LEU A 15 -18.037 -2.321 4.102 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.541 -2.525 5.535 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.991 -0.831 3.758 1.00 0.00 C ATOM 0 H LEU A 15 -15.580 -3.975 4.861 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.094 -4.885 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.133 -2.686 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.518 -2.980 2.108 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.060 -2.687 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.180 -1.972 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.572 -3.586 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.517 -2.163 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.625 -0.278 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.965 -0.471 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.349 -0.681 2.739 1.00 0.00 H new ATOM 267 N VAL A 16 -15.531 -5.298 1.824 1.00 0.00 N ATOM 268 CA VAL A 16 -15.096 -6.085 0.646 1.00 0.00 C ATOM 269 C VAL A 16 -15.282 -7.570 0.951 1.00 0.00 C ATOM 270 O VAL A 16 -15.604 -8.349 0.078 1.00 0.00 O ATOM 271 CB VAL A 16 -13.624 -5.792 0.332 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.246 -6.450 -0.998 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.399 -4.271 0.220 1.00 0.00 C ATOM 0 H VAL A 16 -14.824 -4.675 2.215 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.695 -5.810 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.005 -6.191 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.200 -6.242 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.395 -7.527 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.874 -6.049 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.350 -4.074 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.022 -3.869 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.665 -3.793 1.163 1.00 0.00 H new ATOM 283 N MET A 17 -15.101 -7.978 2.182 1.00 0.00 N ATOM 284 CA MET A 17 -15.297 -9.411 2.496 1.00 0.00 C ATOM 285 C MET A 17 -16.778 -9.742 2.275 1.00 0.00 C ATOM 286 O MET A 17 -17.129 -10.845 1.908 1.00 0.00 O ATOM 287 CB MET A 17 -14.881 -9.681 3.949 1.00 0.00 C ATOM 288 CG MET A 17 -15.394 -11.048 4.405 1.00 0.00 C ATOM 289 SD MET A 17 -14.552 -11.531 5.933 1.00 0.00 S ATOM 290 CE MET A 17 -15.037 -13.273 5.918 1.00 0.00 C ATOM 0 H MET A 17 -14.830 -7.386 2.967 1.00 0.00 H new ATOM 0 HA MET A 17 -14.683 -10.040 1.852 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.795 -9.646 4.036 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.278 -8.901 4.599 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.471 -11.008 4.568 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.216 -11.792 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.618 -13.775 6.790 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.124 -13.348 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.662 -13.747 5.011 1.00 0.00 H new ATOM 300 N ARG A 18 -17.647 -8.786 2.486 1.00 0.00 N ATOM 301 CA ARG A 18 -19.101 -9.040 2.277 1.00 0.00 C ATOM 302 C ARG A 18 -19.418 -8.995 0.778 1.00 0.00 C ATOM 303 O ARG A 18 -20.361 -9.608 0.318 1.00 0.00 O ATOM 304 CB ARG A 18 -19.914 -7.965 3.001 1.00 0.00 C ATOM 305 CG ARG A 18 -21.405 -8.284 2.880 1.00 0.00 C ATOM 306 CD ARG A 18 -22.209 -7.304 3.735 1.00 0.00 C ATOM 307 NE ARG A 18 -21.781 -7.419 5.158 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.440 -6.789 6.091 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.475 -6.057 5.781 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.063 -6.890 7.337 1.00 0.00 N ATOM 0 H ARG A 18 -17.411 -7.843 2.794 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.359 -10.022 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.625 -7.921 4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.705 -6.985 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.719 -8.216 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.596 -9.307 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.057 -6.285 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.274 -7.517 3.646 1.00 0.00 H new ATOM 0 HE ARG A 18 -20.972 -7.991 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.770 -5.977 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.989 -5.565 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.254 -7.461 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -22.578 -6.398 8.067 1.00 0.00 H new ATOM 324 N TYR A 19 -18.639 -8.268 0.009 1.00 0.00 N ATOM 325 CA TYR A 19 -18.889 -8.173 -1.466 1.00 0.00 C ATOM 326 C TYR A 19 -17.964 -9.141 -2.205 1.00 0.00 C ATOM 327 O TYR A 19 -18.102 -9.364 -3.392 1.00 0.00 O ATOM 328 CB TYR A 19 -18.600 -6.744 -1.930 1.00 0.00 C ATOM 329 CG TYR A 19 -19.560 -5.797 -1.241 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.928 -5.860 -1.535 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.093 -4.868 -0.298 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.824 -5.002 -0.889 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.991 -4.009 0.344 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.357 -4.077 0.050 1.00 0.00 C ATOM 335 OH TYR A 19 -22.243 -3.231 0.686 1.00 0.00 O ATOM 0 H TYR A 19 -17.837 -7.734 0.342 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.927 -8.430 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.571 -6.473 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.710 -6.670 -3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.291 -6.572 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.039 -4.816 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.879 -5.054 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.630 -3.293 1.067 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.754 -2.653 1.308 1.00 0.00 H new ATOM 345 N GLY A 20 -17.019 -9.716 -1.511 1.00 0.00 N ATOM 346 CA GLY A 20 -16.070 -10.673 -2.157 1.00 0.00 C ATOM 347 C GLY A 20 -14.824 -9.914 -2.606 1.00 0.00 C ATOM 348 O GLY A 20 -13.772 -10.047 -2.018 1.00 0.00 O ATOM 0 H GLY A 20 -16.861 -9.563 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.797 -11.463 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.545 -11.155 -3.012 1.00 0.00 H new ATOM 352 N ALA A 21 -14.957 -9.114 -3.641 1.00 0.00 N ATOM 353 CA ALA A 21 -13.806 -8.304 -4.180 1.00 0.00 C ATOM 354 C ALA A 21 -14.075 -7.971 -5.659 1.00 0.00 C ATOM 355 O ALA A 21 -13.184 -8.010 -6.484 1.00 0.00 O ATOM 356 CB ALA A 21 -12.479 -9.091 -4.057 1.00 0.00 C ATOM 0 H ALA A 21 -15.833 -8.984 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.716 -7.385 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.661 -8.489 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.288 -9.320 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.552 -10.019 -4.624 1.00 0.00 H new ATOM 362 N LYS A 22 -15.297 -7.649 -6.012 1.00 0.00 N ATOM 363 CA LYS A 22 -15.595 -7.326 -7.449 1.00 0.00 C ATOM 364 C LYS A 22 -16.749 -6.317 -7.573 1.00 0.00 C ATOM 365 O LYS A 22 -16.977 -5.775 -8.637 1.00 0.00 O ATOM 366 CB LYS A 22 -15.981 -8.612 -8.183 1.00 0.00 C ATOM 367 CG LYS A 22 -14.788 -9.577 -8.217 1.00 0.00 C ATOM 368 CD LYS A 22 -15.054 -10.702 -9.227 1.00 0.00 C ATOM 369 CE LYS A 22 -16.254 -11.543 -8.776 1.00 0.00 C ATOM 370 NZ LYS A 22 -16.258 -12.834 -9.520 1.00 0.00 N ATOM 0 H LYS A 22 -16.094 -7.595 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.702 -6.883 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.827 -9.085 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.299 -8.379 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.881 -9.038 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.622 -9.998 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.247 -10.278 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.171 -11.334 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.200 -11.728 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.182 -11.001 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.071 -13.407 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.328 -12.646 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.377 -13.351 -9.323 1.00 0.00 H new ATOM 384 N ASP A 23 -17.473 -6.042 -6.511 1.00 0.00 N ATOM 385 CA ASP A 23 -18.599 -5.052 -6.593 1.00 0.00 C ATOM 386 C ASP A 23 -18.102 -3.717 -6.048 1.00 0.00 C ATOM 387 O ASP A 23 -18.741 -3.079 -5.235 1.00 0.00 O ATOM 388 CB ASP A 23 -19.787 -5.552 -5.756 1.00 0.00 C ATOM 389 CG ASP A 23 -19.955 -7.058 -5.960 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.057 -7.473 -7.103 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.981 -7.771 -4.971 1.00 0.00 O ATOM 0 H ASP A 23 -17.333 -6.460 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.926 -4.934 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.620 -5.333 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.698 -5.030 -6.050 1.00 0.00 H new ATOM 396 N TRP A 24 -16.954 -3.301 -6.494 1.00 0.00 N ATOM 397 CA TRP A 24 -16.377 -2.015 -6.019 1.00 0.00 C ATOM 398 C TRP A 24 -17.266 -0.854 -6.458 1.00 0.00 C ATOM 399 O TRP A 24 -17.137 0.255 -5.977 1.00 0.00 O ATOM 400 CB TRP A 24 -14.978 -1.859 -6.608 1.00 0.00 C ATOM 401 CG TRP A 24 -14.153 -3.018 -6.173 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.943 -4.147 -6.888 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.440 -3.182 -4.926 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.138 -4.996 -6.150 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.801 -4.441 -4.929 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.289 -2.360 -3.805 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.035 -4.869 -3.845 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.522 -2.782 -2.717 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.895 -4.032 -2.733 1.00 0.00 C ATOM 0 H TRP A 24 -16.383 -3.802 -7.175 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.318 -2.013 -4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.027 -1.816 -7.696 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.527 -0.925 -6.272 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.338 -4.352 -7.872 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.831 -5.916 -6.467 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.769 -1.393 -3.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.555 -5.836 -3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.412 -2.138 -1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.303 -4.351 -1.888 1.00 0.00 H new ATOM 420 N ILE A 25 -18.178 -1.100 -7.354 1.00 0.00 N ATOM 421 CA ILE A 25 -19.085 -0.015 -7.804 1.00 0.00 C ATOM 422 C ILE A 25 -20.067 0.283 -6.675 1.00 0.00 C ATOM 423 O ILE A 25 -20.482 1.404 -6.471 1.00 0.00 O ATOM 424 CB ILE A 25 -19.850 -0.460 -9.061 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.332 -1.905 -8.893 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.929 -0.376 -10.282 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.305 -2.252 -10.022 1.00 0.00 C ATOM 0 H ILE A 25 -18.333 -2.007 -7.794 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.511 0.879 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.709 0.196 -9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.482 -2.587 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.821 -2.027 -7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.474 -0.692 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.589 0.651 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.068 -1.028 -10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.648 -3.280 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.160 -1.577 -9.986 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.800 -2.147 -10.982 1.00 0.00 H new ATOM 439 N ARG A 26 -20.434 -0.724 -5.933 1.00 0.00 N ATOM 440 CA ARG A 26 -21.384 -0.522 -4.814 1.00 0.00 C ATOM 441 C ARG A 26 -20.624 0.061 -3.633 1.00 0.00 C ATOM 442 O ARG A 26 -21.026 1.039 -3.039 1.00 0.00 O ATOM 443 CB ARG A 26 -21.994 -1.875 -4.426 1.00 0.00 C ATOM 444 CG ARG A 26 -22.835 -1.756 -3.143 1.00 0.00 C ATOM 445 CD ARG A 26 -23.851 -0.614 -3.278 1.00 0.00 C ATOM 446 NE ARG A 26 -24.425 -0.620 -4.654 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.074 0.423 -5.098 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.219 1.473 -4.337 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.576 0.416 -6.302 1.00 0.00 N ATOM 0 H ARG A 26 -20.112 -1.684 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.182 0.160 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.618 -2.243 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.200 -2.606 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.355 -2.695 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.184 -1.574 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -24.645 -0.730 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.368 0.342 -3.078 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.311 -1.440 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.826 1.479 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.726 2.288 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.462 -0.404 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.083 1.231 -6.648 1.00 0.00 H new ATOM 463 N ILE A 27 -19.522 -0.534 -3.287 1.00 0.00 N ATOM 464 CA ILE A 27 -18.735 -0.015 -2.146 1.00 0.00 C ATOM 465 C ILE A 27 -18.399 1.452 -2.396 1.00 0.00 C ATOM 466 O ILE A 27 -18.321 2.252 -1.482 1.00 0.00 O ATOM 467 CB ILE A 27 -17.441 -0.814 -2.011 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.783 -2.295 -1.827 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.661 -0.305 -0.797 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.506 -3.139 -1.892 1.00 0.00 C ATOM 0 H ILE A 27 -19.134 -1.358 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.316 -0.110 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.832 -0.693 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.280 -2.446 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.480 -2.615 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.736 -0.872 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.427 0.751 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.264 -0.431 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.758 -4.191 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.027 -2.999 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.823 -2.828 -1.101 1.00 0.00 H new ATOM 482 N SER A 28 -18.199 1.813 -3.633 1.00 0.00 N ATOM 483 CA SER A 28 -17.866 3.229 -3.943 1.00 0.00 C ATOM 484 C SER A 28 -19.118 4.090 -3.799 1.00 0.00 C ATOM 485 O SER A 28 -19.046 5.255 -3.462 1.00 0.00 O ATOM 486 CB SER A 28 -17.333 3.328 -5.370 1.00 0.00 C ATOM 487 OG SER A 28 -16.074 2.674 -5.445 1.00 0.00 O ATOM 0 H SER A 28 -18.252 1.190 -4.439 1.00 0.00 H new ATOM 0 HA SER A 28 -17.103 3.584 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.036 2.870 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.231 4.373 -5.661 1.00 0.00 H new ATOM 0 HG SER A 28 -16.205 1.742 -5.718 1.00 0.00 H new ATOM 493 N GLN A 29 -20.271 3.529 -4.044 1.00 0.00 N ATOM 494 CA GLN A 29 -21.522 4.333 -3.910 1.00 0.00 C ATOM 495 C GLN A 29 -21.687 4.754 -2.448 1.00 0.00 C ATOM 496 O GLN A 29 -22.127 5.847 -2.153 1.00 0.00 O ATOM 497 CB GLN A 29 -22.731 3.495 -4.360 1.00 0.00 C ATOM 498 CG GLN A 29 -22.795 3.449 -5.899 1.00 0.00 C ATOM 499 CD GLN A 29 -23.414 4.743 -6.437 1.00 0.00 C ATOM 500 OE1 GLN A 29 -23.651 5.673 -5.691 1.00 0.00 O ATOM 501 NE2 GLN A 29 -23.686 4.842 -7.709 1.00 0.00 N ATOM 0 H GLN A 29 -20.402 2.558 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.461 5.221 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.652 2.484 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.650 3.924 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.794 3.317 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.386 2.592 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.487 4.062 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.097 5.700 -8.077 1.00 0.00 H new ATOM 510 N LEU A 30 -21.325 3.901 -1.528 1.00 0.00 N ATOM 511 CA LEU A 30 -21.450 4.268 -0.091 1.00 0.00 C ATOM 512 C LEU A 30 -20.480 5.413 0.206 1.00 0.00 C ATOM 513 O LEU A 30 -20.838 6.400 0.818 1.00 0.00 O ATOM 514 CB LEU A 30 -21.107 3.057 0.787 1.00 0.00 C ATOM 515 CG LEU A 30 -21.774 1.797 0.225 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.502 0.622 1.166 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.288 2.018 0.100 1.00 0.00 C ATOM 0 H LEU A 30 -20.950 2.970 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.472 4.580 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.026 2.920 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.443 3.231 1.809 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.365 1.580 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.974 -0.277 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.427 0.462 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.911 0.843 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.755 1.118 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.706 2.238 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.479 2.855 -0.571 1.00 0.00 H new ATOM 529 N MET A 31 -19.250 5.281 -0.234 1.00 0.00 N ATOM 530 CA MET A 31 -18.219 6.348 0.000 1.00 0.00 C ATOM 531 C MET A 31 -17.769 6.922 -1.345 1.00 0.00 C ATOM 532 O MET A 31 -16.625 6.802 -1.727 1.00 0.00 O ATOM 533 CB MET A 31 -17.012 5.733 0.712 1.00 0.00 C ATOM 534 CG MET A 31 -17.431 5.241 2.097 1.00 0.00 C ATOM 535 SD MET A 31 -16.004 4.505 2.934 1.00 0.00 S ATOM 536 CE MET A 31 -16.925 3.605 4.206 1.00 0.00 C ATOM 0 H MET A 31 -18.911 4.470 -0.752 1.00 0.00 H new ATOM 0 HA MET A 31 -18.646 7.142 0.613 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.614 4.905 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.215 6.471 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.823 6.070 2.686 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.232 4.507 2.007 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.228 3.068 4.849 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.501 4.310 4.805 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.601 2.894 3.731 1.00 0.00 H new ATOM 546 N ILE A 32 -18.658 7.551 -2.066 1.00 0.00 N ATOM 547 CA ILE A 32 -18.279 8.137 -3.388 1.00 0.00 C ATOM 548 C ILE A 32 -17.004 8.974 -3.242 1.00 0.00 C ATOM 549 O ILE A 32 -16.379 9.351 -4.213 1.00 0.00 O ATOM 550 CB ILE A 32 -19.416 9.031 -3.882 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.826 9.986 -2.758 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.615 8.166 -4.277 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.885 10.959 -3.273 1.00 0.00 C ATOM 0 H ILE A 32 -19.633 7.685 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.099 7.333 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.083 9.602 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.217 9.421 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.956 10.536 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.425 8.805 -4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.323 7.480 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.953 7.596 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.176 11.638 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.478 11.533 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.758 10.401 -3.610 1.00 0.00 H new ATOM 565 N THR A 33 -16.621 9.270 -2.033 1.00 0.00 N ATOM 566 CA THR A 33 -15.394 10.088 -1.809 1.00 0.00 C ATOM 567 C THR A 33 -14.179 9.393 -2.437 1.00 0.00 C ATOM 568 O THR A 33 -13.079 9.906 -2.402 1.00 0.00 O ATOM 569 CB THR A 33 -15.173 10.256 -0.300 1.00 0.00 C ATOM 570 OG1 THR A 33 -16.370 10.736 0.296 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.036 11.251 -0.031 1.00 0.00 C ATOM 0 H THR A 33 -17.107 8.980 -1.184 1.00 0.00 H new ATOM 0 HA THR A 33 -15.518 11.066 -2.274 1.00 0.00 H new ATOM 0 HB THR A 33 -14.902 9.291 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.235 10.844 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.893 11.358 1.044 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.116 10.883 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.291 12.220 -0.461 1.00 0.00 H new ATOM 579 N ARG A 34 -14.362 8.232 -3.015 1.00 0.00 N ATOM 580 CA ARG A 34 -13.208 7.511 -3.646 1.00 0.00 C ATOM 581 C ARG A 34 -13.711 6.734 -4.860 1.00 0.00 C ATOM 582 O ARG A 34 -14.882 6.426 -4.965 1.00 0.00 O ATOM 583 CB ARG A 34 -12.604 6.539 -2.623 1.00 0.00 C ATOM 584 CG ARG A 34 -13.626 5.429 -2.266 1.00 0.00 C ATOM 585 CD ARG A 34 -13.488 5.032 -0.789 1.00 0.00 C ATOM 586 NE ARG A 34 -14.361 3.858 -0.501 1.00 0.00 N ATOM 587 CZ ARG A 34 -14.376 3.334 0.695 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.623 3.834 1.638 1.00 0.00 N ATOM 589 NH2 ARG A 34 -15.144 2.310 0.948 1.00 0.00 N ATOM 0 H ARG A 34 -15.259 7.751 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.447 8.225 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.697 6.091 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.316 7.081 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.639 5.781 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.463 4.558 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.450 4.789 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.766 5.870 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.946 3.464 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.023 4.635 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.636 3.424 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.732 1.919 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.156 1.900 1.882 1.00 0.00 H new ATOM 603 N ASN A 35 -12.842 6.424 -5.792 1.00 0.00 N ATOM 604 CA ASN A 35 -13.280 5.677 -7.014 1.00 0.00 C ATOM 605 C ASN A 35 -13.091 4.165 -6.811 1.00 0.00 C ATOM 606 O ASN A 35 -12.193 3.747 -6.108 1.00 0.00 O ATOM 607 CB ASN A 35 -12.445 6.142 -8.212 1.00 0.00 C ATOM 608 CG ASN A 35 -12.366 7.669 -8.218 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.261 8.333 -8.703 1.00 0.00 O ATOM 610 ND2 ASN A 35 -11.326 8.259 -7.695 1.00 0.00 N ATOM 0 H ASN A 35 -11.849 6.656 -5.760 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.336 5.876 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.443 5.716 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.893 5.787 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.264 9.277 -7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.575 7.702 -7.288 1.00 0.00 H new ATOM 617 N PRO A 36 -13.908 3.337 -7.431 1.00 0.00 N ATOM 618 CA PRO A 36 -13.775 1.858 -7.302 1.00 0.00 C ATOM 619 C PRO A 36 -12.310 1.417 -7.387 1.00 0.00 C ATOM 620 O PRO A 36 -11.861 0.544 -6.671 1.00 0.00 O ATOM 621 CB PRO A 36 -14.566 1.330 -8.507 1.00 0.00 C ATOM 622 CG PRO A 36 -15.639 2.346 -8.734 1.00 0.00 C ATOM 623 CD PRO A 36 -15.043 3.700 -8.314 1.00 0.00 C ATOM 0 HA PRO A 36 -14.138 1.486 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.928 1.226 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.989 0.347 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.944 2.363 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.527 2.112 -8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.708 4.273 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.776 4.313 -7.789 1.00 0.00 H new ATOM 631 N ARG A 37 -11.574 2.021 -8.274 1.00 0.00 N ATOM 632 CA ARG A 37 -10.142 1.662 -8.447 1.00 0.00 C ATOM 633 C ARG A 37 -9.341 2.060 -7.206 1.00 0.00 C ATOM 634 O ARG A 37 -8.307 1.492 -6.926 1.00 0.00 O ATOM 635 CB ARG A 37 -9.581 2.397 -9.666 1.00 0.00 C ATOM 636 CG ARG A 37 -10.278 1.898 -10.932 1.00 0.00 C ATOM 637 CD ARG A 37 -9.657 2.571 -12.156 1.00 0.00 C ATOM 638 NE ARG A 37 -10.219 1.966 -13.396 1.00 0.00 N ATOM 639 CZ ARG A 37 -9.660 2.205 -14.552 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.608 2.973 -14.622 1.00 0.00 N ATOM 641 NH2 ARG A 37 -10.154 1.674 -15.637 1.00 0.00 N ATOM 0 H ARG A 37 -11.909 2.758 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.062 0.584 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.730 3.471 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.506 2.231 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.180 0.815 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.344 2.119 -10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.860 3.642 -12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.574 2.451 -12.139 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.041 1.365 -13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.222 3.387 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.172 3.159 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.976 1.073 -15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.718 1.860 -16.540 1.00 0.00 H new ATOM 655 N GLN A 38 -9.788 3.049 -6.475 1.00 0.00 N ATOM 656 CA GLN A 38 -9.022 3.494 -5.273 1.00 0.00 C ATOM 657 C GLN A 38 -9.131 2.474 -4.140 1.00 0.00 C ATOM 658 O GLN A 38 -8.170 2.227 -3.438 1.00 0.00 O ATOM 659 CB GLN A 38 -9.560 4.842 -4.798 1.00 0.00 C ATOM 660 CG GLN A 38 -9.247 5.923 -5.841 1.00 0.00 C ATOM 661 CD GLN A 38 -7.758 6.276 -5.792 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.014 5.718 -5.008 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.289 7.184 -6.602 1.00 0.00 N ATOM 0 H GLN A 38 -10.648 3.566 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.972 3.587 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.636 4.779 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.111 5.106 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.513 5.568 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.847 6.812 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.913 7.652 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.298 7.426 -6.578 1.00 0.00 H new ATOM 672 N CYS A 39 -10.275 1.875 -3.928 1.00 0.00 N ATOM 673 CA CYS A 39 -10.368 0.880 -2.819 1.00 0.00 C ATOM 674 C CYS A 39 -9.881 -0.475 -3.326 1.00 0.00 C ATOM 675 O CYS A 39 -9.416 -1.305 -2.570 1.00 0.00 O ATOM 676 CB CYS A 39 -11.810 0.756 -2.361 1.00 0.00 C ATOM 677 SG CYS A 39 -12.394 2.357 -1.775 1.00 0.00 S ATOM 0 H CYS A 39 -11.131 2.027 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.752 1.208 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.435 0.408 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.888 0.015 -1.565 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.969 2.557 -0.563 1.00 0.00 H new ATOM 683 N ARG A 40 -9.980 -0.700 -4.605 1.00 0.00 N ATOM 684 CA ARG A 40 -9.519 -1.999 -5.171 1.00 0.00 C ATOM 685 C ARG A 40 -8.011 -2.130 -4.956 1.00 0.00 C ATOM 686 O ARG A 40 -7.524 -3.155 -4.522 1.00 0.00 O ATOM 687 CB ARG A 40 -9.838 -2.029 -6.670 1.00 0.00 C ATOM 688 CG ARG A 40 -9.189 -3.247 -7.355 1.00 0.00 C ATOM 689 CD ARG A 40 -9.552 -4.538 -6.613 1.00 0.00 C ATOM 690 NE ARG A 40 -9.290 -5.707 -7.501 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.078 -5.947 -8.513 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.096 -5.166 -8.748 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.848 -6.970 -9.290 1.00 0.00 N ATOM 0 H ARG A 40 -10.360 -0.041 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.026 -2.828 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.918 -2.061 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.481 -1.112 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.523 -3.310 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.106 -3.125 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.965 -4.623 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.601 -4.519 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.495 -6.319 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.277 -4.367 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.711 -5.354 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.053 -7.581 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.464 -7.158 -10.081 1.00 0.00 H new ATOM 707 N GLU A 41 -7.262 -1.104 -5.261 1.00 0.00 N ATOM 708 CA GLU A 41 -5.789 -1.196 -5.074 1.00 0.00 C ATOM 709 C GLU A 41 -5.491 -1.589 -3.628 1.00 0.00 C ATOM 710 O GLU A 41 -4.499 -2.232 -3.350 1.00 0.00 O ATOM 711 CB GLU A 41 -5.117 0.144 -5.396 1.00 0.00 C ATOM 712 CG GLU A 41 -5.835 1.279 -4.666 1.00 0.00 C ATOM 713 CD GLU A 41 -4.981 2.550 -4.720 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.907 3.144 -5.783 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.419 2.906 -3.698 1.00 0.00 O ATOM 0 H GLU A 41 -7.604 -0.216 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.392 -1.951 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.069 0.115 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.138 0.322 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.806 1.462 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.020 0.998 -3.629 1.00 0.00 H new ATOM 722 N ARG A 42 -6.338 -1.224 -2.700 1.00 0.00 N ATOM 723 CA ARG A 42 -6.060 -1.615 -1.285 1.00 0.00 C ATOM 724 C ARG A 42 -6.184 -3.134 -1.151 1.00 0.00 C ATOM 725 O ARG A 42 -5.383 -3.775 -0.500 1.00 0.00 O ATOM 726 CB ARG A 42 -7.053 -0.942 -0.337 1.00 0.00 C ATOM 727 CG ARG A 42 -6.959 0.590 -0.441 1.00 0.00 C ATOM 728 CD ARG A 42 -5.513 1.072 -0.215 1.00 0.00 C ATOM 729 NE ARG A 42 -5.526 2.485 0.261 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.452 3.008 0.788 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.361 2.297 0.889 1.00 0.00 N ATOM 732 NH2 ARG A 42 -4.468 4.240 1.215 1.00 0.00 N ATOM 0 H ARG A 42 -7.190 -0.685 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.052 -1.295 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.066 -1.265 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.852 -1.254 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.304 0.913 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.618 1.049 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.017 0.435 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.944 0.995 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.375 3.044 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.348 1.333 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.522 2.706 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.320 4.796 1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.629 4.648 1.627 1.00 0.00 H new ATOM 746 N TRP A 43 -7.181 -3.714 -1.761 1.00 0.00 N ATOM 747 CA TRP A 43 -7.367 -5.197 -1.676 1.00 0.00 C ATOM 748 C TRP A 43 -6.038 -5.914 -1.890 1.00 0.00 C ATOM 749 O TRP A 43 -5.594 -6.647 -1.041 1.00 0.00 O ATOM 750 CB TRP A 43 -8.335 -5.617 -2.788 1.00 0.00 C ATOM 751 CG TRP A 43 -8.633 -7.084 -2.711 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.307 -7.991 -3.662 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.321 -7.825 -1.661 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.750 -9.239 -3.261 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.377 -9.190 -2.034 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.892 -7.452 -0.433 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.978 -10.148 -1.216 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.499 -8.413 0.392 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.541 -9.758 0.001 1.00 0.00 C ATOM 0 H TRP A 43 -7.881 -3.224 -2.319 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.755 -5.460 -0.692 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.261 -5.049 -2.703 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.903 -5.380 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.786 -7.776 -4.583 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.628 -10.092 -3.807 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.864 -6.418 -0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.007 -11.183 -1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.936 -8.114 1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.008 -10.492 0.640 1.00 0.00 H new ATOM 770 N ASN A 44 -5.397 -5.698 -3.001 1.00 0.00 N ATOM 771 CA ASN A 44 -4.099 -6.392 -3.265 1.00 0.00 C ATOM 772 C ASN A 44 -2.948 -5.740 -2.495 1.00 0.00 C ATOM 773 O ASN A 44 -2.088 -6.419 -1.968 1.00 0.00 O ATOM 774 CB ASN A 44 -3.795 -6.330 -4.763 1.00 0.00 C ATOM 775 CG ASN A 44 -5.026 -6.781 -5.551 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.160 -7.943 -5.880 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.938 -5.904 -5.872 1.00 0.00 N ATOM 0 H ASN A 44 -5.712 -5.071 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.191 -7.426 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.520 -5.314 -5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.944 -6.969 -4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.762 -6.194 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.827 -4.928 -5.596 1.00 0.00 H new ATOM 784 N ASN A 45 -2.893 -4.437 -2.450 1.00 0.00 N ATOM 785 CA ASN A 45 -1.760 -3.764 -1.743 1.00 0.00 C ATOM 786 C ASN A 45 -2.027 -3.650 -0.240 1.00 0.00 C ATOM 787 O ASN A 45 -1.355 -2.906 0.447 1.00 0.00 O ATOM 788 CB ASN A 45 -1.568 -2.362 -2.325 1.00 0.00 C ATOM 789 CG ASN A 45 -1.267 -2.466 -3.822 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.286 -3.064 -4.215 1.00 0.00 O ATOM 791 ND2 ASN A 45 -2.076 -1.903 -4.677 1.00 0.00 N ATOM 0 H ASN A 45 -3.579 -3.809 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.862 -4.366 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.465 -1.764 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.751 -1.853 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.885 -1.965 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.900 -1.401 -4.345 1.00 0.00 H new ATOM 798 N TYR A 46 -2.980 -4.376 0.294 1.00 0.00 N ATOM 799 CA TYR A 46 -3.240 -4.283 1.771 1.00 0.00 C ATOM 800 C TYR A 46 -3.715 -5.643 2.307 1.00 0.00 C ATOM 801 O TYR A 46 -3.089 -6.209 3.182 1.00 0.00 O ATOM 802 CB TYR A 46 -4.283 -3.172 2.047 1.00 0.00 C ATOM 803 CG TYR A 46 -3.897 -2.387 3.296 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.771 -3.050 4.523 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.666 -1.004 3.225 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.419 -2.337 5.674 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.312 -0.293 4.377 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.191 -0.959 5.603 1.00 0.00 C ATOM 809 OH TYR A 46 -2.845 -0.255 6.738 1.00 0.00 O ATOM 0 H TYR A 46 -3.583 -5.021 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.318 -4.022 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.345 -2.500 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.271 -3.614 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.946 -4.114 4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.762 -0.489 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.323 -2.851 6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.132 0.770 4.321 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.949 0.127 6.626 1.00 0.00 H new ATOM 819 N ILE A 47 -4.803 -6.180 1.800 1.00 0.00 N ATOM 820 CA ILE A 47 -5.287 -7.513 2.304 1.00 0.00 C ATOM 821 C ILE A 47 -5.899 -8.349 1.159 1.00 0.00 C ATOM 822 O ILE A 47 -6.852 -7.969 0.509 1.00 0.00 O ATOM 823 CB ILE A 47 -6.295 -7.329 3.482 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.738 -7.044 3.013 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.846 -6.169 4.379 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.799 -5.749 2.200 1.00 0.00 C ATOM 0 H ILE A 47 -5.373 -5.759 1.066 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.428 -8.064 2.688 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.299 -8.274 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.100 -7.876 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.398 -6.968 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.555 -6.047 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.857 -6.384 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.807 -5.250 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.825 -5.568 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.459 -4.916 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.156 -5.839 1.324 1.00 0.00 H new ATOM 838 N ASN A 48 -5.329 -9.504 0.930 1.00 0.00 N ATOM 839 CA ASN A 48 -5.822 -10.436 -0.132 1.00 0.00 C ATOM 840 C ASN A 48 -4.967 -11.722 -0.116 1.00 0.00 C ATOM 841 O ASN A 48 -5.499 -12.814 -0.154 1.00 0.00 O ATOM 842 CB ASN A 48 -5.784 -9.742 -1.528 1.00 0.00 C ATOM 843 CG ASN A 48 -4.974 -10.543 -2.564 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.468 -11.490 -3.142 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.742 -10.190 -2.818 1.00 0.00 N ATOM 0 H ASN A 48 -4.521 -9.850 1.448 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.859 -10.705 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.803 -9.610 -1.892 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.351 -8.747 -1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.193 -10.710 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.329 -9.394 -2.332 1.00 0.00 H new ATOM 852 N PRO A 49 -3.653 -11.606 -0.091 1.00 0.00 N ATOM 853 CA PRO A 49 -2.739 -12.770 -0.105 1.00 0.00 C ATOM 854 C PRO A 49 -2.184 -13.103 1.288 1.00 0.00 C ATOM 855 O PRO A 49 -1.484 -14.080 1.459 1.00 0.00 O ATOM 856 CB PRO A 49 -1.623 -12.266 -1.039 1.00 0.00 C ATOM 857 CG PRO A 49 -1.576 -10.760 -0.830 1.00 0.00 C ATOM 858 CD PRO A 49 -2.858 -10.371 -0.045 1.00 0.00 C ATOM 0 HA PRO A 49 -3.221 -13.694 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.666 -12.727 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.839 -12.513 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.682 -10.475 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.536 -10.239 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.631 -10.074 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.380 -9.536 -0.511 1.00 0.00 H new ATOM 866 N ALA A 50 -2.466 -12.289 2.272 1.00 0.00 N ATOM 867 CA ALA A 50 -1.930 -12.555 3.640 1.00 0.00 C ATOM 868 C ALA A 50 -0.420 -12.316 3.599 1.00 0.00 C ATOM 869 O ALA A 50 0.379 -13.197 3.844 1.00 0.00 O ATOM 870 CB ALA A 50 -2.248 -14.003 4.066 1.00 0.00 C ATOM 0 H ALA A 50 -3.044 -11.453 2.188 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.393 -11.892 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.852 -14.184 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.328 -14.152 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.790 -14.698 3.363 1.00 0.00 H new ATOM 876 N LEU A 51 -0.039 -11.115 3.260 1.00 0.00 N ATOM 877 CA LEU A 51 1.408 -10.761 3.157 1.00 0.00 C ATOM 878 C LEU A 51 1.898 -10.203 4.497 1.00 0.00 C ATOM 879 O LEU A 51 2.802 -9.393 4.553 1.00 0.00 O ATOM 880 CB LEU A 51 1.601 -9.720 2.027 1.00 0.00 C ATOM 881 CG LEU A 51 0.387 -8.777 1.934 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.198 -8.022 3.252 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.620 -7.778 0.799 1.00 0.00 C ATOM 0 H LEU A 51 -0.679 -10.350 3.046 1.00 0.00 H new ATOM 0 HA LEU A 51 1.992 -11.650 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.504 -9.139 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.742 -10.232 1.075 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.510 -9.363 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.664 -7.359 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.033 -8.735 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.090 -7.433 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.235 -7.106 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.521 -7.199 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.740 -8.317 -0.141 1.00 0.00 H new ATOM 895 N ARG A 52 1.316 -10.640 5.578 1.00 0.00 N ATOM 896 CA ARG A 52 1.761 -10.142 6.908 1.00 0.00 C ATOM 897 C ARG A 52 3.249 -10.460 7.083 1.00 0.00 C ATOM 898 O ARG A 52 3.874 -10.056 8.042 1.00 0.00 O ATOM 899 CB ARG A 52 0.947 -10.836 8.008 1.00 0.00 C ATOM 900 CG ARG A 52 1.181 -10.141 9.354 1.00 0.00 C ATOM 901 CD ARG A 52 0.190 -10.683 10.386 1.00 0.00 C ATOM 902 NE ARG A 52 0.428 -10.018 11.698 1.00 0.00 N ATOM 903 CZ ARG A 52 -0.180 -10.449 12.769 1.00 0.00 C ATOM 904 NH1 ARG A 52 -0.997 -11.465 12.693 1.00 0.00 N ATOM 905 NH2 ARG A 52 0.028 -9.866 13.918 1.00 0.00 N ATOM 0 H ARG A 52 0.554 -11.318 5.598 1.00 0.00 H new ATOM 0 HA ARG A 52 1.607 -9.065 6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.113 -10.812 7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.234 -11.885 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.203 -10.312 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.057 -9.064 9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.832 -10.502 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.306 -11.762 10.486 1.00 0.00 H new ATOM 0 HE ARG A 52 1.067 -9.225 11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.160 -11.922 11.796 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.472 -11.801 13.531 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.666 -9.073 13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.448 -10.204 14.755 1.00 0.00 H new ATOM 919 N THR A 53 3.823 -11.183 6.152 1.00 0.00 N ATOM 920 CA THR A 53 5.273 -11.533 6.255 1.00 0.00 C ATOM 921 C THR A 53 5.859 -11.733 4.852 1.00 0.00 C ATOM 922 O THR A 53 6.272 -12.818 4.494 1.00 0.00 O ATOM 923 CB THR A 53 5.426 -12.828 7.057 1.00 0.00 C ATOM 924 OG1 THR A 53 6.728 -13.360 6.850 1.00 0.00 O ATOM 925 CG2 THR A 53 4.379 -13.843 6.597 1.00 0.00 C ATOM 0 H THR A 53 3.349 -11.546 5.325 1.00 0.00 H new ATOM 0 HA THR A 53 5.805 -10.724 6.756 1.00 0.00 H new ATOM 0 HB THR A 53 5.283 -12.618 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.810 -13.674 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.489 -14.764 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.381 -13.434 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.519 -14.055 5.537 1.00 0.00 H new ATOM 933 N ASP A 54 5.906 -10.686 4.061 1.00 0.00 N ATOM 934 CA ASP A 54 6.473 -10.783 2.674 1.00 0.00 C ATOM 935 C ASP A 54 7.449 -9.627 2.461 1.00 0.00 C ATOM 936 O ASP A 54 7.301 -8.847 1.542 1.00 0.00 O ATOM 937 CB ASP A 54 5.336 -10.684 1.655 1.00 0.00 C ATOM 938 CG ASP A 54 5.881 -10.967 0.252 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.839 -11.717 0.151 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.331 -10.430 -0.695 1.00 0.00 O ATOM 0 H ASP A 54 5.572 -9.757 4.319 1.00 0.00 H new ATOM 0 HA ASP A 54 6.990 -11.734 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.549 -11.397 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.888 -9.691 1.689 1.00 0.00 H new ATOM 945 N PRO A 55 8.439 -9.512 3.311 1.00 0.00 N ATOM 946 CA PRO A 55 9.451 -8.419 3.226 1.00 0.00 C ATOM 947 C PRO A 55 10.377 -8.575 2.018 1.00 0.00 C ATOM 948 O PRO A 55 10.841 -9.653 1.702 1.00 0.00 O ATOM 949 CB PRO A 55 10.234 -8.553 4.542 1.00 0.00 C ATOM 950 CG PRO A 55 10.127 -10.001 4.877 1.00 0.00 C ATOM 951 CD PRO A 55 8.716 -10.412 4.449 1.00 0.00 C ATOM 0 HA PRO A 55 8.988 -7.441 3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.273 -8.247 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.806 -7.929 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.883 -10.583 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.280 -10.170 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.673 -11.460 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.994 -10.278 5.255 1.00 0.00 H new ATOM 959 N TRP A 56 10.650 -7.492 1.351 1.00 0.00 N ATOM 960 CA TRP A 56 11.550 -7.533 0.162 1.00 0.00 C ATOM 961 C TRP A 56 13.013 -7.558 0.639 1.00 0.00 C ATOM 962 O TRP A 56 13.292 -7.882 1.776 1.00 0.00 O ATOM 963 CB TRP A 56 11.272 -6.310 -0.743 1.00 0.00 C ATOM 964 CG TRP A 56 10.783 -5.140 0.060 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.531 -5.002 0.553 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.505 -3.938 0.445 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.431 -3.787 1.208 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.627 -3.094 1.170 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.822 -3.502 0.236 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.048 -1.860 1.665 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.247 -2.265 0.731 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.362 -1.442 1.444 1.00 0.00 C ATOM 0 H TRP A 56 10.285 -6.567 1.580 1.00 0.00 H new ATOM 0 HA TRP A 56 11.362 -8.433 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.182 -6.034 -1.275 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.529 -6.573 -1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.735 -5.725 0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.583 -3.446 1.661 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.513 -4.126 -0.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.363 -1.232 2.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.263 -1.941 0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.696 -0.487 1.821 1.00 0.00 H new ATOM 983 N SER A 57 13.952 -7.249 -0.228 1.00 0.00 N ATOM 984 CA SER A 57 15.399 -7.286 0.168 1.00 0.00 C ATOM 985 C SER A 57 16.156 -6.133 -0.532 1.00 0.00 C ATOM 986 O SER A 57 15.570 -5.365 -1.268 1.00 0.00 O ATOM 987 CB SER A 57 15.961 -8.666 -0.246 1.00 0.00 C ATOM 988 OG SER A 57 14.872 -9.527 -0.554 1.00 0.00 O ATOM 0 H SER A 57 13.778 -6.972 -1.194 1.00 0.00 H new ATOM 0 HA SER A 57 15.521 -7.152 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.618 -8.563 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.560 -9.088 0.561 1.00 0.00 H new ATOM 0 HG SER A 57 15.215 -10.406 -0.820 1.00 0.00 H new ATOM 994 N PRO A 58 17.448 -6.007 -0.297 1.00 0.00 N ATOM 995 CA PRO A 58 18.290 -4.924 -0.907 1.00 0.00 C ATOM 996 C PRO A 58 18.065 -4.755 -2.418 1.00 0.00 C ATOM 997 O PRO A 58 18.471 -3.774 -3.008 1.00 0.00 O ATOM 998 CB PRO A 58 19.723 -5.380 -0.605 1.00 0.00 C ATOM 999 CG PRO A 58 19.595 -6.120 0.684 1.00 0.00 C ATOM 1000 CD PRO A 58 18.268 -6.878 0.577 1.00 0.00 C ATOM 0 HA PRO A 58 18.045 -3.944 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.115 -6.019 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.402 -4.532 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.430 -6.805 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.591 -5.436 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.404 -7.869 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.805 -7.018 1.554 1.00 0.00 H new ATOM 1008 N GLU A 59 17.426 -5.702 -3.043 1.00 0.00 N ATOM 1009 CA GLU A 59 17.179 -5.606 -4.501 1.00 0.00 C ATOM 1010 C GLU A 59 16.083 -4.584 -4.740 1.00 0.00 C ATOM 1011 O GLU A 59 16.196 -3.737 -5.600 1.00 0.00 O ATOM 1012 CB GLU A 59 16.736 -6.970 -5.037 1.00 0.00 C ATOM 1013 CG GLU A 59 17.826 -8.007 -4.760 1.00 0.00 C ATOM 1014 CD GLU A 59 17.471 -9.321 -5.459 1.00 0.00 C ATOM 1015 OE1 GLU A 59 17.510 -9.350 -6.677 1.00 0.00 O ATOM 1016 OE2 GLU A 59 17.165 -10.275 -4.763 1.00 0.00 O ATOM 0 H GLU A 59 17.062 -6.545 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 59 18.091 -5.301 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.802 -7.273 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.544 -6.906 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.789 -7.642 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.924 -8.169 -3.687 1.00 0.00 H new ATOM 1023 N GLU A 60 15.026 -4.634 -3.972 1.00 0.00 N ATOM 1024 CA GLU A 60 13.942 -3.639 -4.156 1.00 0.00 C ATOM 1025 C GLU A 60 14.378 -2.344 -3.481 1.00 0.00 C ATOM 1026 O GLU A 60 13.914 -1.282 -3.810 1.00 0.00 O ATOM 1027 CB GLU A 60 12.642 -4.156 -3.536 1.00 0.00 C ATOM 1028 CG GLU A 60 12.428 -5.619 -3.934 1.00 0.00 C ATOM 1029 CD GLU A 60 12.420 -5.741 -5.459 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.608 -5.076 -6.083 1.00 0.00 O ATOM 1031 OE2 GLU A 60 13.225 -6.498 -5.978 1.00 0.00 O ATOM 0 H GLU A 60 14.872 -5.318 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 60 13.759 -3.465 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.685 -4.067 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.801 -3.550 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.219 -6.240 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.486 -5.983 -3.525 1.00 0.00 H new ATOM 1038 N ASP A 61 15.292 -2.426 -2.550 1.00 0.00 N ATOM 1039 CA ASP A 61 15.776 -1.188 -1.879 1.00 0.00 C ATOM 1040 C ASP A 61 16.459 -0.318 -2.932 1.00 0.00 C ATOM 1041 O ASP A 61 16.086 0.815 -3.160 1.00 0.00 O ATOM 1042 CB ASP A 61 16.787 -1.551 -0.780 1.00 0.00 C ATOM 1043 CG ASP A 61 16.999 -0.349 0.144 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.528 0.725 -0.194 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.630 -0.523 1.174 1.00 0.00 O ATOM 0 H ASP A 61 15.721 -3.293 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 61 14.941 -0.655 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.424 -2.404 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.735 -1.849 -1.228 1.00 0.00 H new ATOM 1050 N MET A 62 17.455 -0.855 -3.582 1.00 0.00 N ATOM 1051 CA MET A 62 18.165 -0.084 -4.632 1.00 0.00 C ATOM 1052 C MET A 62 17.183 0.238 -5.756 1.00 0.00 C ATOM 1053 O MET A 62 17.228 1.299 -6.346 1.00 0.00 O ATOM 1054 CB MET A 62 19.324 -0.915 -5.185 1.00 0.00 C ATOM 1055 CG MET A 62 20.354 -1.157 -4.079 1.00 0.00 C ATOM 1056 SD MET A 62 21.187 0.400 -3.681 1.00 0.00 S ATOM 1057 CE MET A 62 22.602 -0.318 -2.810 1.00 0.00 C ATOM 0 H MET A 62 17.807 -1.800 -3.427 1.00 0.00 H new ATOM 0 HA MET A 62 18.560 0.840 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.953 -1.867 -5.566 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.790 -0.396 -6.023 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.864 -1.557 -3.191 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.083 -1.900 -4.402 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.262 0.479 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.249 -0.889 -1.951 1.00 0.00 H new ATOM 0 HE3 MET A 62 23.148 -0.978 -3.485 1.00 0.00 H new ATOM 1067 N LEU A 63 16.284 -0.665 -6.053 1.00 0.00 N ATOM 1068 CA LEU A 63 15.292 -0.387 -7.139 1.00 0.00 C ATOM 1069 C LEU A 63 14.263 0.617 -6.600 1.00 0.00 C ATOM 1070 O LEU A 63 13.703 1.412 -7.326 1.00 0.00 O ATOM 1071 CB LEU A 63 14.602 -1.708 -7.557 1.00 0.00 C ATOM 1072 CG LEU A 63 14.225 -1.688 -9.047 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.458 -2.970 -9.387 1.00 0.00 C ATOM 1074 CD2 LEU A 63 13.349 -0.464 -9.359 1.00 0.00 C ATOM 0 H LEU A 63 16.193 -1.573 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 63 15.785 0.032 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.267 -2.548 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.707 -1.861 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 63 15.133 -1.629 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.187 -2.963 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.087 -3.836 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.554 -3.025 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.090 -0.463 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.438 -0.507 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.898 0.447 -9.119 1.00 0.00 H new ATOM 1086 N LEU A 64 14.030 0.589 -5.318 1.00 0.00 N ATOM 1087 CA LEU A 64 13.060 1.535 -4.701 1.00 0.00 C ATOM 1088 C LEU A 64 13.699 2.919 -4.668 1.00 0.00 C ATOM 1089 O LEU A 64 13.059 3.914 -4.920 1.00 0.00 O ATOM 1090 CB LEU A 64 12.734 1.056 -3.275 1.00 0.00 C ATOM 1091 CG LEU A 64 11.959 2.124 -2.483 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.693 2.533 -3.251 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.570 1.540 -1.116 1.00 0.00 C ATOM 0 H LEU A 64 14.475 -0.056 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 64 12.135 1.577 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.146 0.140 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.659 0.813 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 64 12.585 3.006 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.151 3.289 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.973 2.940 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.056 1.660 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.020 2.287 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.943 0.660 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.471 1.257 -0.571 1.00 0.00 H new ATOM 1105 N ASP A 65 14.967 2.994 -4.373 1.00 0.00 N ATOM 1106 CA ASP A 65 15.646 4.321 -4.338 1.00 0.00 C ATOM 1107 C ASP A 65 15.328 5.082 -5.627 1.00 0.00 C ATOM 1108 O ASP A 65 15.291 6.294 -5.655 1.00 0.00 O ATOM 1109 CB ASP A 65 17.156 4.114 -4.229 1.00 0.00 C ATOM 1110 CG ASP A 65 17.838 5.452 -3.937 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.352 6.166 -3.075 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.835 5.739 -4.580 1.00 0.00 O ATOM 0 H ASP A 65 15.563 2.195 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 65 15.294 4.892 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.379 3.400 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.543 3.692 -5.156 1.00 0.00 H new ATOM 1117 N GLN A 66 15.093 4.367 -6.695 1.00 0.00 N ATOM 1118 CA GLN A 66 14.772 5.036 -7.990 1.00 0.00 C ATOM 1119 C GLN A 66 13.310 5.489 -7.995 1.00 0.00 C ATOM 1120 O GLN A 66 12.990 6.575 -8.435 1.00 0.00 O ATOM 1121 CB GLN A 66 15.004 4.054 -9.140 1.00 0.00 C ATOM 1122 CG GLN A 66 14.856 4.786 -10.476 1.00 0.00 C ATOM 1123 CD GLN A 66 15.136 3.816 -11.624 1.00 0.00 C ATOM 1124 OE1 GLN A 66 14.841 4.107 -12.767 1.00 0.00 O ATOM 1125 NE2 GLN A 66 15.699 2.666 -11.369 1.00 0.00 N ATOM 0 H GLN A 66 15.109 3.348 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 66 15.417 5.906 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.999 3.615 -9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.288 3.234 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.850 5.195 -10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.548 5.627 -10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.947 2.421 -10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.891 2.013 -12.128 1.00 0.00 H new ATOM 1134 N LYS A 67 12.418 4.666 -7.514 1.00 0.00 N ATOM 1135 CA LYS A 67 10.974 5.053 -7.498 1.00 0.00 C ATOM 1136 C LYS A 67 10.727 6.037 -6.351 1.00 0.00 C ATOM 1137 O LYS A 67 10.209 7.119 -6.545 1.00 0.00 O ATOM 1138 CB LYS A 67 10.112 3.798 -7.306 1.00 0.00 C ATOM 1139 CG LYS A 67 10.616 2.675 -8.222 1.00 0.00 C ATOM 1140 CD LYS A 67 10.618 3.149 -9.684 1.00 0.00 C ATOM 1141 CE LYS A 67 10.744 1.944 -10.620 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.661 2.404 -12.035 1.00 0.00 N ATOM 0 H LYS A 67 12.624 3.743 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 67 10.708 5.528 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.150 3.475 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.070 4.024 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.622 2.378 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.980 1.796 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.699 3.694 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.445 3.839 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.691 1.433 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.952 1.225 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.747 1.586 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.746 2.873 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.432 3.075 -12.228 1.00 0.00 H new ATOM 1156 N TYR A 68 11.107 5.672 -5.158 1.00 0.00 N ATOM 1157 CA TYR A 68 10.916 6.580 -3.989 1.00 0.00 C ATOM 1158 C TYR A 68 11.494 7.958 -4.333 1.00 0.00 C ATOM 1159 O TYR A 68 10.884 8.980 -4.101 1.00 0.00 O ATOM 1160 CB TYR A 68 11.644 5.976 -2.771 1.00 0.00 C ATOM 1161 CG TYR A 68 11.859 7.027 -1.700 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.941 7.909 -1.806 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.984 7.120 -0.612 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.148 8.884 -0.825 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.190 8.096 0.370 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.272 8.978 0.263 1.00 0.00 C ATOM 1167 OH TYR A 68 12.475 9.940 1.232 1.00 0.00 O ATOM 0 H TYR A 68 11.545 4.777 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 68 9.858 6.690 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.060 5.150 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.604 5.565 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.616 7.836 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.150 6.439 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.983 9.564 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.515 8.169 1.210 1.00 0.00 H new ATOM 0 HH TYR A 68 11.776 9.868 1.916 1.00 0.00 H new ATOM 1177 N ALA A 69 12.668 7.987 -4.890 1.00 0.00 N ATOM 1178 CA ALA A 69 13.292 9.286 -5.259 1.00 0.00 C ATOM 1179 C ALA A 69 12.294 10.109 -6.080 1.00 0.00 C ATOM 1180 O ALA A 69 12.297 11.323 -6.052 1.00 0.00 O ATOM 1181 CB ALA A 69 14.551 9.015 -6.090 1.00 0.00 C ATOM 0 H ALA A 69 13.227 7.162 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 69 13.562 9.841 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.016 9.962 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.254 8.423 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.280 8.467 -6.993 1.00 0.00 H new ATOM 1187 N GLU A 70 11.438 9.444 -6.813 1.00 0.00 N ATOM 1188 CA GLU A 70 10.428 10.154 -7.647 1.00 0.00 C ATOM 1189 C GLU A 70 9.127 10.322 -6.856 1.00 0.00 C ATOM 1190 O GLU A 70 8.627 11.418 -6.689 1.00 0.00 O ATOM 1191 CB GLU A 70 10.157 9.319 -8.902 1.00 0.00 C ATOM 1192 CG GLU A 70 11.355 9.409 -9.854 1.00 0.00 C ATOM 1193 CD GLU A 70 11.408 10.801 -10.487 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.685 11.022 -11.444 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.169 11.622 -10.003 1.00 0.00 O ATOM 0 H GLU A 70 11.397 8.426 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 70 10.804 11.139 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.977 8.280 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.257 9.677 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.279 9.211 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.272 8.649 -10.631 1.00 0.00 H new ATOM 1202 N TYR A 71 8.563 9.238 -6.387 1.00 0.00 N ATOM 1203 CA TYR A 71 7.278 9.320 -5.629 1.00 0.00 C ATOM 1204 C TYR A 71 7.534 9.650 -4.157 1.00 0.00 C ATOM 1205 O TYR A 71 6.835 10.449 -3.567 1.00 0.00 O ATOM 1206 CB TYR A 71 6.545 7.983 -5.743 1.00 0.00 C ATOM 1207 CG TYR A 71 6.551 7.533 -7.188 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.679 8.126 -8.107 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.429 6.525 -7.608 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.682 7.714 -9.445 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.432 6.112 -8.946 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.559 6.707 -9.864 1.00 0.00 C ATOM 1213 OH TYR A 71 6.563 6.301 -11.183 1.00 0.00 O ATOM 0 H TYR A 71 8.939 8.296 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 71 6.667 10.116 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.029 7.235 -5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.520 8.085 -5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.002 8.903 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.103 6.067 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.008 8.173 -10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.108 5.334 -9.270 1.00 0.00 H new ATOM 0 HH TYR A 71 7.231 5.595 -11.306 1.00 0.00 H new ATOM 1223 N GLY A 72 8.522 9.041 -3.557 1.00 0.00 N ATOM 1224 CA GLY A 72 8.821 9.317 -2.113 1.00 0.00 C ATOM 1225 C GLY A 72 8.175 8.217 -1.257 1.00 0.00 C ATOM 1226 O GLY A 72 8.150 7.073 -1.661 1.00 0.00 O ATOM 0 H GLY A 72 9.139 8.362 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.898 9.340 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.433 10.295 -1.827 1.00 0.00 H new ATOM 1230 N PRO A 73 7.659 8.528 -0.084 1.00 0.00 N ATOM 1231 CA PRO A 73 7.032 7.495 0.781 1.00 0.00 C ATOM 1232 C PRO A 73 5.607 7.156 0.333 1.00 0.00 C ATOM 1233 O PRO A 73 4.782 6.742 1.123 1.00 0.00 O ATOM 1234 CB PRO A 73 7.048 8.138 2.175 1.00 0.00 C ATOM 1235 CG PRO A 73 6.929 9.609 1.911 1.00 0.00 C ATOM 1236 CD PRO A 73 7.607 9.865 0.549 1.00 0.00 C ATOM 0 HA PRO A 73 7.563 6.544 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.222 7.777 2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.969 7.904 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.883 9.916 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.413 10.185 2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.036 10.570 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.604 10.287 0.673 1.00 0.00 H new ATOM 1244 N LYS A 74 5.314 7.312 -0.932 1.00 0.00 N ATOM 1245 CA LYS A 74 3.947 6.980 -1.424 1.00 0.00 C ATOM 1246 C LYS A 74 3.883 5.480 -1.699 1.00 0.00 C ATOM 1247 O LYS A 74 3.802 5.047 -2.831 1.00 0.00 O ATOM 1248 CB LYS A 74 3.676 7.745 -2.715 1.00 0.00 C ATOM 1249 CG LYS A 74 3.483 9.230 -2.403 1.00 0.00 C ATOM 1250 CD LYS A 74 3.270 10.002 -3.706 1.00 0.00 C ATOM 1251 CE LYS A 74 3.026 11.479 -3.392 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.837 11.608 -2.502 1.00 0.00 N ATOM 0 H LYS A 74 5.961 7.654 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 74 3.201 7.256 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.507 7.614 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.787 7.348 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.626 9.365 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.355 9.618 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.143 9.896 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.420 9.590 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.903 11.909 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.865 12.036 -4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.290 12.449 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.240 10.762 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.151 11.703 -1.515 1.00 0.00 H new ATOM 1266 N TRP A 75 3.933 4.684 -0.669 1.00 0.00 N ATOM 1267 CA TRP A 75 3.894 3.212 -0.856 1.00 0.00 C ATOM 1268 C TRP A 75 2.645 2.816 -1.647 1.00 0.00 C ATOM 1269 O TRP A 75 2.456 1.667 -1.995 1.00 0.00 O ATOM 1270 CB TRP A 75 3.900 2.531 0.519 1.00 0.00 C ATOM 1271 CG TRP A 75 4.801 3.284 1.454 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.410 3.831 2.627 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.226 3.591 1.318 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.501 4.428 3.231 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.638 4.315 2.463 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.190 3.312 0.332 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.956 4.744 2.623 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.516 3.747 0.490 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.898 4.460 1.633 1.00 0.00 C ATOM 0 H TRP A 75 4.000 4.994 0.300 1.00 0.00 H new ATOM 0 HA TRP A 75 4.770 2.890 -1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.888 2.497 0.923 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.240 1.500 0.423 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.407 3.806 3.028 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.468 4.896 4.137 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.908 2.760 -0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.245 5.292 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.246 3.530 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.920 4.790 1.748 1.00 0.00 H new ATOM 1290 N ASN A 76 1.801 3.760 -1.945 1.00 0.00 N ATOM 1291 CA ASN A 76 0.577 3.443 -2.729 1.00 0.00 C ATOM 1292 C ASN A 76 0.983 3.204 -4.182 1.00 0.00 C ATOM 1293 O ASN A 76 0.428 2.368 -4.865 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.400 4.620 -2.655 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.721 4.230 -3.320 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.040 3.062 -3.425 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.508 5.164 -3.776 1.00 0.00 N ATOM 0 H ASN A 76 1.905 4.739 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 76 0.092 2.555 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.572 4.898 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.026 5.492 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.391 4.914 -4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.240 6.144 -3.688 1.00 0.00 H new ATOM 1304 N LYS A 77 1.965 3.929 -4.651 1.00 0.00 N ATOM 1305 CA LYS A 77 2.438 3.747 -6.053 1.00 0.00 C ATOM 1306 C LYS A 77 3.461 2.615 -6.079 1.00 0.00 C ATOM 1307 O LYS A 77 3.516 1.828 -7.002 1.00 0.00 O ATOM 1308 CB LYS A 77 3.097 5.040 -6.537 1.00 0.00 C ATOM 1309 CG LYS A 77 2.025 6.111 -6.754 1.00 0.00 C ATOM 1310 CD LYS A 77 2.690 7.418 -7.189 1.00 0.00 C ATOM 1311 CE LYS A 77 1.633 8.519 -7.295 1.00 0.00 C ATOM 1312 NZ LYS A 77 2.244 9.737 -7.897 1.00 0.00 N ATOM 0 H LYS A 77 2.462 4.643 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 77 1.598 3.505 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.827 5.385 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.638 4.859 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.315 5.782 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.460 6.266 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.458 7.704 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.187 7.283 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.797 8.178 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.233 8.750 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.526 10.486 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.027 10.065 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.606 9.511 -8.846 1.00 0.00 H new ATOM 1326 N ILE A 78 4.274 2.530 -5.062 1.00 0.00 N ATOM 1327 CA ILE A 78 5.297 1.453 -5.012 1.00 0.00 C ATOM 1328 C ILE A 78 4.594 0.100 -4.876 1.00 0.00 C ATOM 1329 O ILE A 78 4.816 -0.810 -5.648 1.00 0.00 O ATOM 1330 CB ILE A 78 6.215 1.691 -3.804 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.576 3.182 -3.705 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.496 0.862 -3.949 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.089 3.701 -5.054 1.00 0.00 C ATOM 0 H ILE A 78 4.272 3.163 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 78 5.893 1.458 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 78 5.691 1.387 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.701 3.754 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.338 3.328 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.142 1.036 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.240 -0.196 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.018 1.155 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.340 4.758 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.977 3.140 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.315 3.574 -5.811 1.00 0.00 H new ATOM 1345 N SER A 79 3.742 -0.037 -3.899 1.00 0.00 N ATOM 1346 CA SER A 79 3.017 -1.329 -3.715 1.00 0.00 C ATOM 1347 C SER A 79 2.361 -1.756 -5.032 1.00 0.00 C ATOM 1348 O SER A 79 2.127 -2.924 -5.266 1.00 0.00 O ATOM 1349 CB SER A 79 1.945 -1.167 -2.639 1.00 0.00 C ATOM 1350 OG SER A 79 0.893 -0.354 -3.141 1.00 0.00 O ATOM 0 H SER A 79 3.515 0.689 -3.219 1.00 0.00 H new ATOM 0 HA SER A 79 3.729 -2.095 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.558 -2.143 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.376 -0.714 -1.746 1.00 0.00 H new ATOM 0 HG SER A 79 1.079 0.586 -2.935 1.00 0.00 H new ATOM 1356 N LYS A 80 2.063 -0.822 -5.895 1.00 0.00 N ATOM 1357 CA LYS A 80 1.426 -1.182 -7.193 1.00 0.00 C ATOM 1358 C LYS A 80 2.502 -1.705 -8.141 1.00 0.00 C ATOM 1359 O LYS A 80 2.219 -2.393 -9.101 1.00 0.00 O ATOM 1360 CB LYS A 80 0.762 0.060 -7.802 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.543 0.365 -7.061 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.111 1.698 -7.552 1.00 0.00 C ATOM 1363 CE LYS A 80 -2.533 1.878 -7.017 1.00 0.00 C ATOM 1364 NZ LYS A 80 -3.018 3.248 -7.346 1.00 0.00 N ATOM 0 H LYS A 80 2.233 0.174 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 80 0.668 -1.949 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.437 0.914 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.560 -0.106 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.265 -0.434 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.362 0.409 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.479 2.520 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.116 1.724 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.195 1.131 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.549 1.724 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.862 3.463 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.272 3.941 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.259 3.298 -8.356 1.00 0.00 H new ATOM 1378 N PHE A 81 3.740 -1.384 -7.874 1.00 0.00 N ATOM 1379 CA PHE A 81 4.843 -1.863 -8.754 1.00 0.00 C ATOM 1380 C PHE A 81 5.243 -3.267 -8.295 1.00 0.00 C ATOM 1381 O PHE A 81 5.927 -3.991 -8.990 1.00 0.00 O ATOM 1382 CB PHE A 81 6.043 -0.896 -8.634 1.00 0.00 C ATOM 1383 CG PHE A 81 5.911 0.242 -9.636 1.00 0.00 C ATOM 1384 CD1 PHE A 81 4.714 0.965 -9.720 1.00 0.00 C ATOM 1385 CD2 PHE A 81 6.985 0.574 -10.479 1.00 0.00 C ATOM 1386 CE1 PHE A 81 4.590 2.012 -10.641 1.00 0.00 C ATOM 1387 CE2 PHE A 81 6.859 1.622 -11.398 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.661 2.340 -11.479 1.00 0.00 C ATOM 0 H PHE A 81 4.034 -0.810 -7.084 1.00 0.00 H new ATOM 0 HA PHE A 81 4.523 -1.895 -9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.094 -0.494 -7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.973 -1.437 -8.809 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.886 0.714 -9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.910 0.019 -10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.666 2.567 -10.705 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.686 1.876 -12.044 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.563 3.148 -12.189 1.00 0.00 H new ATOM 1398 N LEU A 82 4.813 -3.652 -7.120 1.00 0.00 N ATOM 1399 CA LEU A 82 5.150 -5.009 -6.582 1.00 0.00 C ATOM 1400 C LEU A 82 3.958 -5.943 -6.798 1.00 0.00 C ATOM 1401 O LEU A 82 4.087 -7.002 -7.377 1.00 0.00 O ATOM 1402 CB LEU A 82 5.448 -4.903 -5.079 1.00 0.00 C ATOM 1403 CG LEU A 82 6.415 -3.742 -4.810 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.575 -3.559 -3.302 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.786 -4.041 -5.435 1.00 0.00 C ATOM 0 H LEU A 82 4.237 -3.079 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 82 6.025 -5.403 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.521 -4.749 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.881 -5.837 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 82 6.013 -2.831 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.261 -2.735 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.605 -3.337 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.973 -4.475 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.464 -3.211 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.193 -4.953 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.675 -4.171 -6.511 1.00 0.00 H new ATOM 1417 N LYS A 83 2.805 -5.561 -6.316 1.00 0.00 N ATOM 1418 CA LYS A 83 1.597 -6.413 -6.465 1.00 0.00 C ATOM 1419 C LYS A 83 1.819 -7.685 -5.664 1.00 0.00 C ATOM 1420 O LYS A 83 1.066 -8.636 -5.755 1.00 0.00 O ATOM 1421 CB LYS A 83 1.348 -6.742 -7.950 1.00 0.00 C ATOM 1422 CG LYS A 83 1.639 -5.499 -8.827 1.00 0.00 C ATOM 1423 CD LYS A 83 0.839 -5.563 -10.151 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.571 -4.987 -9.951 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.302 -5.004 -11.250 1.00 0.00 N ATOM 0 H LYS A 83 2.651 -4.683 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 83 0.717 -5.887 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.985 -7.571 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.316 -7.063 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.376 -4.593 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.706 -5.442 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.361 -5.003 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.772 -6.596 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.113 -5.573 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.509 -3.968 -9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.257 -4.614 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.787 -4.427 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.373 -5.982 -11.596 1.00 0.00 H new ATOM 1439 N ASN A 84 2.861 -7.694 -4.869 1.00 0.00 N ATOM 1440 CA ASN A 84 3.184 -8.880 -4.025 1.00 0.00 C ATOM 1441 C ASN A 84 3.350 -8.427 -2.572 1.00 0.00 C ATOM 1442 O ASN A 84 3.455 -9.235 -1.671 1.00 0.00 O ATOM 1443 CB ASN A 84 4.487 -9.516 -4.523 1.00 0.00 C ATOM 1444 CG ASN A 84 4.231 -10.249 -5.841 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.579 -11.404 -5.986 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.632 -9.620 -6.817 1.00 0.00 N ATOM 0 H ASN A 84 3.511 -6.914 -4.770 1.00 0.00 H new ATOM 0 HA ASN A 84 2.380 -9.613 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.247 -8.748 -4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.872 -10.212 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.457 -10.099 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.340 -8.650 -6.695 1.00 0.00 H new ATOM 1453 N ARG A 85 3.368 -7.134 -2.341 1.00 0.00 N ATOM 1454 CA ARG A 85 3.517 -6.601 -0.945 1.00 0.00 C ATOM 1455 C ARG A 85 2.466 -5.523 -0.708 1.00 0.00 C ATOM 1456 O ARG A 85 1.689 -5.196 -1.583 1.00 0.00 O ATOM 1457 CB ARG A 85 4.923 -6.009 -0.760 1.00 0.00 C ATOM 1458 CG ARG A 85 5.991 -7.139 -0.741 1.00 0.00 C ATOM 1459 CD ARG A 85 6.517 -7.423 -2.161 1.00 0.00 C ATOM 1460 NE ARG A 85 7.023 -8.823 -2.228 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.711 -9.220 -3.265 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.957 -8.391 -4.243 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.154 -10.447 -3.323 1.00 0.00 N ATOM 0 H ARG A 85 3.285 -6.420 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 85 3.379 -7.410 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.139 -5.310 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.966 -5.444 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.819 -6.851 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.558 -8.047 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.722 -7.276 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.314 -6.724 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 85 6.832 -9.471 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.612 -7.432 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.494 -8.702 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.963 -11.095 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.691 -10.758 -4.133 1.00 0.00 H new ATOM 1477 N SER A 86 2.423 -4.992 0.488 1.00 0.00 N ATOM 1478 CA SER A 86 1.415 -3.952 0.840 1.00 0.00 C ATOM 1479 C SER A 86 2.130 -2.753 1.432 1.00 0.00 C ATOM 1480 O SER A 86 3.248 -2.838 1.893 1.00 0.00 O ATOM 1481 CB SER A 86 0.447 -4.520 1.882 1.00 0.00 C ATOM 1482 OG SER A 86 -0.068 -3.459 2.678 1.00 0.00 O ATOM 0 H SER A 86 3.057 -5.242 1.247 1.00 0.00 H new ATOM 0 HA SER A 86 0.864 -3.655 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.369 -5.047 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.960 -5.246 2.513 1.00 0.00 H new ATOM 0 HG SER A 86 -0.573 -2.840 2.111 1.00 0.00 H new ATOM 1488 N ASP A 87 1.479 -1.641 1.431 1.00 0.00 N ATOM 1489 CA ASP A 87 2.098 -0.416 1.992 1.00 0.00 C ATOM 1490 C ASP A 87 2.482 -0.678 3.446 1.00 0.00 C ATOM 1491 O ASP A 87 3.460 -0.161 3.947 1.00 0.00 O ATOM 1492 CB ASP A 87 1.105 0.745 1.910 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.266 0.283 2.408 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.337 -0.792 2.980 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.223 1.013 2.209 1.00 0.00 O ATOM 0 H ASP A 87 0.535 -1.520 1.064 1.00 0.00 H new ATOM 0 HA ASP A 87 2.990 -0.155 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.458 1.582 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.029 1.100 0.882 1.00 0.00 H new ATOM 1500 N ASN A 88 1.724 -1.491 4.118 1.00 0.00 N ATOM 1501 CA ASN A 88 2.047 -1.807 5.534 1.00 0.00 C ATOM 1502 C ASN A 88 3.345 -2.614 5.568 1.00 0.00 C ATOM 1503 O ASN A 88 4.096 -2.563 6.521 1.00 0.00 O ATOM 1504 CB ASN A 88 0.913 -2.632 6.150 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.308 -1.738 6.375 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.538 -0.806 5.632 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -1.106 -1.987 7.378 1.00 0.00 N ATOM 0 H ASN A 88 0.893 -1.952 3.748 1.00 0.00 H new ATOM 0 HA ASN A 88 2.164 -0.885 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.653 -3.461 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.238 -3.066 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.923 -1.398 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.912 -2.770 8.002 1.00 0.00 H new ATOM 1514 N ASN A 89 3.616 -3.356 4.525 1.00 0.00 N ATOM 1515 CA ASN A 89 4.862 -4.165 4.479 1.00 0.00 C ATOM 1516 C ASN A 89 6.014 -3.273 4.016 1.00 0.00 C ATOM 1517 O ASN A 89 7.140 -3.409 4.449 1.00 0.00 O ATOM 1518 CB ASN A 89 4.657 -5.302 3.475 1.00 0.00 C ATOM 1519 CG ASN A 89 5.767 -6.339 3.629 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.209 -6.618 4.725 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.236 -6.926 2.566 1.00 0.00 N ATOM 0 H ASN A 89 3.021 -3.434 3.700 1.00 0.00 H new ATOM 0 HA ASN A 89 5.094 -4.573 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.686 -5.770 3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.656 -4.906 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.976 -7.622 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.863 -6.690 1.646 1.00 0.00 H new ATOM 1528 N ILE A 90 5.726 -2.366 3.130 1.00 0.00 N ATOM 1529 CA ILE A 90 6.773 -1.449 2.603 1.00 0.00 C ATOM 1530 C ILE A 90 7.016 -0.335 3.613 1.00 0.00 C ATOM 1531 O ILE A 90 8.127 -0.093 4.044 1.00 0.00 O ATOM 1532 CB ILE A 90 6.271 -0.847 1.292 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.931 -1.980 0.315 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.349 0.049 0.677 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.195 -1.448 -0.923 1.00 0.00 C ATOM 0 H ILE A 90 4.795 -2.218 2.742 1.00 0.00 H new ATOM 0 HA ILE A 90 7.703 -1.992 2.434 1.00 0.00 H new ATOM 0 HB ILE A 90 5.382 -0.248 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.847 -2.485 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.311 -2.723 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.980 0.473 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.592 0.854 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.244 -0.541 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.969 -2.276 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.267 -0.966 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.826 -0.724 -1.438 1.00 0.00 H new ATOM 1547 N ARG A 91 5.973 0.339 4.000 1.00 0.00 N ATOM 1548 CA ARG A 91 6.107 1.439 4.995 1.00 0.00 C ATOM 1549 C ARG A 91 6.846 0.909 6.220 1.00 0.00 C ATOM 1550 O ARG A 91 7.567 1.620 6.891 1.00 0.00 O ATOM 1551 CB ARG A 91 4.708 1.902 5.411 1.00 0.00 C ATOM 1552 CG ARG A 91 4.806 3.178 6.255 1.00 0.00 C ATOM 1553 CD ARG A 91 3.462 3.441 6.935 1.00 0.00 C ATOM 1554 NE ARG A 91 3.471 4.800 7.548 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.384 5.277 8.092 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.289 4.565 8.100 1.00 0.00 N ATOM 1557 NH2 ARG A 91 2.392 6.467 8.630 1.00 0.00 N ATOM 0 H ARG A 91 5.023 0.174 3.667 1.00 0.00 H new ATOM 0 HA ARG A 91 6.660 2.273 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.100 2.088 4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.211 1.117 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.591 3.072 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.079 4.024 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.654 3.364 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.276 2.687 7.700 1.00 0.00 H new ATOM 0 HE ARG A 91 4.326 5.357 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.282 3.635 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.441 4.939 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.247 7.023 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.543 6.840 9.055 1.00 0.00 H new ATOM 1571 N ASN A 92 6.646 -0.341 6.518 1.00 0.00 N ATOM 1572 CA ASN A 92 7.304 -0.952 7.709 1.00 0.00 C ATOM 1573 C ASN A 92 8.742 -1.354 7.376 1.00 0.00 C ATOM 1574 O ASN A 92 9.635 -1.210 8.188 1.00 0.00 O ATOM 1575 CB ASN A 92 6.523 -2.196 8.131 1.00 0.00 C ATOM 1576 CG ASN A 92 7.160 -2.801 9.383 1.00 0.00 C ATOM 1577 OD1 ASN A 92 6.883 -2.374 10.486 1.00 0.00 O ATOM 1578 ND2 ASN A 92 8.009 -3.784 9.259 1.00 0.00 N ATOM 0 H ASN A 92 6.050 -0.974 5.984 1.00 0.00 H new ATOM 0 HA ASN A 92 7.317 -0.222 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.483 -1.935 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.520 -2.927 7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.440 -4.194 10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.242 -4.143 8.333 1.00 0.00 H new ATOM 1585 N ARG A 93 8.981 -1.873 6.200 1.00 0.00 N ATOM 1586 CA ARG A 93 10.371 -2.293 5.850 1.00 0.00 C ATOM 1587 C ARG A 93 11.213 -1.042 5.565 1.00 0.00 C ATOM 1588 O ARG A 93 12.344 -0.935 5.994 1.00 0.00 O ATOM 1589 CB ARG A 93 10.333 -3.227 4.612 1.00 0.00 C ATOM 1590 CG ARG A 93 10.301 -4.712 5.039 1.00 0.00 C ATOM 1591 CD ARG A 93 8.965 -5.066 5.727 1.00 0.00 C ATOM 1592 NE ARG A 93 9.204 -6.113 6.759 1.00 0.00 N ATOM 1593 CZ ARG A 93 8.241 -6.469 7.564 1.00 0.00 C ATOM 1594 NH1 ARG A 93 7.066 -5.906 7.468 1.00 0.00 N ATOM 1595 NH2 ARG A 93 8.451 -7.388 8.467 1.00 0.00 N ATOM 0 H ARG A 93 8.282 -2.023 5.473 1.00 0.00 H new ATOM 0 HA ARG A 93 10.821 -2.840 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.455 -3.000 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.207 -3.044 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.443 -5.348 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.128 -4.916 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.533 -4.177 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.247 -5.424 4.989 1.00 0.00 H new ATOM 0 HE ARG A 93 10.121 -6.552 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.901 -5.187 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.314 -6.185 8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.368 -7.828 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.698 -7.666 9.096 1.00 0.00 H new ATOM 1609 N TRP A 94 10.671 -0.098 4.853 1.00 0.00 N ATOM 1610 CA TRP A 94 11.442 1.140 4.554 1.00 0.00 C ATOM 1611 C TRP A 94 11.807 1.832 5.869 1.00 0.00 C ATOM 1612 O TRP A 94 12.897 2.342 6.030 1.00 0.00 O ATOM 1613 CB TRP A 94 10.585 2.080 3.696 1.00 0.00 C ATOM 1614 CG TRP A 94 11.307 3.374 3.483 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.041 4.528 4.139 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.404 3.668 2.569 1.00 0.00 C ATOM 1617 NE1 TRP A 94 11.903 5.509 3.686 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.762 5.028 2.718 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.115 2.894 1.635 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.789 5.601 1.966 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.149 3.467 0.877 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.485 4.817 1.043 1.00 0.00 C ATOM 0 H TRP A 94 9.728 -0.128 4.465 1.00 0.00 H new ATOM 0 HA TRP A 94 12.352 0.887 4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.367 1.613 2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.629 2.263 4.186 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.279 4.661 4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.904 6.471 4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.864 1.852 1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.043 6.642 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.688 2.864 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.282 5.251 0.458 1.00 0.00 H new ATOM 1633 N MET A 95 10.904 1.854 6.810 1.00 0.00 N ATOM 1634 CA MET A 95 11.200 2.516 8.112 1.00 0.00 C ATOM 1635 C MET A 95 12.245 1.701 8.879 1.00 0.00 C ATOM 1636 O MET A 95 13.066 2.242 9.592 1.00 0.00 O ATOM 1637 CB MET A 95 9.917 2.605 8.942 1.00 0.00 C ATOM 1638 CG MET A 95 10.191 3.395 10.222 1.00 0.00 C ATOM 1639 SD MET A 95 8.631 3.692 11.094 1.00 0.00 S ATOM 1640 CE MET A 95 9.349 4.261 12.655 1.00 0.00 C ATOM 0 H MET A 95 9.974 1.442 6.734 1.00 0.00 H new ATOM 0 HA MET A 95 11.587 3.518 7.927 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.130 3.090 8.364 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.561 1.605 9.189 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.879 2.843 10.863 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.672 4.343 9.981 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.550 4.504 13.356 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.974 3.474 13.076 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.956 5.148 12.474 1.00 0.00 H new ATOM 1650 N MET A 96 12.227 0.402 8.733 1.00 0.00 N ATOM 1651 CA MET A 96 13.220 -0.447 9.446 1.00 0.00 C ATOM 1652 C MET A 96 14.538 -0.417 8.678 1.00 0.00 C ATOM 1653 O MET A 96 15.608 -0.473 9.252 1.00 0.00 O ATOM 1654 CB MET A 96 12.704 -1.886 9.518 1.00 0.00 C ATOM 1655 CG MET A 96 13.636 -2.720 10.399 1.00 0.00 C ATOM 1656 SD MET A 96 12.995 -4.409 10.524 1.00 0.00 S ATOM 1657 CE MET A 96 14.527 -5.192 11.084 1.00 0.00 C ATOM 0 H MET A 96 11.564 -0.107 8.148 1.00 0.00 H new ATOM 0 HA MET A 96 13.372 -0.069 10.457 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.693 -1.901 9.924 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.652 -2.315 8.517 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.641 -2.731 9.976 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.712 -2.274 11.391 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.359 -6.259 11.228 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.305 -5.045 10.335 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.841 -4.744 12.027 1.00 0.00 H new ATOM 1667 N ILE A 97 14.467 -0.327 7.376 1.00 0.00 N ATOM 1668 CA ILE A 97 15.708 -0.290 6.555 1.00 0.00 C ATOM 1669 C ILE A 97 16.227 1.145 6.495 1.00 0.00 C ATOM 1670 O ILE A 97 17.414 1.383 6.380 1.00 0.00 O ATOM 1671 CB ILE A 97 15.397 -0.793 5.141 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.975 -2.267 5.209 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.643 -0.658 4.257 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.383 -2.696 3.865 1.00 0.00 C ATOM 0 H ILE A 97 13.597 -0.277 6.845 1.00 0.00 H new ATOM 0 HA ILE A 97 16.468 -0.930 7.003 1.00 0.00 H new ATOM 0 HB ILE A 97 14.589 -0.199 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.835 -2.891 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.241 -2.409 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.417 -1.017 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.944 0.389 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.455 -1.250 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.084 -3.743 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.512 -2.081 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.130 -2.570 3.081 1.00 0.00 H new ATOM 1686 N ALA A 98 15.348 2.108 6.576 1.00 0.00 N ATOM 1687 CA ALA A 98 15.796 3.527 6.529 1.00 0.00 C ATOM 1688 C ALA A 98 16.434 3.889 7.868 1.00 0.00 C ATOM 1689 O ALA A 98 17.150 4.863 7.988 1.00 0.00 O ATOM 1690 CB ALA A 98 14.594 4.441 6.276 1.00 0.00 C ATOM 0 H ALA A 98 14.342 1.972 6.672 1.00 0.00 H new ATOM 0 HA ALA A 98 16.520 3.656 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.927 5.478 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.130 4.178 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.868 4.319 7.080 1.00 0.00 H new ATOM 1696 N ARG A 99 16.175 3.105 8.878 1.00 0.00 N ATOM 1697 CA ARG A 99 16.754 3.382 10.217 1.00 0.00 C ATOM 1698 C ARG A 99 18.240 3.024 10.206 1.00 0.00 C ATOM 1699 O ARG A 99 19.002 3.465 11.043 1.00 0.00 O ATOM 1700 CB ARG A 99 16.017 2.539 11.270 1.00 0.00 C ATOM 1701 CG ARG A 99 16.669 2.699 12.656 1.00 0.00 C ATOM 1702 CD ARG A 99 16.749 4.181 13.049 1.00 0.00 C ATOM 1703 NE ARG A 99 16.883 4.290 14.530 1.00 0.00 N ATOM 1704 CZ ARG A 99 17.223 5.427 15.075 1.00 0.00 C ATOM 1705 NH1 ARG A 99 17.446 6.471 14.322 1.00 0.00 N ATOM 1706 NH2 ARG A 99 17.340 5.521 16.370 1.00 0.00 N ATOM 0 H ARG A 99 15.581 2.277 8.829 1.00 0.00 H new ATOM 0 HA ARG A 99 16.642 4.438 10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.971 2.843 11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.031 1.489 10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.092 2.151 13.401 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.669 2.266 12.645 1.00 0.00 H new ATOM 0 HD2 ARG A 99 17.600 4.654 12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.855 4.707 12.713 1.00 0.00 H new ATOM 0 HE ARG A 99 16.709 3.475 15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.355 6.398 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.712 7.359 14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.166 4.706 16.958 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.606 6.409 16.795 1.00 0.00 H new ATOM 1720 N HIS A 100 18.656 2.218 9.267 1.00 0.00 N ATOM 1721 CA HIS A 100 20.085 1.820 9.205 1.00 0.00 C ATOM 1722 C HIS A 100 20.897 2.964 8.614 1.00 0.00 C ATOM 1723 O HIS A 100 21.969 3.287 9.085 1.00 0.00 O ATOM 1724 CB HIS A 100 20.232 0.579 8.322 1.00 0.00 C ATOM 1725 CG HIS A 100 21.680 0.179 8.255 1.00 0.00 C ATOM 1726 ND1 HIS A 100 22.648 0.769 9.057 1.00 0.00 N ATOM 1727 CD2 HIS A 100 22.342 -0.747 7.487 1.00 0.00 C ATOM 1728 CE1 HIS A 100 23.829 0.195 8.756 1.00 0.00 C ATOM 1729 NE2 HIS A 100 23.695 -0.733 7.808 1.00 0.00 N ATOM 0 H HIS A 100 18.063 1.819 8.539 1.00 0.00 H new ATOM 0 HA HIS A 100 20.447 1.594 10.208 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.636 -0.240 8.725 1.00 0.00 H new ATOM 0 HB3 HIS A 100 19.854 0.785 7.321 1.00 0.00 H new ATOM 0 HD1 HIS A 100 22.493 1.503 9.748 1.00 0.00 H new ATOM 0 HD2 HIS A 100 21.883 -1.387 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.767 0.454 9.224 1.00 0.00 H new ATOM 1738 N ARG A 101 20.396 3.584 7.578 1.00 0.00 N ATOM 1739 CA ARG A 101 21.140 4.711 6.951 1.00 0.00 C ATOM 1740 C ARG A 101 20.799 6.015 7.676 1.00 0.00 C ATOM 1741 O ARG A 101 21.464 7.019 7.514 1.00 0.00 O ATOM 1742 CB ARG A 101 20.753 4.829 5.473 1.00 0.00 C ATOM 1743 CG ARG A 101 19.231 4.811 5.339 1.00 0.00 C ATOM 1744 CD ARG A 101 18.837 5.141 3.896 1.00 0.00 C ATOM 1745 NE ARG A 101 17.360 5.321 3.813 1.00 0.00 N ATOM 1746 CZ ARG A 101 16.805 6.407 4.278 1.00 0.00 C ATOM 1747 NH1 ARG A 101 17.544 7.336 4.820 1.00 0.00 N ATOM 1748 NH2 ARG A 101 15.511 6.564 4.203 1.00 0.00 N ATOM 0 H ARG A 101 19.503 3.357 7.140 1.00 0.00 H new ATOM 0 HA ARG A 101 22.211 4.522 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 101 21.154 5.752 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.188 4.006 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.843 3.831 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.787 5.535 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.344 6.049 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.155 4.340 3.229 1.00 0.00 H new ATOM 0 HE ARG A 101 16.782 4.594 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.555 7.213 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.111 8.185 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.933 5.838 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.078 7.413 4.567 1.00 0.00 H new ATOM 1762 N ALA A 102 19.769 6.007 8.478 1.00 0.00 N ATOM 1763 CA ALA A 102 19.391 7.245 9.214 1.00 0.00 C ATOM 1764 C ALA A 102 20.535 7.655 10.145 1.00 0.00 C ATOM 1765 O ALA A 102 20.713 8.816 10.451 1.00 0.00 O ATOM 1766 CB ALA A 102 18.132 6.980 10.044 1.00 0.00 C ATOM 0 H ALA A 102 19.174 5.197 8.655 1.00 0.00 H new ATOM 0 HA ALA A 102 19.197 8.046 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.854 7.886 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.316 6.686 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.328 6.179 10.757 1.00 0.00 H new ATOM 1772 N LYS A 103 21.313 6.708 10.595 1.00 0.00 N ATOM 1773 CA LYS A 103 22.444 7.038 11.501 1.00 0.00 C ATOM 1774 C LYS A 103 23.564 7.700 10.695 1.00 0.00 C ATOM 1775 O LYS A 103 24.684 7.817 11.151 1.00 0.00 O ATOM 1776 CB LYS A 103 22.959 5.745 12.140 1.00 0.00 C ATOM 1777 CG LYS A 103 21.962 5.255 13.200 1.00 0.00 C ATOM 1778 CD LYS A 103 22.298 3.816 13.607 1.00 0.00 C ATOM 1779 CE LYS A 103 23.755 3.732 14.081 1.00 0.00 C ATOM 1780 NZ LYS A 103 24.079 4.924 14.913 1.00 0.00 N ATOM 0 H LYS A 103 21.212 5.718 10.372 1.00 0.00 H new ATOM 0 HA LYS A 103 22.111 7.724 12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 103 23.096 4.980 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.934 5.917 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.997 5.907 14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.947 5.303 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.629 3.488 14.402 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.142 3.145 12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 103 23.908 2.820 14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 103 24.425 3.682 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 24.848 4.688 15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 24.379 5.706 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 23.237 5.211 15.451 1.00 0.00 H new ATOM 1794 N HIS A 104 23.270 8.132 9.497 1.00 0.00 N ATOM 1795 CA HIS A 104 24.313 8.787 8.656 1.00 0.00 C ATOM 1796 C HIS A 104 25.562 7.905 8.611 1.00 0.00 C ATOM 1797 O HIS A 104 26.645 8.357 8.295 1.00 0.00 O ATOM 1798 CB HIS A 104 24.666 10.149 9.255 1.00 0.00 C ATOM 1799 CG HIS A 104 23.503 11.089 9.090 1.00 0.00 C ATOM 1800 ND1 HIS A 104 23.631 12.461 9.261 1.00 0.00 N ATOM 1801 CD2 HIS A 104 22.185 10.872 8.770 1.00 0.00 C ATOM 1802 CE1 HIS A 104 22.421 13.011 9.045 1.00 0.00 C ATOM 1803 NE2 HIS A 104 21.510 12.086 8.743 1.00 0.00 N ATOM 0 H HIS A 104 22.349 8.059 9.064 1.00 0.00 H new ATOM 0 HA HIS A 104 23.933 8.924 7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 104 24.912 10.040 10.311 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.549 10.557 8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.742 9.907 8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.214 14.069 9.109 1.00 0.00 H new ATOM 0 HE2 HIS A 104 20.523 12.238 8.535 1.00 0.00 H new ATOM 1812 N GLN A 105 25.417 6.648 8.925 1.00 0.00 N ATOM 1813 CA GLN A 105 26.589 5.730 8.904 1.00 0.00 C ATOM 1814 C GLN A 105 26.955 5.402 7.455 1.00 0.00 C ATOM 1815 O GLN A 105 28.090 5.097 7.145 1.00 0.00 O ATOM 1816 CB GLN A 105 26.232 4.440 9.643 1.00 0.00 C ATOM 1817 CG GLN A 105 27.458 3.527 9.704 1.00 0.00 C ATOM 1818 CD GLN A 105 27.179 2.358 10.650 1.00 0.00 C ATOM 1819 OE1 GLN A 105 26.052 2.143 11.053 1.00 0.00 O ATOM 1820 NE2 GLN A 105 28.164 1.589 11.026 1.00 0.00 N ATOM 0 H GLN A 105 24.534 6.216 9.196 1.00 0.00 H new ATOM 0 HA GLN A 105 27.438 6.209 9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 105 25.887 4.670 10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 105 25.413 3.932 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 105 27.696 3.153 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 105 28.326 4.089 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 105 29.109 1.769 10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 105 27.989 0.808 11.658 1.00 0.00 H new ATOM 1829 N LYS A 106 26.003 5.464 6.564 1.00 0.00 N ATOM 1830 CA LYS A 106 26.297 5.156 5.136 1.00 0.00 C ATOM 1831 C LYS A 106 27.455 6.033 4.653 1.00 0.00 C ATOM 1832 O LYS A 106 28.072 5.762 3.643 1.00 0.00 O ATOM 1833 CB LYS A 106 25.055 5.439 4.288 1.00 0.00 C ATOM 1834 CG LYS A 106 25.289 4.951 2.856 1.00 0.00 C ATOM 1835 CD LYS A 106 23.988 5.058 2.059 1.00 0.00 C ATOM 1836 CE LYS A 106 24.175 4.413 0.685 1.00 0.00 C ATOM 1837 NZ LYS A 106 25.249 5.131 -0.059 1.00 0.00 N ATOM 0 H LYS A 106 25.035 5.715 6.764 1.00 0.00 H new ATOM 0 HA LYS A 106 26.572 4.106 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 106 24.187 4.937 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 106 24.838 6.507 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 106 26.069 5.547 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 106 25.638 3.918 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 106 23.178 4.564 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 106 23.704 6.104 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 106 24.437 3.361 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 106 23.241 4.451 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 25.218 4.858 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 25.103 6.157 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 26.176 4.879 0.340 1.00 0.00 H new ATOM 1851 N SER A 107 27.755 7.082 5.369 1.00 0.00 N ATOM 1852 CA SER A 107 28.874 7.973 4.952 1.00 0.00 C ATOM 1853 C SER A 107 30.193 7.200 5.013 1.00 0.00 C ATOM 1854 O SER A 107 30.259 6.238 5.761 1.00 0.00 O ATOM 1855 CB SER A 107 28.945 9.176 5.892 1.00 0.00 C ATOM 1856 OG SER A 107 27.788 9.983 5.709 1.00 0.00 O ATOM 1857 OXT SER A 107 31.114 7.583 4.310 1.00 0.00 O ATOM 0 H SER A 107 27.274 7.360 6.224 1.00 0.00 H new ATOM 0 HA SER A 107 28.702 8.318 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 107 29.009 8.840 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 107 29.844 9.758 5.690 1.00 0.00 H new ATOM 0 HG SER A 107 27.829 10.755 6.311 1.00 0.00 H new TER 1863 SER A 107