USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 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 45 ASN : amide:sc= -0.674 K(o=-4.4,f=-6.4) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 165:sc= -3.68! (180deg=-4.09!) USER MOD Set 2.1: A 46 TYR OH : rot 0:sc= -1.69! USER MOD Set 2.2: A 88 ASN : amide:sc= -5.86! C(o=-7.5!,f=-7!) USER MOD Set 3.1: A 28 SER OG : rot 89:sc= 0.814 USER MOD Set 3.2: A 39 CYS SG : rot 28:sc= 0.609 USER MOD Set 4.1: A 1 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.19) USER MOD Set 4.2: A 74 LYS NZ :NH3+ -157:sc= -0.0789 (180deg=-0.485) USER MOD Single : A 1 LYS N :NH3+ 139:sc= -0.164 (180deg=-0.929) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0211 (180deg=-0.317) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 11 LYS NZ :NH3+ -118:sc= -2.21! (180deg=-2.84) USER MOD Single : A 13 GLN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.7) 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 29 GLN : amide:sc= -0.648 K(o=-0.65,f=-0.039) 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= -4.69! C(o=-4.7!,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.9) USER MOD Single : A 44 ASN : amide:sc= -2.08 K(o=-2.1,f=0.13) USER MOD Single : A 48 ASN : amide:sc= -3.7 K(o=-3.7,f=-1.4) USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.417 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.36! (180deg=-0.417!) USER MOD Single : A 68 TYR OH : rot -106:sc= 0.373 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.17! C(o=-3.2!,f=-9.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 97:sc=-0.00846 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.14) USER MOD Single : A 86 SER OG : rot 150:sc= -1.13 USER MOD Single : A 89 ASN : amide:sc= -2.06! C(o=-2.1!,f=-2.4!) USER MOD Single : A 92 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.11) 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 HD1:sc= -0.107 X(o=-0.11,f=-0.34) USER MOD Single : A 103 LYS NZ :NH3+ -156:sc= -0.0814 (180deg=-0.526) USER MOD Single : A 104 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.0069) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 75:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.344 9.780 -5.056 1.00 0.00 N ATOM 2 CA LYS A 1 -3.347 8.391 -4.515 1.00 0.00 C ATOM 3 C LYS A 1 -4.481 8.244 -3.498 1.00 0.00 C ATOM 4 O LYS A 1 -5.459 8.963 -3.536 1.00 0.00 O ATOM 5 CB LYS A 1 -2.005 8.106 -3.834 1.00 0.00 C ATOM 6 CG LYS A 1 -1.800 9.084 -2.674 1.00 0.00 C ATOM 7 CD LYS A 1 -0.365 8.971 -2.157 1.00 0.00 C ATOM 8 CE LYS A 1 -0.213 9.801 -0.882 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.365 11.247 -1.211 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.364 10.118 -5.138 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.793 9.788 -5.994 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.873 10.404 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.497 7.682 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.983 7.080 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.192 8.204 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.999 10.103 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.505 8.866 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.121 7.928 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.335 9.321 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.963 9.503 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.763 9.620 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.338 11.800 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.217 11.388 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.322 11.563 -0.953 1.00 0.00 H new ATOM 25 N VAL A 2 -4.358 7.316 -2.587 1.00 0.00 N ATOM 26 CA VAL A 2 -5.425 7.117 -1.569 1.00 0.00 C ATOM 27 C VAL A 2 -5.767 8.455 -0.904 1.00 0.00 C ATOM 28 O VAL A 2 -4.899 9.233 -0.559 1.00 0.00 O ATOM 29 CB VAL A 2 -4.932 6.118 -0.510 1.00 0.00 C ATOM 30 CG1 VAL A 2 -5.880 6.110 0.700 1.00 0.00 C ATOM 31 CG2 VAL A 2 -4.878 4.718 -1.129 1.00 0.00 C ATOM 0 H VAL A 2 -3.560 6.686 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.320 6.725 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.939 6.414 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.518 5.398 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.916 7.106 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.880 5.820 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.529 4.004 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.874 4.431 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.193 4.721 -1.977 1.00 0.00 H new ATOM 41 N LYS A 3 -7.037 8.704 -0.711 1.00 0.00 N ATOM 42 CA LYS A 3 -7.494 9.968 -0.050 1.00 0.00 C ATOM 43 C LYS A 3 -8.052 9.616 1.329 1.00 0.00 C ATOM 44 O LYS A 3 -8.067 10.427 2.234 1.00 0.00 O ATOM 45 CB LYS A 3 -8.597 10.612 -0.894 1.00 0.00 C ATOM 46 CG LYS A 3 -8.054 10.925 -2.290 1.00 0.00 C ATOM 47 CD LYS A 3 -9.190 11.444 -3.174 1.00 0.00 C ATOM 48 CE LYS A 3 -8.637 11.806 -4.554 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.771 13.013 -4.441 1.00 0.00 N ATOM 0 H LYS A 3 -7.791 8.075 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.662 10.665 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.453 9.941 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.949 11.526 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.260 11.669 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.616 10.030 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.967 10.685 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.652 12.318 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.065 10.971 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.456 11.997 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.658 13.448 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.211 13.697 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.838 12.738 -4.072 1.00 0.00 H new ATOM 63 N PHE A 4 -8.514 8.403 1.488 1.00 0.00 N ATOM 64 CA PHE A 4 -9.080 7.969 2.798 1.00 0.00 C ATOM 65 C PHE A 4 -7.947 7.613 3.766 1.00 0.00 C ATOM 66 O PHE A 4 -6.822 7.382 3.369 1.00 0.00 O ATOM 67 CB PHE A 4 -10.003 6.764 2.604 1.00 0.00 C ATOM 68 CG PHE A 4 -9.380 5.758 1.659 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.492 4.785 2.140 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.708 5.791 0.299 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.934 3.851 1.255 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.151 4.857 -0.581 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.267 3.888 -0.105 1.00 0.00 C ATOM 0 H PHE A 4 -8.523 7.689 0.759 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.661 8.790 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.200 6.292 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.963 7.095 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.238 4.755 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.393 6.539 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.247 3.103 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.406 4.886 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.839 3.166 -0.785 1.00 0.00 H new ATOM 83 N THR A 5 -8.241 7.585 5.042 1.00 0.00 N ATOM 84 CA THR A 5 -7.199 7.266 6.062 1.00 0.00 C ATOM 85 C THR A 5 -7.107 5.760 6.266 1.00 0.00 C ATOM 86 O THR A 5 -8.003 5.008 5.929 1.00 0.00 O ATOM 87 CB THR A 5 -7.541 7.928 7.394 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.669 7.431 8.401 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.983 7.613 7.770 1.00 0.00 C ATOM 0 H THR A 5 -9.169 7.772 5.423 1.00 0.00 H new ATOM 0 HA THR A 5 -6.242 7.645 5.703 1.00 0.00 H new ATOM 0 HB THR A 5 -7.422 9.008 7.304 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.884 7.855 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.223 8.088 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.652 7.992 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.108 6.534 7.861 1.00 0.00 H new ATOM 97 N GLU A 6 -6.020 5.324 6.820 1.00 0.00 N ATOM 98 CA GLU A 6 -5.822 3.868 7.068 1.00 0.00 C ATOM 99 C GLU A 6 -7.077 3.274 7.715 1.00 0.00 C ATOM 100 O GLU A 6 -7.494 2.188 7.381 1.00 0.00 O ATOM 101 CB GLU A 6 -4.626 3.669 8.002 1.00 0.00 C ATOM 102 CG GLU A 6 -3.406 4.394 7.431 1.00 0.00 C ATOM 103 CD GLU A 6 -2.181 4.092 8.296 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.310 4.141 9.508 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.135 3.814 7.731 1.00 0.00 O ATOM 0 H GLU A 6 -5.246 5.918 7.118 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.635 3.365 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.859 4.053 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.411 2.606 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.227 4.074 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.588 5.468 7.403 1.00 0.00 H new ATOM 112 N GLU A 7 -7.685 3.979 8.635 1.00 0.00 N ATOM 113 CA GLU A 7 -8.914 3.444 9.301 1.00 0.00 C ATOM 114 C GLU A 7 -9.905 2.950 8.238 1.00 0.00 C ATOM 115 O GLU A 7 -10.545 1.921 8.389 1.00 0.00 O ATOM 116 CB GLU A 7 -9.569 4.552 10.134 1.00 0.00 C ATOM 117 CG GLU A 7 -8.504 5.253 10.981 1.00 0.00 C ATOM 118 CD GLU A 7 -9.183 6.177 11.993 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.093 6.889 11.599 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.784 6.159 13.146 1.00 0.00 O ATOM 0 H GLU A 7 -7.385 4.900 8.954 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.638 2.614 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.060 5.272 9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.340 4.130 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.893 4.515 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.835 5.827 10.340 1.00 0.00 H new ATOM 127 N GLU A 8 -10.028 3.662 7.155 1.00 0.00 N ATOM 128 CA GLU A 8 -10.964 3.220 6.093 1.00 0.00 C ATOM 129 C GLU A 8 -10.421 1.929 5.491 1.00 0.00 C ATOM 130 O GLU A 8 -11.142 0.975 5.277 1.00 0.00 O ATOM 131 CB GLU A 8 -11.046 4.298 5.012 1.00 0.00 C ATOM 132 CG GLU A 8 -12.323 4.131 4.181 1.00 0.00 C ATOM 133 CD GLU A 8 -12.267 2.810 3.412 1.00 0.00 C ATOM 134 OE1 GLU A 8 -11.183 2.431 2.999 1.00 0.00 O ATOM 135 OE2 GLU A 8 -13.311 2.200 3.246 1.00 0.00 O ATOM 0 H GLU A 8 -9.523 4.527 6.962 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.960 3.053 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.032 5.285 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.172 4.237 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.197 4.147 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.428 4.964 3.486 1.00 0.00 H new ATOM 142 N ASP A 9 -9.139 1.901 5.218 1.00 0.00 N ATOM 143 CA ASP A 9 -8.517 0.674 4.628 1.00 0.00 C ATOM 144 C ASP A 9 -9.003 -0.561 5.397 1.00 0.00 C ATOM 145 O ASP A 9 -9.151 -1.640 4.851 1.00 0.00 O ATOM 146 CB ASP A 9 -6.992 0.768 4.735 1.00 0.00 C ATOM 147 CG ASP A 9 -6.357 -0.348 3.905 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.221 -0.165 2.706 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.018 -1.369 4.482 1.00 0.00 O ATOM 0 H ASP A 9 -8.496 2.676 5.379 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.803 0.591 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.650 1.740 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.683 0.683 5.777 1.00 0.00 H new ATOM 154 N LEU A 10 -9.271 -0.394 6.661 1.00 0.00 N ATOM 155 CA LEU A 10 -9.766 -1.534 7.479 1.00 0.00 C ATOM 156 C LEU A 10 -11.220 -1.794 7.088 1.00 0.00 C ATOM 157 O LEU A 10 -11.671 -2.923 7.014 1.00 0.00 O ATOM 158 CB LEU A 10 -9.672 -1.188 8.982 1.00 0.00 C ATOM 159 CG LEU A 10 -8.454 -0.298 9.241 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.337 -0.016 10.737 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.182 -0.995 8.743 1.00 0.00 C ATOM 0 H LEU A 10 -9.168 0.487 7.165 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.161 -2.423 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.580 -0.678 9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.595 -2.103 9.570 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.576 0.643 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.470 0.618 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.237 0.492 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.221 -0.956 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.319 -0.356 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.055 -1.940 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.267 -1.185 7.673 1.00 0.00 H new ATOM 173 N LYS A 11 -11.952 -0.748 6.814 1.00 0.00 N ATOM 174 CA LYS A 11 -13.365 -0.923 6.406 1.00 0.00 C ATOM 175 C LYS A 11 -13.385 -1.791 5.150 1.00 0.00 C ATOM 176 O LYS A 11 -14.249 -2.620 4.961 1.00 0.00 O ATOM 177 CB LYS A 11 -13.976 0.451 6.111 1.00 0.00 C ATOM 178 CG LYS A 11 -15.492 0.323 6.017 1.00 0.00 C ATOM 179 CD LYS A 11 -16.096 1.661 5.584 1.00 0.00 C ATOM 180 CE LYS A 11 -17.618 1.607 5.730 1.00 0.00 C ATOM 181 NZ LYS A 11 -18.170 0.591 4.790 1.00 0.00 N ATOM 0 H LYS A 11 -11.628 0.218 6.857 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.944 -1.400 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.708 1.157 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.575 0.846 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.757 -0.455 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.902 0.023 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.690 2.469 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.827 1.875 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.887 1.354 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.049 2.586 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.804 1.056 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.390 0.131 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.702 -0.125 5.325 1.00 0.00 H new ATOM 195 N LEU A 12 -12.414 -1.613 4.302 1.00 0.00 N ATOM 196 CA LEU A 12 -12.340 -2.422 3.068 1.00 0.00 C ATOM 197 C LEU A 12 -12.204 -3.890 3.448 1.00 0.00 C ATOM 198 O LEU A 12 -12.872 -4.739 2.920 1.00 0.00 O ATOM 199 CB LEU A 12 -11.116 -1.993 2.261 1.00 0.00 C ATOM 200 CG LEU A 12 -11.076 -0.468 2.146 1.00 0.00 C ATOM 201 CD1 LEU A 12 -9.875 -0.061 1.281 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.378 0.042 1.510 1.00 0.00 C ATOM 0 H LEU A 12 -11.663 -0.933 4.417 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.241 -2.276 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.207 -2.354 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.149 -2.440 1.268 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.976 -0.028 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.840 1.025 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.955 -0.418 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.976 -0.501 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.343 1.129 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.491 -0.391 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.225 -0.250 2.131 1.00 0.00 H new ATOM 214 N GLN A 13 -11.346 -4.202 4.370 1.00 0.00 N ATOM 215 CA GLN A 13 -11.184 -5.634 4.754 1.00 0.00 C ATOM 216 C GLN A 13 -12.560 -6.222 5.097 1.00 0.00 C ATOM 217 O GLN A 13 -12.847 -7.367 4.815 1.00 0.00 O ATOM 218 CB GLN A 13 -10.257 -5.716 5.979 1.00 0.00 C ATOM 219 CG GLN A 13 -10.164 -7.158 6.505 1.00 0.00 C ATOM 220 CD GLN A 13 -9.698 -8.091 5.387 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.531 -8.417 5.298 1.00 0.00 O ATOM 222 NE2 GLN A 13 -10.567 -8.539 4.525 1.00 0.00 N ATOM 0 H GLN A 13 -10.754 -3.540 4.872 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.749 -6.200 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.263 -5.358 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.630 -5.061 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.468 -7.204 7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.135 -7.481 6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.547 -8.265 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.267 -9.163 3.776 1.00 0.00 H new ATOM 231 N GLN A 14 -13.422 -5.448 5.689 1.00 0.00 N ATOM 232 CA GLN A 14 -14.780 -5.974 6.044 1.00 0.00 C ATOM 233 C GLN A 14 -15.731 -5.929 4.841 1.00 0.00 C ATOM 234 O GLN A 14 -16.298 -6.928 4.451 1.00 0.00 O ATOM 235 CB GLN A 14 -15.381 -5.127 7.153 1.00 0.00 C ATOM 236 CG GLN A 14 -14.412 -5.058 8.335 1.00 0.00 C ATOM 237 CD GLN A 14 -15.065 -4.293 9.488 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.806 -3.355 9.267 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.820 -4.656 10.717 1.00 0.00 N ATOM 0 H GLN A 14 -13.252 -4.475 5.945 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.659 -7.009 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.591 -4.123 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.331 -5.553 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.144 -6.064 8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.489 -4.563 8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.198 -5.443 10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.250 -4.153 11.493 1.00 0.00 H new ATOM 248 N LEU A 15 -15.935 -4.777 4.265 1.00 0.00 N ATOM 249 CA LEU A 15 -16.871 -4.688 3.110 1.00 0.00 C ATOM 250 C LEU A 15 -16.361 -5.606 1.999 1.00 0.00 C ATOM 251 O LEU A 15 -17.085 -6.431 1.479 1.00 0.00 O ATOM 252 CB LEU A 15 -16.939 -3.228 2.604 1.00 0.00 C ATOM 253 CG LEU A 15 -17.833 -2.328 3.507 1.00 0.00 C ATOM 254 CD1 LEU A 15 -19.317 -2.487 3.137 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.635 -2.654 4.998 1.00 0.00 C ATOM 0 H LEU A 15 -15.497 -3.898 4.542 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.871 -4.997 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.932 -2.813 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.328 -3.217 1.586 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.530 -1.295 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -19.923 -1.849 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -19.466 -2.198 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.616 -3.527 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.274 -2.008 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.898 -3.696 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.593 -2.490 5.271 1.00 0.00 H new ATOM 267 N VAL A 16 -15.117 -5.477 1.645 1.00 0.00 N ATOM 268 CA VAL A 16 -14.553 -6.342 0.580 1.00 0.00 C ATOM 269 C VAL A 16 -14.720 -7.805 0.979 1.00 0.00 C ATOM 270 O VAL A 16 -14.925 -8.659 0.142 1.00 0.00 O ATOM 271 CB VAL A 16 -13.070 -6.034 0.384 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.535 -6.851 -0.786 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.887 -4.542 0.084 1.00 0.00 C ATOM 0 H VAL A 16 -14.464 -4.806 2.050 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.081 -6.151 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.525 -6.290 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.477 -6.633 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.662 -7.913 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.084 -6.592 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.828 -4.326 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.432 -4.284 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.271 -3.954 0.917 1.00 0.00 H new ATOM 283 N MET A 17 -14.646 -8.116 2.249 1.00 0.00 N ATOM 284 CA MET A 17 -14.821 -9.531 2.651 1.00 0.00 C ATOM 285 C MET A 17 -16.260 -9.942 2.326 1.00 0.00 C ATOM 286 O MET A 17 -16.535 -11.082 2.008 1.00 0.00 O ATOM 287 CB MET A 17 -14.533 -9.676 4.152 1.00 0.00 C ATOM 288 CG MET A 17 -15.005 -11.041 4.653 1.00 0.00 C ATOM 289 SD MET A 17 -14.296 -11.365 6.286 1.00 0.00 S ATOM 290 CE MET A 17 -15.501 -12.606 6.816 1.00 0.00 C ATOM 0 H MET A 17 -14.474 -7.458 3.009 1.00 0.00 H new ATOM 0 HA MET A 17 -14.129 -10.178 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.465 -9.563 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.038 -8.884 4.704 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.093 -11.064 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.704 -11.821 3.953 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.250 -12.951 7.819 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.498 -12.166 6.822 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.482 -13.450 6.126 1.00 0.00 H new ATOM 300 N ARG A 18 -17.183 -9.016 2.397 1.00 0.00 N ATOM 301 CA ARG A 18 -18.604 -9.350 2.084 1.00 0.00 C ATOM 302 C ARG A 18 -18.805 -9.388 0.563 1.00 0.00 C ATOM 303 O ARG A 18 -19.658 -10.094 0.062 1.00 0.00 O ATOM 304 CB ARG A 18 -19.520 -8.284 2.689 1.00 0.00 C ATOM 305 CG ARG A 18 -20.978 -8.731 2.560 1.00 0.00 C ATOM 306 CD ARG A 18 -21.894 -7.664 3.162 1.00 0.00 C ATOM 307 NE ARG A 18 -23.291 -8.181 3.215 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.988 -8.290 2.117 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.464 -7.947 0.973 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.212 -8.743 2.165 1.00 0.00 N ATOM 0 H ARG A 18 -17.013 -8.045 2.658 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.846 -10.326 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.268 -8.126 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.374 -7.332 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.229 -8.891 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.125 -9.682 3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.554 -7.401 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.854 -6.755 2.562 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.702 -8.449 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.508 -7.593 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.010 -8.033 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.622 -9.011 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -25.758 -8.829 1.308 1.00 0.00 H new ATOM 324 N TYR A 19 -18.029 -8.628 -0.177 1.00 0.00 N ATOM 325 CA TYR A 19 -18.171 -8.603 -1.673 1.00 0.00 C ATOM 326 C TYR A 19 -17.070 -9.450 -2.315 1.00 0.00 C ATOM 327 O TYR A 19 -17.037 -9.632 -3.517 1.00 0.00 O ATOM 328 CB TYR A 19 -18.033 -7.163 -2.166 1.00 0.00 C ATOM 329 CG TYR A 19 -19.116 -6.313 -1.536 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.456 -6.545 -1.862 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.786 -5.302 -0.620 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.464 -5.771 -1.279 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.795 -4.532 -0.036 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.135 -4.765 -0.364 1.00 0.00 C ATOM 335 OH TYR A 19 -22.130 -4.004 0.214 1.00 0.00 O ATOM 0 H TYR A 19 -17.298 -8.020 0.193 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.147 -9.005 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.050 -6.770 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.114 -7.129 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.713 -7.323 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.752 -5.119 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.498 -5.950 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.540 -3.755 0.670 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.729 -3.352 0.826 1.00 0.00 H new ATOM 345 N GLY A 20 -16.165 -9.959 -1.529 1.00 0.00 N ATOM 346 CA GLY A 20 -15.058 -10.782 -2.091 1.00 0.00 C ATOM 347 C GLY A 20 -13.991 -9.855 -2.667 1.00 0.00 C ATOM 348 O GLY A 20 -12.904 -9.751 -2.139 1.00 0.00 O ATOM 0 H GLY A 20 -16.144 -9.840 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.628 -11.414 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.439 -11.445 -2.867 1.00 0.00 H new ATOM 352 N ALA A 21 -14.315 -9.178 -3.743 1.00 0.00 N ATOM 353 CA ALA A 21 -13.354 -8.229 -4.402 1.00 0.00 C ATOM 354 C ALA A 21 -13.807 -7.998 -5.851 1.00 0.00 C ATOM 355 O ALA A 21 -13.040 -8.133 -6.784 1.00 0.00 O ATOM 356 CB ALA A 21 -11.921 -8.807 -4.382 1.00 0.00 C ATOM 0 H ALA A 21 -15.223 -9.243 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.346 -7.284 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.239 -8.106 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.608 -8.967 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.904 -9.756 -4.918 1.00 0.00 H new ATOM 362 N LYS A 22 -15.054 -7.656 -6.053 1.00 0.00 N ATOM 363 CA LYS A 22 -15.549 -7.426 -7.450 1.00 0.00 C ATOM 364 C LYS A 22 -16.689 -6.393 -7.475 1.00 0.00 C ATOM 365 O LYS A 22 -16.971 -5.816 -8.506 1.00 0.00 O ATOM 366 CB LYS A 22 -16.066 -8.746 -8.026 1.00 0.00 C ATOM 367 CG LYS A 22 -14.914 -9.750 -8.155 1.00 0.00 C ATOM 368 CD LYS A 22 -15.358 -10.934 -9.020 1.00 0.00 C ATOM 369 CE LYS A 22 -14.190 -11.907 -9.190 1.00 0.00 C ATOM 370 NZ LYS A 22 -14.562 -12.960 -10.177 1.00 0.00 N ATOM 0 H LYS A 22 -15.749 -7.526 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.720 -7.045 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.844 -9.154 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.520 -8.573 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.045 -9.266 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.612 -10.101 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.203 -11.441 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.695 -10.580 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.303 -11.372 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.940 -12.363 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.769 -13.622 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.397 -13.477 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.780 -12.517 -11.092 1.00 0.00 H new ATOM 384 N ASP A 23 -17.347 -6.147 -6.363 1.00 0.00 N ATOM 385 CA ASP A 23 -18.464 -5.147 -6.347 1.00 0.00 C ATOM 386 C ASP A 23 -17.934 -3.824 -5.798 1.00 0.00 C ATOM 387 O ASP A 23 -18.536 -3.200 -4.946 1.00 0.00 O ATOM 388 CB ASP A 23 -19.601 -5.661 -5.451 1.00 0.00 C ATOM 389 CG ASP A 23 -19.814 -7.154 -5.707 1.00 0.00 C ATOM 390 OD1 ASP A 23 -18.870 -7.907 -5.528 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.917 -7.521 -6.079 1.00 0.00 O ATOM 0 H ASP A 23 -17.158 -6.596 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.845 -5.000 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.357 -5.492 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.519 -5.111 -5.658 1.00 0.00 H new ATOM 396 N TRP A 24 -16.811 -3.396 -6.291 1.00 0.00 N ATOM 397 CA TRP A 24 -16.225 -2.113 -5.818 1.00 0.00 C ATOM 398 C TRP A 24 -17.145 -0.966 -6.216 1.00 0.00 C ATOM 399 O TRP A 24 -17.071 0.123 -5.682 1.00 0.00 O ATOM 400 CB TRP A 24 -14.848 -1.936 -6.452 1.00 0.00 C ATOM 401 CG TRP A 24 -14.021 -3.114 -6.080 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.911 -4.256 -6.795 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.206 -3.290 -4.897 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.072 -5.123 -6.120 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.611 -4.568 -4.939 1.00 0.00 C ATOM 406 CE3 TRP A 24 -12.932 -2.461 -3.804 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.768 -5.012 -3.920 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.085 -2.897 -2.778 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.503 -4.170 -2.834 1.00 0.00 C ATOM 0 H TRP A 24 -16.269 -3.881 -7.006 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.121 -2.120 -4.733 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.934 -1.857 -7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.381 -1.016 -6.101 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.398 -4.458 -7.738 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.824 -6.055 -6.451 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.377 -1.478 -3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.324 -5.995 -3.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -11.879 -2.249 -1.939 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.850 -4.501 -2.040 1.00 0.00 H new ATOM 420 N ILE A 25 -18.034 -1.214 -7.132 1.00 0.00 N ATOM 421 CA ILE A 25 -18.987 -0.158 -7.549 1.00 0.00 C ATOM 422 C ILE A 25 -19.987 0.038 -6.416 1.00 0.00 C ATOM 423 O ILE A 25 -20.467 1.123 -6.171 1.00 0.00 O ATOM 424 CB ILE A 25 -19.721 -0.590 -8.829 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.123 -2.066 -8.724 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.803 -0.404 -10.041 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.078 -2.417 -9.867 1.00 0.00 C ATOM 0 H ILE A 25 -18.141 -2.108 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.459 0.773 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.614 0.024 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.237 -2.699 -8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.603 -2.256 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.328 -0.712 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.519 0.645 -10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.908 -1.013 -9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.364 -3.466 -9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.969 -1.792 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.582 -2.243 -10.822 1.00 0.00 H new ATOM 439 N ARG A 26 -20.289 -1.016 -5.712 1.00 0.00 N ATOM 440 CA ARG A 26 -21.245 -0.916 -4.584 1.00 0.00 C ATOM 441 C ARG A 26 -20.505 -0.328 -3.387 1.00 0.00 C ATOM 442 O ARG A 26 -20.956 0.603 -2.753 1.00 0.00 O ATOM 443 CB ARG A 26 -21.774 -2.327 -4.252 1.00 0.00 C ATOM 444 CG ARG A 26 -23.151 -2.245 -3.573 1.00 0.00 C ATOM 445 CD ARG A 26 -23.042 -1.513 -2.227 1.00 0.00 C ATOM 446 NE ARG A 26 -24.208 -1.878 -1.374 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.393 -1.407 -1.652 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.558 -0.616 -2.677 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.414 -1.728 -0.904 1.00 0.00 N ATOM 0 H ARG A 26 -19.909 -1.949 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.090 -0.276 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.848 -2.917 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.070 -2.840 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.853 -1.722 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.547 -3.248 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.112 -1.783 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.017 -0.435 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.080 -2.496 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.760 -0.366 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -26.484 -0.248 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.285 -2.346 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -27.340 -1.360 -1.121 1.00 0.00 H new ATOM 463 N ILE A 27 -19.359 -0.864 -3.079 1.00 0.00 N ATOM 464 CA ILE A 27 -18.585 -0.336 -1.932 1.00 0.00 C ATOM 465 C ILE A 27 -18.341 1.158 -2.130 1.00 0.00 C ATOM 466 O ILE A 27 -18.327 1.928 -1.188 1.00 0.00 O ATOM 467 CB ILE A 27 -17.238 -1.054 -1.841 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.470 -2.569 -1.760 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.499 -0.574 -0.588 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.130 -3.317 -1.828 1.00 0.00 C ATOM 0 H ILE A 27 -18.928 -1.645 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.148 -0.502 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.639 -0.832 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.986 -2.816 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.115 -2.889 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.537 -1.082 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.338 0.502 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.096 -0.800 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.309 -4.391 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.630 -3.083 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.498 -3.009 -0.995 1.00 0.00 H new ATOM 482 N SER A 28 -18.138 1.572 -3.349 1.00 0.00 N ATOM 483 CA SER A 28 -17.882 3.015 -3.609 1.00 0.00 C ATOM 484 C SER A 28 -19.185 3.804 -3.471 1.00 0.00 C ATOM 485 O SER A 28 -19.182 4.968 -3.128 1.00 0.00 O ATOM 486 CB SER A 28 -17.319 3.182 -5.018 1.00 0.00 C ATOM 487 OG SER A 28 -16.006 2.639 -5.064 1.00 0.00 O ATOM 0 H SER A 28 -18.138 0.974 -4.175 1.00 0.00 H new ATOM 0 HA SER A 28 -17.161 3.394 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.960 2.677 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.299 4.237 -5.292 1.00 0.00 H new ATOM 0 HG SER A 28 -16.053 1.687 -5.293 1.00 0.00 H new ATOM 493 N GLN A 29 -20.302 3.183 -3.732 1.00 0.00 N ATOM 494 CA GLN A 29 -21.598 3.913 -3.610 1.00 0.00 C ATOM 495 C GLN A 29 -21.822 4.303 -2.145 1.00 0.00 C ATOM 496 O GLN A 29 -22.304 5.377 -1.847 1.00 0.00 O ATOM 497 CB GLN A 29 -22.745 3.013 -4.104 1.00 0.00 C ATOM 498 CG GLN A 29 -22.799 3.021 -5.647 1.00 0.00 C ATOM 499 CD GLN A 29 -23.566 4.254 -6.140 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.743 4.173 -6.432 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.945 5.396 -6.246 1.00 0.00 N ATOM 0 H GLN A 29 -20.375 2.208 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.573 4.816 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.600 1.995 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.694 3.364 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.788 3.025 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.284 2.113 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.957 5.464 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -23.447 6.221 -6.574 1.00 0.00 H new ATOM 510 N LEU A 30 -21.467 3.445 -1.229 1.00 0.00 N ATOM 511 CA LEU A 30 -21.654 3.785 0.210 1.00 0.00 C ATOM 512 C LEU A 30 -20.698 4.921 0.577 1.00 0.00 C ATOM 513 O LEU A 30 -21.069 5.868 1.243 1.00 0.00 O ATOM 514 CB LEU A 30 -21.352 2.554 1.078 1.00 0.00 C ATOM 515 CG LEU A 30 -21.978 1.306 0.450 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.754 0.111 1.378 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.484 1.523 0.243 1.00 0.00 C ATOM 0 H LEU A 30 -21.058 2.529 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.684 4.097 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.274 2.422 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.746 2.702 2.084 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.512 1.114 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.198 -0.781 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.684 -0.046 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.220 0.308 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.922 0.631 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.959 1.718 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.641 2.375 -0.418 1.00 0.00 H new ATOM 529 N MET A 31 -19.465 4.823 0.139 1.00 0.00 N ATOM 530 CA MET A 31 -18.444 5.882 0.442 1.00 0.00 C ATOM 531 C MET A 31 -17.909 6.467 -0.863 1.00 0.00 C ATOM 532 O MET A 31 -16.760 6.295 -1.202 1.00 0.00 O ATOM 533 CB MET A 31 -17.288 5.255 1.225 1.00 0.00 C ATOM 534 CG MET A 31 -17.766 4.872 2.627 1.00 0.00 C ATOM 535 SD MET A 31 -18.038 6.373 3.602 1.00 0.00 S ATOM 536 CE MET A 31 -19.273 5.691 4.734 1.00 0.00 C ATOM 0 H MET A 31 -19.117 4.046 -0.422 1.00 0.00 H new ATOM 0 HA MET A 31 -18.905 6.674 1.032 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.918 4.373 0.702 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.458 5.958 1.292 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.688 4.295 2.563 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.026 4.238 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 31 -19.587 6.462 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 31 -20.136 5.345 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 31 -18.841 4.854 5.283 1.00 0.00 H new ATOM 546 N ILE A 32 -18.731 7.171 -1.595 1.00 0.00 N ATOM 547 CA ILE A 32 -18.262 7.778 -2.877 1.00 0.00 C ATOM 548 C ILE A 32 -16.992 8.602 -2.620 1.00 0.00 C ATOM 549 O ILE A 32 -16.355 9.081 -3.538 1.00 0.00 O ATOM 550 CB ILE A 32 -19.370 8.686 -3.464 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.770 8.058 -3.199 1.00 0.00 C ATOM 552 CG2 ILE A 32 -19.149 8.850 -4.977 1.00 0.00 C ATOM 553 CD1 ILE A 32 -21.334 8.504 -1.831 1.00 0.00 C ATOM 0 H ILE A 32 -19.707 7.353 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.038 6.986 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.326 9.663 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.458 8.351 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.695 6.971 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.929 9.489 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -18.174 9.304 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.187 7.873 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -22.312 8.049 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.656 8.188 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.432 9.589 -1.814 1.00 0.00 H new ATOM 565 N THR A 33 -16.623 8.773 -1.379 1.00 0.00 N ATOM 566 CA THR A 33 -15.404 9.564 -1.058 1.00 0.00 C ATOM 567 C THR A 33 -14.223 9.069 -1.895 1.00 0.00 C ATOM 568 O THR A 33 -13.212 9.736 -1.999 1.00 0.00 O ATOM 569 CB THR A 33 -15.076 9.410 0.430 1.00 0.00 C ATOM 570 OG1 THR A 33 -16.212 9.772 1.202 1.00 0.00 O ATOM 571 CG2 THR A 33 -13.898 10.315 0.796 1.00 0.00 C ATOM 0 H THR A 33 -17.118 8.396 -0.571 1.00 0.00 H new ATOM 0 HA THR A 33 -15.587 10.614 -1.287 1.00 0.00 H new ATOM 0 HB THR A 33 -14.809 8.374 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.005 9.673 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.668 10.202 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.027 10.035 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.159 11.353 0.590 1.00 0.00 H new ATOM 579 N ARG A 34 -14.337 7.906 -2.502 1.00 0.00 N ATOM 580 CA ARG A 34 -13.206 7.378 -3.345 1.00 0.00 C ATOM 581 C ARG A 34 -13.765 6.708 -4.603 1.00 0.00 C ATOM 582 O ARG A 34 -14.961 6.556 -4.758 1.00 0.00 O ATOM 583 CB ARG A 34 -12.353 6.385 -2.518 1.00 0.00 C ATOM 584 CG ARG A 34 -12.993 4.985 -2.439 1.00 0.00 C ATOM 585 CD ARG A 34 -14.418 5.082 -1.895 1.00 0.00 C ATOM 586 NE ARG A 34 -14.417 5.862 -0.622 1.00 0.00 N ATOM 587 CZ ARG A 34 -14.053 5.291 0.495 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.684 4.038 0.498 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.058 5.970 1.609 1.00 0.00 N ATOM 0 H ARG A 34 -15.158 7.302 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.565 8.204 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.361 6.304 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.219 6.778 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.005 4.527 -3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.394 4.340 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.066 5.564 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.820 4.084 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.701 6.842 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.680 3.505 -0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.400 3.592 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.346 6.948 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.773 5.522 2.480 1.00 0.00 H new ATOM 603 N ASN A 35 -12.902 6.309 -5.509 1.00 0.00 N ATOM 604 CA ASN A 35 -13.366 5.645 -6.769 1.00 0.00 C ATOM 605 C ASN A 35 -13.142 4.128 -6.647 1.00 0.00 C ATOM 606 O ASN A 35 -12.232 3.698 -5.968 1.00 0.00 O ATOM 607 CB ASN A 35 -12.553 6.184 -7.952 1.00 0.00 C ATOM 608 CG ASN A 35 -12.533 7.713 -7.901 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.897 8.368 -8.857 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.119 8.312 -6.819 1.00 0.00 N ATOM 0 H ASN A 35 -11.891 6.416 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.424 5.850 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.536 5.795 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.990 5.846 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.101 9.331 -6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.813 7.762 -6.016 1.00 0.00 H new ATOM 617 N PRO A 36 -13.944 3.310 -7.295 1.00 0.00 N ATOM 618 CA PRO A 36 -13.771 1.830 -7.227 1.00 0.00 C ATOM 619 C PRO A 36 -12.295 1.425 -7.351 1.00 0.00 C ATOM 620 O PRO A 36 -11.816 0.542 -6.668 1.00 0.00 O ATOM 621 CB PRO A 36 -14.575 1.326 -8.435 1.00 0.00 C ATOM 622 CG PRO A 36 -15.670 2.332 -8.609 1.00 0.00 C ATOM 623 CD PRO A 36 -15.089 3.682 -8.155 1.00 0.00 C ATOM 0 HA PRO A 36 -14.106 1.413 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.951 1.261 -9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.978 0.329 -8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.995 2.378 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.543 2.064 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.770 4.285 -9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.826 4.269 -7.606 1.00 0.00 H new ATOM 631 N ARG A 37 -11.585 2.067 -8.237 1.00 0.00 N ATOM 632 CA ARG A 37 -10.147 1.739 -8.444 1.00 0.00 C ATOM 633 C ARG A 37 -9.323 2.160 -7.222 1.00 0.00 C ATOM 634 O ARG A 37 -8.278 1.607 -6.948 1.00 0.00 O ATOM 635 CB ARG A 37 -9.635 2.487 -9.676 1.00 0.00 C ATOM 636 CG ARG A 37 -10.408 2.024 -10.912 1.00 0.00 C ATOM 637 CD ARG A 37 -9.970 2.844 -12.126 1.00 0.00 C ATOM 638 NE ARG A 37 -8.487 2.783 -12.258 1.00 0.00 N ATOM 639 CZ ARG A 37 -7.911 1.682 -12.657 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.632 0.633 -12.942 1.00 0.00 N ATOM 641 NH2 ARG A 37 -6.611 1.629 -12.770 1.00 0.00 N ATOM 0 H ARG A 37 -11.944 2.813 -8.833 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.045 0.663 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.757 3.561 -9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.569 2.302 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.227 0.964 -11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.479 2.141 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.442 2.457 -13.029 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.294 3.879 -12.015 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.922 3.602 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.647 0.673 -12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.180 -0.227 -13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.046 2.448 -12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.161 0.768 -13.082 1.00 0.00 H new ATOM 655 N GLN A 38 -9.771 3.151 -6.500 1.00 0.00 N ATOM 656 CA GLN A 38 -8.995 3.626 -5.316 1.00 0.00 C ATOM 657 C GLN A 38 -9.102 2.639 -4.151 1.00 0.00 C ATOM 658 O GLN A 38 -8.159 2.455 -3.411 1.00 0.00 O ATOM 659 CB GLN A 38 -9.529 4.991 -4.878 1.00 0.00 C ATOM 660 CG GLN A 38 -9.169 6.049 -5.929 1.00 0.00 C ATOM 661 CD GLN A 38 -7.676 6.377 -5.843 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.858 5.698 -6.432 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.287 7.397 -5.130 1.00 0.00 N ATOM 0 H GLN A 38 -10.641 3.653 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.946 3.705 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.610 4.945 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.105 5.265 -3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.414 5.683 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.759 6.951 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.975 7.966 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.295 7.626 -5.066 1.00 0.00 H new ATOM 672 N CYS A 39 -10.229 2.004 -3.959 1.00 0.00 N ATOM 673 CA CYS A 39 -10.352 1.043 -2.829 1.00 0.00 C ATOM 674 C CYS A 39 -9.896 -0.334 -3.312 1.00 0.00 C ATOM 675 O CYS A 39 -9.448 -1.160 -2.541 1.00 0.00 O ATOM 676 CB CYS A 39 -11.813 1.000 -2.382 1.00 0.00 C ATOM 677 SG CYS A 39 -12.891 1.180 -3.825 1.00 0.00 S ATOM 0 H CYS A 39 -11.065 2.110 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.732 1.348 -1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.021 0.058 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.009 1.798 -1.666 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.284 0.723 -4.880 1.00 0.00 H new ATOM 683 N ARG A 40 -9.990 -0.574 -4.586 1.00 0.00 N ATOM 684 CA ARG A 40 -9.544 -1.885 -5.132 1.00 0.00 C ATOM 685 C ARG A 40 -8.021 -1.924 -5.061 1.00 0.00 C ATOM 686 O ARG A 40 -7.422 -2.954 -4.825 1.00 0.00 O ATOM 687 CB ARG A 40 -10.019 -1.998 -6.589 1.00 0.00 C ATOM 688 CG ARG A 40 -9.300 -3.130 -7.356 1.00 0.00 C ATOM 689 CD ARG A 40 -9.510 -4.477 -6.665 1.00 0.00 C ATOM 690 NE ARG A 40 -8.937 -5.559 -7.514 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.556 -5.936 -8.601 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.680 -5.368 -8.943 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.051 -6.883 -9.344 1.00 0.00 N ATOM 0 H ARG A 40 -10.357 0.081 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.959 -2.717 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.094 -2.178 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.846 -1.050 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.677 -3.178 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.234 -2.912 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.031 -4.475 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.573 -4.653 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.060 -6.006 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.076 -4.629 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.163 -5.663 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.173 -7.328 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.534 -7.178 -10.193 1.00 0.00 H new ATOM 707 N GLU A 41 -7.389 -0.801 -5.262 1.00 0.00 N ATOM 708 CA GLU A 41 -5.908 -0.780 -5.203 1.00 0.00 C ATOM 709 C GLU A 41 -5.483 -1.230 -3.804 1.00 0.00 C ATOM 710 O GLU A 41 -4.413 -1.775 -3.616 1.00 0.00 O ATOM 711 CB GLU A 41 -5.385 0.642 -5.534 1.00 0.00 C ATOM 712 CG GLU A 41 -5.286 1.518 -4.267 1.00 0.00 C ATOM 713 CD GLU A 41 -5.275 3.001 -4.652 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.524 3.357 -5.546 1.00 0.00 O ATOM 715 OE2 GLU A 41 -6.018 3.756 -4.046 1.00 0.00 O ATOM 0 H GLU A 41 -7.833 0.095 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.480 -1.459 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.405 0.570 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.051 1.117 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.128 1.312 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.379 1.271 -3.714 1.00 0.00 H new ATOM 722 N ARG A 42 -6.321 -1.017 -2.821 1.00 0.00 N ATOM 723 CA ARG A 42 -5.949 -1.455 -1.442 1.00 0.00 C ATOM 724 C ARG A 42 -6.025 -2.980 -1.367 1.00 0.00 C ATOM 725 O ARG A 42 -5.250 -3.618 -0.683 1.00 0.00 O ATOM 726 CB ARG A 42 -6.913 -0.846 -0.422 1.00 0.00 C ATOM 727 CG ARG A 42 -6.781 0.685 -0.416 1.00 0.00 C ATOM 728 CD ARG A 42 -5.373 1.118 0.050 1.00 0.00 C ATOM 729 NE ARG A 42 -4.463 1.213 -1.126 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.269 1.725 -0.986 1.00 0.00 C ATOM 731 NH1 ARG A 42 -2.878 2.160 0.181 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.466 1.801 -2.012 1.00 0.00 N ATOM 0 H ARG A 42 -7.232 -0.566 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.936 -1.121 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.937 -1.129 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.700 -1.241 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.972 1.074 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.535 1.116 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.428 2.080 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.980 0.399 0.769 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.772 0.879 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.505 2.100 0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.946 2.560 0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.770 1.461 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.534 2.201 -1.902 1.00 0.00 H new ATOM 746 N TRP A 43 -6.958 -3.567 -2.063 1.00 0.00 N ATOM 747 CA TRP A 43 -7.101 -5.054 -2.038 1.00 0.00 C ATOM 748 C TRP A 43 -5.742 -5.721 -2.218 1.00 0.00 C ATOM 749 O TRP A 43 -5.292 -6.459 -1.374 1.00 0.00 O ATOM 750 CB TRP A 43 -8.003 -5.449 -3.219 1.00 0.00 C ATOM 751 CG TRP A 43 -8.423 -6.884 -3.130 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.988 -7.468 -2.052 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.340 -7.915 -4.156 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.253 -8.794 -2.346 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.871 -9.118 -3.632 1.00 0.00 C ATOM 756 CE3 TRP A 43 -7.857 -7.926 -5.477 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -8.922 -10.288 -4.391 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -7.907 -9.101 -6.244 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.438 -10.279 -5.701 1.00 0.00 C ATOM 0 H TRP A 43 -7.633 -3.080 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.524 -5.372 -1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.886 -4.810 -3.234 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.472 -5.281 -4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.199 -6.979 -1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.679 -9.451 -1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.445 -7.024 -5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.333 -11.193 -3.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.534 -9.097 -7.258 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.473 -11.180 -6.296 1.00 0.00 H new ATOM 770 N ASN A 44 -5.085 -5.445 -3.300 1.00 0.00 N ATOM 771 CA ASN A 44 -3.752 -6.068 -3.551 1.00 0.00 C ATOM 772 C ASN A 44 -2.670 -5.417 -2.688 1.00 0.00 C ATOM 773 O ASN A 44 -1.800 -6.085 -2.166 1.00 0.00 O ATOM 774 CB ASN A 44 -3.390 -5.897 -5.029 1.00 0.00 C ATOM 775 CG ASN A 44 -4.577 -6.317 -5.897 1.00 0.00 C ATOM 776 OD1 ASN A 44 -4.611 -7.419 -6.409 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.560 -5.480 -6.086 1.00 0.00 N ATOM 0 H ASN A 44 -5.410 -4.811 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.808 -7.126 -3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.127 -4.859 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.516 -6.501 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.356 -5.751 -6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.532 -4.555 -5.657 1.00 0.00 H new ATOM 784 N ASN A 45 -2.694 -4.121 -2.556 1.00 0.00 N ATOM 785 CA ASN A 45 -1.641 -3.431 -1.751 1.00 0.00 C ATOM 786 C ASN A 45 -1.988 -3.451 -0.262 1.00 0.00 C ATOM 787 O ASN A 45 -1.429 -2.699 0.511 1.00 0.00 O ATOM 788 CB ASN A 45 -1.526 -1.980 -2.219 1.00 0.00 C ATOM 789 CG ASN A 45 -1.215 -1.949 -3.716 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.488 -2.785 -4.215 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.739 -1.013 -4.459 1.00 0.00 N ATOM 0 H ASN A 45 -3.396 -3.507 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.696 -3.954 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.456 -1.448 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.740 -1.469 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.538 -0.983 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.349 -0.311 -4.040 1.00 0.00 H new ATOM 798 N TYR A 46 -2.893 -4.296 0.168 1.00 0.00 N ATOM 799 CA TYR A 46 -3.225 -4.323 1.628 1.00 0.00 C ATOM 800 C TYR A 46 -3.733 -5.719 2.033 1.00 0.00 C ATOM 801 O TYR A 46 -3.172 -6.341 2.915 1.00 0.00 O ATOM 802 CB TYR A 46 -4.273 -3.225 1.932 1.00 0.00 C ATOM 803 CG TYR A 46 -3.960 -2.549 3.261 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.991 -3.296 4.444 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.641 -1.182 3.308 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.711 -2.683 5.670 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.360 -0.571 4.535 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.396 -1.320 5.716 1.00 0.00 C ATOM 809 OH TYR A 46 -3.120 -0.716 6.926 1.00 0.00 O ATOM 0 H TYR A 46 -3.408 -4.956 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.330 -4.119 2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.277 -2.485 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.270 -3.664 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.232 -4.348 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.613 -0.602 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.738 -3.262 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.115 0.480 4.570 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.189 -1.378 7.645 1.00 0.00 H new ATOM 819 N ILE A 47 -4.774 -6.228 1.408 1.00 0.00 N ATOM 820 CA ILE A 47 -5.282 -7.597 1.784 1.00 0.00 C ATOM 821 C ILE A 47 -5.800 -8.352 0.543 1.00 0.00 C ATOM 822 O ILE A 47 -6.707 -7.927 -0.147 1.00 0.00 O ATOM 823 CB ILE A 47 -6.372 -7.508 2.904 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.805 -7.281 2.360 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.036 -6.367 3.870 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.922 -5.935 1.637 1.00 0.00 C ATOM 0 H ILE A 47 -5.290 -5.763 0.662 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.447 -8.168 2.191 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.361 -8.474 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.068 -8.087 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.518 -7.317 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.799 -6.311 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.065 -6.552 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.005 -5.425 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.940 -5.808 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.683 -5.128 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.226 -5.911 0.798 1.00 0.00 H new ATOM 838 N ASN A 48 -5.206 -9.488 0.282 1.00 0.00 N ATOM 839 CA ASN A 48 -5.605 -10.354 -0.874 1.00 0.00 C ATOM 840 C ASN A 48 -4.698 -11.602 -0.883 1.00 0.00 C ATOM 841 O ASN A 48 -5.176 -12.711 -1.015 1.00 0.00 O ATOM 842 CB ASN A 48 -5.510 -9.565 -2.218 1.00 0.00 C ATOM 843 CG ASN A 48 -4.527 -10.210 -3.214 1.00 0.00 C ATOM 844 OD1 ASN A 48 -4.813 -11.243 -3.787 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.377 -9.635 -3.438 1.00 0.00 N ATOM 0 H ASN A 48 -4.438 -9.864 0.838 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.644 -10.665 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.499 -9.509 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.195 -8.542 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.717 -10.053 -4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.138 -8.768 -2.957 1.00 0.00 H new ATOM 852 N PRO A 49 -3.397 -11.428 -0.753 1.00 0.00 N ATOM 853 CA PRO A 49 -2.428 -12.548 -0.759 1.00 0.00 C ATOM 854 C PRO A 49 -2.016 -12.960 0.663 1.00 0.00 C ATOM 855 O PRO A 49 -1.317 -13.933 0.853 1.00 0.00 O ATOM 856 CB PRO A 49 -1.239 -11.940 -1.530 1.00 0.00 C ATOM 857 CG PRO A 49 -1.322 -10.438 -1.295 1.00 0.00 C ATOM 858 CD PRO A 49 -2.672 -10.162 -0.585 1.00 0.00 C ATOM 0 HA PRO A 49 -2.826 -13.460 -1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.292 -12.341 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.300 -12.174 -2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.488 -10.097 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.266 -9.897 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.532 -9.914 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.205 -9.328 -1.041 1.00 0.00 H new ATOM 866 N ALA A 50 -2.429 -12.212 1.655 1.00 0.00 N ATOM 867 CA ALA A 50 -2.053 -12.542 3.063 1.00 0.00 C ATOM 868 C ALA A 50 -0.571 -12.207 3.256 1.00 0.00 C ATOM 869 O ALA A 50 0.239 -13.051 3.582 1.00 0.00 O ATOM 870 CB ALA A 50 -2.321 -14.035 3.350 1.00 0.00 C ATOM 0 H ALA A 50 -3.013 -11.383 1.549 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.653 -11.958 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.043 -14.263 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.380 -14.249 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.730 -14.648 2.670 1.00 0.00 H new ATOM 876 N LEU A 51 -0.220 -10.969 3.037 1.00 0.00 N ATOM 877 CA LEU A 51 1.204 -10.531 3.177 1.00 0.00 C ATOM 878 C LEU A 51 1.433 -9.954 4.580 1.00 0.00 C ATOM 879 O LEU A 51 2.269 -9.094 4.779 1.00 0.00 O ATOM 880 CB LEU A 51 1.523 -9.471 2.095 1.00 0.00 C ATOM 881 CG LEU A 51 0.293 -8.596 1.804 1.00 0.00 C ATOM 882 CD1 LEU A 51 -0.157 -7.870 3.075 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.655 -7.568 0.731 1.00 0.00 C ATOM 0 H LEU A 51 -0.867 -10.230 2.763 1.00 0.00 H new ATOM 0 HA LEU A 51 1.867 -11.385 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.350 -8.844 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.847 -9.966 1.180 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.523 -9.229 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.029 -7.254 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.415 -8.602 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.652 -7.236 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.212 -6.943 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.474 -6.943 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.962 -8.084 -0.179 1.00 0.00 H new ATOM 895 N ARG A 52 0.709 -10.427 5.557 1.00 0.00 N ATOM 896 CA ARG A 52 0.905 -9.907 6.941 1.00 0.00 C ATOM 897 C ARG A 52 2.374 -10.084 7.332 1.00 0.00 C ATOM 898 O ARG A 52 2.822 -9.595 8.351 1.00 0.00 O ATOM 899 CB ARG A 52 0.017 -10.688 7.913 1.00 0.00 C ATOM 900 CG ARG A 52 0.320 -12.183 7.797 1.00 0.00 C ATOM 901 CD ARG A 52 -0.668 -12.971 8.661 1.00 0.00 C ATOM 902 NE ARG A 52 -0.346 -14.424 8.583 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.144 -15.300 9.131 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.225 -14.903 9.747 1.00 0.00 N ATOM 905 NH2 ARG A 52 -0.863 -16.572 9.062 1.00 0.00 N ATOM 0 H ARG A 52 -0.006 -11.147 5.459 1.00 0.00 H new ATOM 0 HA ARG A 52 0.636 -8.851 6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.193 -10.349 8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.034 -10.501 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.245 -12.501 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.342 -12.384 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.615 -12.631 9.695 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.688 -12.795 8.319 1.00 0.00 H new ATOM 0 HE ARG A 52 0.498 -14.734 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.446 -13.909 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.849 -15.587 10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.020 -16.883 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.487 -17.256 9.490 1.00 0.00 H new ATOM 919 N THR A 53 3.127 -10.778 6.521 1.00 0.00 N ATOM 920 CA THR A 53 4.571 -10.996 6.822 1.00 0.00 C ATOM 921 C THR A 53 5.294 -11.368 5.525 1.00 0.00 C ATOM 922 O THR A 53 5.691 -12.500 5.328 1.00 0.00 O ATOM 923 CB THR A 53 4.718 -12.133 7.835 1.00 0.00 C ATOM 924 OG1 THR A 53 3.868 -11.886 8.947 1.00 0.00 O ATOM 925 CG2 THR A 53 6.170 -12.212 8.309 1.00 0.00 C ATOM 0 H THR A 53 2.800 -11.207 5.655 1.00 0.00 H new ATOM 0 HA THR A 53 5.004 -10.087 7.241 1.00 0.00 H new ATOM 0 HB THR A 53 4.440 -13.077 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.704 -10.923 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.274 -13.022 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.822 -12.400 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.451 -11.270 8.779 1.00 0.00 H new ATOM 933 N ASP A 54 5.453 -10.421 4.633 1.00 0.00 N ATOM 934 CA ASP A 54 6.137 -10.690 3.325 1.00 0.00 C ATOM 935 C ASP A 54 7.145 -9.576 3.037 1.00 0.00 C ATOM 936 O ASP A 54 6.993 -8.836 2.088 1.00 0.00 O ATOM 937 CB ASP A 54 5.085 -10.716 2.212 1.00 0.00 C ATOM 938 CG ASP A 54 5.723 -11.216 0.914 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.518 -12.138 0.984 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.403 -10.667 -0.129 1.00 0.00 O ATOM 0 H ASP A 54 5.134 -9.460 4.756 1.00 0.00 H new ATOM 0 HA ASP A 54 6.657 -11.647 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.257 -11.365 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.672 -9.718 2.065 1.00 0.00 H new ATOM 945 N PRO A 55 8.171 -9.450 3.844 1.00 0.00 N ATOM 946 CA PRO A 55 9.211 -8.393 3.651 1.00 0.00 C ATOM 947 C PRO A 55 10.053 -8.649 2.396 1.00 0.00 C ATOM 948 O PRO A 55 10.471 -9.758 2.129 1.00 0.00 O ATOM 949 CB PRO A 55 10.064 -8.490 4.928 1.00 0.00 C ATOM 950 CG PRO A 55 9.908 -9.905 5.366 1.00 0.00 C ATOM 951 CD PRO A 55 8.467 -10.288 5.022 1.00 0.00 C ATOM 0 HA PRO A 55 8.780 -7.403 3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.108 -8.248 4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.716 -7.796 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.619 -10.554 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.096 -10.007 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.375 -11.350 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.786 -10.079 5.847 1.00 0.00 H new ATOM 959 N TRP A 56 10.300 -7.626 1.629 1.00 0.00 N ATOM 960 CA TRP A 56 11.112 -7.797 0.385 1.00 0.00 C ATOM 961 C TRP A 56 12.603 -7.879 0.748 1.00 0.00 C ATOM 962 O TRP A 56 12.961 -8.006 1.903 1.00 0.00 O ATOM 963 CB TRP A 56 10.841 -6.637 -0.602 1.00 0.00 C ATOM 964 CG TRP A 56 10.433 -5.378 0.108 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.188 -5.112 0.576 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.237 -4.200 0.400 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.174 -3.837 1.118 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.417 -3.237 1.040 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.585 -3.875 0.173 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.918 -1.996 1.433 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.092 -2.631 0.571 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.262 -1.692 1.197 1.00 0.00 C ATOM 0 H TRP A 56 9.976 -6.675 1.807 1.00 0.00 H new ATOM 0 HA TRP A 56 10.823 -8.726 -0.108 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.737 -6.446 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.057 -6.930 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.344 -5.785 0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.349 -3.396 1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.235 -4.589 -0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.273 -1.276 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.131 -2.394 0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.660 -0.734 1.497 1.00 0.00 H new ATOM 983 N SER A 57 13.469 -7.842 -0.242 1.00 0.00 N ATOM 984 CA SER A 57 14.947 -7.955 0.009 1.00 0.00 C ATOM 985 C SER A 57 15.692 -6.845 -0.770 1.00 0.00 C ATOM 986 O SER A 57 15.078 -6.040 -1.441 1.00 0.00 O ATOM 987 CB SER A 57 15.387 -9.363 -0.456 1.00 0.00 C ATOM 988 OG SER A 57 14.228 -10.164 -0.643 1.00 0.00 O ATOM 0 H SER A 57 13.212 -7.737 -1.224 1.00 0.00 H new ATOM 0 HA SER A 57 15.183 -7.827 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.953 -9.294 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.045 -9.817 0.285 1.00 0.00 H new ATOM 0 HG SER A 57 14.494 -11.059 -0.940 1.00 0.00 H new ATOM 994 N PRO A 58 17.008 -6.796 -0.670 1.00 0.00 N ATOM 995 CA PRO A 58 17.845 -5.761 -1.365 1.00 0.00 C ATOM 996 C PRO A 58 17.482 -5.572 -2.847 1.00 0.00 C ATOM 997 O PRO A 58 17.891 -4.617 -3.477 1.00 0.00 O ATOM 998 CB PRO A 58 19.273 -6.298 -1.207 1.00 0.00 C ATOM 999 CG PRO A 58 19.233 -7.033 0.089 1.00 0.00 C ATOM 1000 CD PRO A 58 17.862 -7.717 0.114 1.00 0.00 C ATOM 0 HA PRO A 58 17.696 -4.771 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.547 -6.956 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.005 -5.490 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.040 -7.763 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.350 -6.353 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.900 -8.710 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.492 -7.840 1.132 1.00 0.00 H new ATOM 1008 N GLU A 59 16.727 -6.474 -3.404 1.00 0.00 N ATOM 1009 CA GLU A 59 16.344 -6.359 -4.832 1.00 0.00 C ATOM 1010 C GLU A 59 15.331 -5.238 -4.973 1.00 0.00 C ATOM 1011 O GLU A 59 15.425 -4.419 -5.859 1.00 0.00 O ATOM 1012 CB GLU A 59 15.725 -7.676 -5.305 1.00 0.00 C ATOM 1013 CG GLU A 59 16.764 -8.794 -5.209 1.00 0.00 C ATOM 1014 CD GLU A 59 16.170 -10.093 -5.757 1.00 0.00 C ATOM 1015 OE1 GLU A 59 15.236 -10.595 -5.153 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.659 -10.563 -6.770 1.00 0.00 O ATOM 0 H GLU A 59 16.356 -7.294 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 59 17.224 -6.143 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.855 -7.921 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.376 -7.577 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.657 -8.524 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.071 -8.931 -4.172 1.00 0.00 H new ATOM 1023 N GLU A 60 14.368 -5.176 -4.092 1.00 0.00 N ATOM 1024 CA GLU A 60 13.368 -4.083 -4.178 1.00 0.00 C ATOM 1025 C GLU A 60 13.969 -2.840 -3.527 1.00 0.00 C ATOM 1026 O GLU A 60 13.572 -1.737 -3.807 1.00 0.00 O ATOM 1027 CB GLU A 60 12.085 -4.492 -3.454 1.00 0.00 C ATOM 1028 CG GLU A 60 11.672 -5.897 -3.897 1.00 0.00 C ATOM 1029 CD GLU A 60 11.481 -5.921 -5.415 1.00 0.00 C ATOM 1030 OE1 GLU A 60 12.454 -6.156 -6.112 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.364 -5.703 -5.854 1.00 0.00 O ATOM 0 H GLU A 60 14.234 -5.832 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 60 13.120 -3.877 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.241 -4.471 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.289 -3.781 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.434 -6.620 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.747 -6.189 -3.399 1.00 0.00 H new ATOM 1038 N ASP A 61 14.940 -3.011 -2.667 1.00 0.00 N ATOM 1039 CA ASP A 61 15.569 -1.825 -2.019 1.00 0.00 C ATOM 1040 C ASP A 61 16.273 -0.999 -3.096 1.00 0.00 C ATOM 1041 O ASP A 61 15.985 0.165 -3.292 1.00 0.00 O ATOM 1042 CB ASP A 61 16.597 -2.285 -0.971 1.00 0.00 C ATOM 1043 CG ASP A 61 16.905 -1.137 -0.002 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.414 -0.045 -0.235 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.624 -1.374 0.955 1.00 0.00 O ATOM 0 H ASP A 61 15.321 -3.915 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 61 14.805 -1.226 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.209 -3.143 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.512 -2.611 -1.465 1.00 0.00 H new ATOM 1050 N MET A 62 17.192 -1.601 -3.802 1.00 0.00 N ATOM 1051 CA MET A 62 17.907 -0.859 -4.871 1.00 0.00 C ATOM 1052 C MET A 62 16.893 -0.418 -5.922 1.00 0.00 C ATOM 1053 O MET A 62 17.017 0.636 -6.513 1.00 0.00 O ATOM 1054 CB MET A 62 18.970 -1.764 -5.511 1.00 0.00 C ATOM 1055 CG MET A 62 18.318 -3.024 -6.105 1.00 0.00 C ATOM 1056 SD MET A 62 17.663 -2.649 -7.751 1.00 0.00 S ATOM 1057 CE MET A 62 17.690 -4.339 -8.396 1.00 0.00 C ATOM 0 H MET A 62 17.476 -2.573 -3.682 1.00 0.00 H new ATOM 0 HA MET A 62 18.403 0.015 -4.450 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.498 -1.218 -6.293 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.711 -2.049 -4.764 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.050 -3.829 -6.168 1.00 0.00 H new ATOM 0 HG3 MET A 62 17.516 -3.372 -5.454 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.319 -4.343 -9.421 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.712 -4.719 -8.378 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.056 -4.975 -7.778 1.00 0.00 H new ATOM 1067 N LEU A 63 15.879 -1.212 -6.157 1.00 0.00 N ATOM 1068 CA LEU A 63 14.850 -0.815 -7.173 1.00 0.00 C ATOM 1069 C LEU A 63 13.929 0.244 -6.543 1.00 0.00 C ATOM 1070 O LEU A 63 13.391 1.102 -7.213 1.00 0.00 O ATOM 1071 CB LEU A 63 14.038 -2.063 -7.595 1.00 0.00 C ATOM 1072 CG LEU A 63 13.576 -1.957 -9.059 1.00 0.00 C ATOM 1073 CD1 LEU A 63 12.693 -3.164 -9.393 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.781 -0.660 -9.276 1.00 0.00 C ATOM 0 H LEU A 63 15.718 -2.108 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 63 15.326 -0.398 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.648 -2.957 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.171 -2.173 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 63 14.449 -1.943 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.361 -3.097 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.264 -4.082 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.825 -3.173 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.461 -0.599 -10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.906 -0.657 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.412 0.197 -9.040 1.00 0.00 H new ATOM 1086 N LEU A 64 13.759 0.189 -5.252 1.00 0.00 N ATOM 1087 CA LEU A 64 12.887 1.180 -4.559 1.00 0.00 C ATOM 1088 C LEU A 64 13.627 2.510 -4.461 1.00 0.00 C ATOM 1089 O LEU A 64 13.071 3.559 -4.693 1.00 0.00 O ATOM 1090 CB LEU A 64 12.551 0.657 -3.150 1.00 0.00 C ATOM 1091 CG LEU A 64 11.834 1.746 -2.289 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.765 1.092 -1.402 1.00 0.00 C ATOM 1093 CD2 LEU A 64 12.833 2.470 -1.364 1.00 0.00 C ATOM 0 H LEU A 64 14.190 -0.505 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 64 11.962 1.324 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.913 -0.223 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.467 0.342 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 64 11.384 2.463 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.270 1.858 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.029 0.589 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.236 0.365 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.306 3.222 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.298 1.747 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.602 2.953 -1.966 1.00 0.00 H new ATOM 1105 N ASP A 65 14.884 2.478 -4.118 1.00 0.00 N ATOM 1106 CA ASP A 65 15.656 3.748 -4.003 1.00 0.00 C ATOM 1107 C ASP A 65 15.449 4.592 -5.263 1.00 0.00 C ATOM 1108 O ASP A 65 15.461 5.805 -5.218 1.00 0.00 O ATOM 1109 CB ASP A 65 17.143 3.421 -3.849 1.00 0.00 C ATOM 1110 CG ASP A 65 17.911 4.690 -3.476 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.788 5.121 -2.341 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.607 5.211 -4.332 1.00 0.00 O ATOM 0 H ASP A 65 15.410 1.629 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 65 15.310 4.307 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.281 2.661 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.533 3.008 -4.779 1.00 0.00 H new ATOM 1117 N GLN A 66 15.265 3.956 -6.388 1.00 0.00 N ATOM 1118 CA GLN A 66 15.064 4.719 -7.656 1.00 0.00 C ATOM 1119 C GLN A 66 13.624 5.233 -7.748 1.00 0.00 C ATOM 1120 O GLN A 66 13.383 6.354 -8.148 1.00 0.00 O ATOM 1121 CB GLN A 66 15.353 3.805 -8.848 1.00 0.00 C ATOM 1122 CG GLN A 66 16.826 3.393 -8.831 1.00 0.00 C ATOM 1123 CD GLN A 66 17.110 2.461 -10.011 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.744 1.303 -9.987 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.752 2.921 -11.050 1.00 0.00 N ATOM 0 H GLN A 66 15.245 2.941 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 66 15.744 5.571 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.717 2.921 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.119 4.320 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.462 4.276 -8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 66 17.063 2.892 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.059 3.893 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.946 2.308 -11.842 1.00 0.00 H new ATOM 1134 N LYS A 67 12.665 4.422 -7.394 1.00 0.00 N ATOM 1135 CA LYS A 67 11.241 4.868 -7.478 1.00 0.00 C ATOM 1136 C LYS A 67 10.913 5.785 -6.297 1.00 0.00 C ATOM 1137 O LYS A 67 10.441 6.892 -6.468 1.00 0.00 O ATOM 1138 CB LYS A 67 10.329 3.638 -7.445 1.00 0.00 C ATOM 1139 CG LYS A 67 10.477 2.859 -8.753 1.00 0.00 C ATOM 1140 CD LYS A 67 9.545 1.645 -8.737 1.00 0.00 C ATOM 1141 CE LYS A 67 9.493 1.020 -10.134 1.00 0.00 C ATOM 1142 NZ LYS A 67 8.730 1.915 -11.050 1.00 0.00 N ATOM 0 H LYS A 67 12.803 3.471 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 67 11.085 5.417 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.589 3.002 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.292 3.944 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.238 3.502 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.510 2.535 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.899 0.912 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.545 1.945 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.503 0.868 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.019 0.039 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.864 1.602 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.719 1.878 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.074 2.891 -10.948 1.00 0.00 H new ATOM 1156 N TYR A 68 11.165 5.333 -5.103 1.00 0.00 N ATOM 1157 CA TYR A 68 10.877 6.167 -3.899 1.00 0.00 C ATOM 1158 C TYR A 68 11.554 7.535 -4.065 1.00 0.00 C ATOM 1159 O TYR A 68 10.993 8.565 -3.749 1.00 0.00 O ATOM 1160 CB TYR A 68 11.420 5.436 -2.653 1.00 0.00 C ATOM 1161 CG TYR A 68 11.637 6.406 -1.509 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.811 7.164 -1.460 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.668 6.549 -0.508 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.022 8.065 -0.413 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.878 7.451 0.540 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.054 8.210 0.589 1.00 0.00 C ATOM 1167 OH TYR A 68 12.260 9.099 1.624 1.00 0.00 O ATOM 0 H TYR A 68 11.561 4.414 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 68 9.804 6.321 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.719 4.659 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.359 4.940 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.557 7.053 -2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.761 5.964 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.930 8.649 -0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.132 7.562 1.313 1.00 0.00 H new ATOM 0 HH TYR A 68 12.472 8.604 2.443 1.00 0.00 H new ATOM 1177 N ALA A 69 12.756 7.547 -4.557 1.00 0.00 N ATOM 1178 CA ALA A 69 13.477 8.836 -4.747 1.00 0.00 C ATOM 1179 C ALA A 69 12.601 9.789 -5.567 1.00 0.00 C ATOM 1180 O ALA A 69 12.676 10.993 -5.427 1.00 0.00 O ATOM 1181 CB ALA A 69 14.793 8.566 -5.487 1.00 0.00 C ATOM 0 H ALA A 69 13.276 6.716 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 69 13.692 9.292 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.329 9.504 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.408 7.884 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.579 8.118 -6.457 1.00 0.00 H new ATOM 1187 N GLU A 70 11.774 9.253 -6.428 1.00 0.00 N ATOM 1188 CA GLU A 70 10.891 10.106 -7.273 1.00 0.00 C ATOM 1189 C GLU A 70 9.540 10.306 -6.579 1.00 0.00 C ATOM 1190 O GLU A 70 9.108 11.417 -6.347 1.00 0.00 O ATOM 1191 CB GLU A 70 10.674 9.403 -8.616 1.00 0.00 C ATOM 1192 CG GLU A 70 11.956 9.476 -9.448 1.00 0.00 C ATOM 1193 CD GLU A 70 11.812 8.590 -10.687 1.00 0.00 C ATOM 1194 OE1 GLU A 70 11.183 9.029 -11.636 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.333 7.487 -10.666 1.00 0.00 O ATOM 0 H GLU A 70 11.673 8.250 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 70 11.357 11.079 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.394 8.362 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.852 9.873 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.151 10.506 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.808 9.150 -8.852 1.00 0.00 H new ATOM 1202 N TYR A 71 8.861 9.233 -6.266 1.00 0.00 N ATOM 1203 CA TYR A 71 7.526 9.354 -5.610 1.00 0.00 C ATOM 1204 C TYR A 71 7.680 9.669 -4.122 1.00 0.00 C ATOM 1205 O TYR A 71 6.962 10.484 -3.579 1.00 0.00 O ATOM 1206 CB TYR A 71 6.756 8.043 -5.789 1.00 0.00 C ATOM 1207 CG TYR A 71 6.867 7.589 -7.228 1.00 0.00 C ATOM 1208 CD1 TYR A 71 6.137 8.249 -8.224 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.696 6.512 -7.568 1.00 0.00 C ATOM 1210 CE1 TYR A 71 6.237 7.834 -9.557 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.796 6.097 -8.900 1.00 0.00 C ATOM 1212 CZ TYR A 71 7.066 6.758 -9.895 1.00 0.00 C ATOM 1213 OH TYR A 71 7.164 6.348 -11.210 1.00 0.00 O ATOM 0 H TYR A 71 9.174 8.277 -6.437 1.00 0.00 H new ATOM 0 HA TYR A 71 6.976 10.171 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.157 7.279 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.709 8.183 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.496 9.079 -7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.259 6.001 -6.800 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.674 8.344 -10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.436 5.267 -9.161 1.00 0.00 H new ATOM 0 HH TYR A 71 7.782 5.590 -11.271 1.00 0.00 H new ATOM 1223 N GLY A 72 8.601 9.028 -3.455 1.00 0.00 N ATOM 1224 CA GLY A 72 8.792 9.287 -1.993 1.00 0.00 C ATOM 1225 C GLY A 72 7.974 8.260 -1.206 1.00 0.00 C ATOM 1226 O GLY A 72 7.651 7.207 -1.717 1.00 0.00 O ATOM 0 H GLY A 72 9.232 8.335 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.847 9.212 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.472 10.298 -1.743 1.00 0.00 H new ATOM 1230 N PRO A 73 7.638 8.547 0.027 1.00 0.00 N ATOM 1231 CA PRO A 73 6.846 7.606 0.868 1.00 0.00 C ATOM 1232 C PRO A 73 5.461 7.298 0.279 1.00 0.00 C ATOM 1233 O PRO A 73 4.571 6.859 0.980 1.00 0.00 O ATOM 1234 CB PRO A 73 6.727 8.317 2.238 1.00 0.00 C ATOM 1235 CG PRO A 73 7.798 9.372 2.226 1.00 0.00 C ATOM 1236 CD PRO A 73 7.973 9.778 0.759 1.00 0.00 C ATOM 0 HA PRO A 73 7.334 6.634 0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.739 8.759 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.873 7.616 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.510 10.228 2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.730 8.986 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.312 10.601 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.991 10.106 0.551 1.00 0.00 H new ATOM 1244 N LYS A 74 5.266 7.504 -0.998 1.00 0.00 N ATOM 1245 CA LYS A 74 3.939 7.194 -1.595 1.00 0.00 C ATOM 1246 C LYS A 74 3.877 5.696 -1.867 1.00 0.00 C ATOM 1247 O LYS A 74 3.840 5.261 -3.000 1.00 0.00 O ATOM 1248 CB LYS A 74 3.779 7.951 -2.908 1.00 0.00 C ATOM 1249 CG LYS A 74 3.841 9.456 -2.645 1.00 0.00 C ATOM 1250 CD LYS A 74 3.651 10.214 -3.961 1.00 0.00 C ATOM 1251 CE LYS A 74 3.466 11.704 -3.671 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.145 11.922 -3.015 1.00 0.00 N ATOM 0 H LYS A 74 5.963 7.870 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 74 3.142 7.491 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.566 7.661 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.829 7.692 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.067 9.743 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.800 9.718 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.516 10.063 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.783 9.826 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.268 12.062 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.523 12.276 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.841 12.905 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.442 11.276 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.229 11.737 -1.995 1.00 0.00 H new ATOM 1266 N TRP A 75 3.881 4.901 -0.834 1.00 0.00 N ATOM 1267 CA TRP A 75 3.840 3.429 -1.031 1.00 0.00 C ATOM 1268 C TRP A 75 2.646 3.069 -1.916 1.00 0.00 C ATOM 1269 O TRP A 75 2.513 1.956 -2.383 1.00 0.00 O ATOM 1270 CB TRP A 75 3.729 2.731 0.330 1.00 0.00 C ATOM 1271 CG TRP A 75 4.542 3.467 1.352 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.045 3.996 2.492 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.975 3.765 1.358 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.078 4.571 3.209 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.282 4.459 2.553 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.028 3.499 0.463 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.582 4.870 2.851 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.336 3.916 0.759 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.614 4.597 1.950 1.00 0.00 C ATOM 0 H TRP A 75 3.911 5.209 0.138 1.00 0.00 H new ATOM 0 HA TRP A 75 4.755 3.096 -1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.686 2.691 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.077 1.701 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.008 3.973 2.794 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.961 5.024 4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.829 2.971 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.789 5.395 3.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.134 3.709 0.062 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.623 4.910 2.172 1.00 0.00 H new ATOM 1290 N ASN A 76 1.791 4.015 -2.158 1.00 0.00 N ATOM 1291 CA ASN A 76 0.610 3.755 -3.020 1.00 0.00 C ATOM 1292 C ASN A 76 1.092 3.571 -4.457 1.00 0.00 C ATOM 1293 O ASN A 76 0.553 2.786 -5.213 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.343 4.951 -2.942 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.054 4.954 -1.587 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.086 5.574 -1.430 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -0.542 4.280 -0.594 1.00 0.00 N ATOM 0 H ASN A 76 1.859 4.965 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 76 0.086 2.859 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.212 5.880 -3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.075 4.899 -3.748 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.009 4.274 0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.325 3.759 -0.725 1.00 0.00 H new ATOM 1304 N LYS A 77 2.120 4.285 -4.834 1.00 0.00 N ATOM 1305 CA LYS A 77 2.667 4.155 -6.212 1.00 0.00 C ATOM 1306 C LYS A 77 3.645 2.984 -6.230 1.00 0.00 C ATOM 1307 O LYS A 77 3.727 2.234 -7.182 1.00 0.00 O ATOM 1308 CB LYS A 77 3.407 5.449 -6.581 1.00 0.00 C ATOM 1309 CG LYS A 77 3.688 5.496 -8.104 1.00 0.00 C ATOM 1310 CD LYS A 77 2.477 6.082 -8.872 1.00 0.00 C ATOM 1311 CE LYS A 77 2.545 7.617 -8.890 1.00 0.00 C ATOM 1312 NZ LYS A 77 1.406 8.153 -9.688 1.00 0.00 N ATOM 0 H LYS A 77 2.606 4.957 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 77 1.864 3.982 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.810 6.313 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.345 5.508 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.573 6.102 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.904 4.492 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.467 5.700 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.549 5.758 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.505 8.006 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.491 7.945 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.450 9.192 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.464 7.791 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.508 7.850 -9.259 1.00 0.00 H new ATOM 1326 N ILE A 78 4.388 2.828 -5.170 1.00 0.00 N ATOM 1327 CA ILE A 78 5.364 1.714 -5.100 1.00 0.00 C ATOM 1328 C ILE A 78 4.606 0.387 -5.036 1.00 0.00 C ATOM 1329 O ILE A 78 4.834 -0.505 -5.822 1.00 0.00 O ATOM 1330 CB ILE A 78 6.225 1.886 -3.843 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.643 3.360 -3.693 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.472 1.004 -3.939 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.250 3.882 -4.998 1.00 0.00 C ATOM 0 H ILE A 78 4.358 3.429 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 78 6.005 1.718 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 78 5.642 1.587 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.777 3.964 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.367 3.458 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.078 1.132 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.173 -0.040 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.054 1.291 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.539 4.925 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.129 3.290 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.514 3.803 -5.799 1.00 0.00 H new ATOM 1345 N SER A 79 3.701 0.251 -4.105 1.00 0.00 N ATOM 1346 CA SER A 79 2.927 -1.023 -4.000 1.00 0.00 C ATOM 1347 C SER A 79 2.376 -1.422 -5.374 1.00 0.00 C ATOM 1348 O SER A 79 2.118 -2.580 -5.634 1.00 0.00 O ATOM 1349 CB SER A 79 1.759 -0.845 -3.029 1.00 0.00 C ATOM 1350 OG SER A 79 2.242 -0.337 -1.794 1.00 0.00 O ATOM 0 H SER A 79 3.463 0.963 -3.414 1.00 0.00 H new ATOM 0 HA SER A 79 3.594 -1.804 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.022 -0.162 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.256 -1.799 -2.870 1.00 0.00 H new ATOM 0 HG SER A 79 2.123 0.635 -1.771 1.00 0.00 H new ATOM 1356 N LYS A 80 2.192 -0.474 -6.254 1.00 0.00 N ATOM 1357 CA LYS A 80 1.655 -0.804 -7.607 1.00 0.00 C ATOM 1358 C LYS A 80 2.790 -1.346 -8.471 1.00 0.00 C ATOM 1359 O LYS A 80 2.569 -2.030 -9.451 1.00 0.00 O ATOM 1360 CB LYS A 80 1.068 0.455 -8.254 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.250 0.819 -7.563 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.752 2.178 -8.073 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.160 2.082 -9.551 1.00 0.00 C ATOM 1364 NZ LYS A 80 -2.046 3.230 -9.891 1.00 0.00 N ATOM 0 H LYS A 80 2.390 0.514 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 80 0.869 -1.554 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.774 1.281 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.898 0.285 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.997 0.050 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.106 0.857 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.603 2.505 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.029 2.929 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.274 2.090 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.677 1.141 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.325 3.169 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.896 3.202 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.537 4.122 -9.727 1.00 0.00 H new ATOM 1378 N PHE A 81 4.010 -1.056 -8.106 1.00 0.00 N ATOM 1379 CA PHE A 81 5.174 -1.559 -8.889 1.00 0.00 C ATOM 1380 C PHE A 81 5.566 -2.923 -8.316 1.00 0.00 C ATOM 1381 O PHE A 81 6.392 -3.632 -8.857 1.00 0.00 O ATOM 1382 CB PHE A 81 6.342 -0.564 -8.748 1.00 0.00 C ATOM 1383 CG PHE A 81 6.201 0.550 -9.771 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.339 0.260 -11.133 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.933 1.866 -9.361 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.212 1.280 -12.085 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.805 2.884 -10.314 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.945 2.591 -11.675 1.00 0.00 C ATOM 0 H PHE A 81 4.251 -0.488 -7.293 1.00 0.00 H new ATOM 0 HA PHE A 81 4.925 -1.657 -9.946 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.355 -0.145 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.291 -1.082 -8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.544 -0.752 -11.451 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.826 2.093 -8.311 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.320 1.054 -13.136 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.598 3.896 -9.998 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.847 3.377 -12.409 1.00 0.00 H new ATOM 1398 N LEU A 82 4.963 -3.281 -7.214 1.00 0.00 N ATOM 1399 CA LEU A 82 5.253 -4.586 -6.549 1.00 0.00 C ATOM 1400 C LEU A 82 4.065 -5.526 -6.790 1.00 0.00 C ATOM 1401 O LEU A 82 4.168 -6.490 -7.518 1.00 0.00 O ATOM 1402 CB LEU A 82 5.421 -4.327 -5.043 1.00 0.00 C ATOM 1403 CG LEU A 82 6.848 -3.821 -4.706 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.349 -2.795 -5.734 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.828 -3.153 -3.325 1.00 0.00 C ATOM 0 H LEU A 82 4.266 -2.711 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 82 6.161 -5.040 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.687 -3.591 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.220 -5.245 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 82 7.519 -4.680 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.352 -2.466 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.374 -3.253 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.677 -1.937 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.828 -2.794 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.134 -2.313 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.508 -3.877 -2.575 1.00 0.00 H new ATOM 1417 N LYS A 83 2.942 -5.243 -6.174 1.00 0.00 N ATOM 1418 CA LYS A 83 1.727 -6.097 -6.345 1.00 0.00 C ATOM 1419 C LYS A 83 1.884 -7.348 -5.483 1.00 0.00 C ATOM 1420 O LYS A 83 1.077 -8.254 -5.537 1.00 0.00 O ATOM 1421 CB LYS A 83 1.546 -6.482 -7.837 1.00 0.00 C ATOM 1422 CG LYS A 83 0.039 -6.668 -8.199 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.520 -5.416 -8.901 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.486 -4.212 -7.955 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.237 -4.534 -6.707 1.00 0.00 N ATOM 0 H LYS A 83 2.816 -4.445 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 83 0.840 -5.546 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.981 -5.708 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.088 -7.405 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.078 -7.536 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.534 -6.868 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.066 -5.201 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.543 -5.601 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.546 -3.955 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.926 -3.342 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.006 -3.834 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.259 -4.509 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.970 -5.483 -6.377 1.00 0.00 H new ATOM 1439 N ASN A 84 2.925 -7.392 -4.687 1.00 0.00 N ATOM 1440 CA ASN A 84 3.171 -8.569 -3.797 1.00 0.00 C ATOM 1441 C ASN A 84 3.274 -8.090 -2.351 1.00 0.00 C ATOM 1442 O ASN A 84 3.086 -8.853 -1.423 1.00 0.00 O ATOM 1443 CB ASN A 84 4.483 -9.243 -4.203 1.00 0.00 C ATOM 1444 CG ASN A 84 4.309 -9.921 -5.563 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.460 -11.121 -5.681 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.997 -9.199 -6.604 1.00 0.00 N ATOM 0 H ASN A 84 3.624 -6.652 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 84 2.351 -9.281 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.283 -8.505 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.774 -9.978 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.880 -9.642 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.870 -8.192 -6.506 1.00 0.00 H new ATOM 1453 N ARG A 85 3.568 -6.826 -2.154 1.00 0.00 N ATOM 1454 CA ARG A 85 3.689 -6.263 -0.768 1.00 0.00 C ATOM 1455 C ARG A 85 2.527 -5.298 -0.530 1.00 0.00 C ATOM 1456 O ARG A 85 1.718 -5.055 -1.403 1.00 0.00 O ATOM 1457 CB ARG A 85 5.033 -5.514 -0.617 1.00 0.00 C ATOM 1458 CG ARG A 85 6.133 -6.201 -1.444 1.00 0.00 C ATOM 1459 CD ARG A 85 6.402 -7.603 -0.896 1.00 0.00 C ATOM 1460 NE ARG A 85 7.457 -8.259 -1.722 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.086 -9.311 -1.268 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.794 -9.787 -0.089 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.007 -9.884 -1.993 1.00 0.00 N ATOM 0 H ARG A 85 3.731 -6.152 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 85 3.658 -7.071 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.918 -4.480 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.324 -5.486 0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.829 -6.262 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.047 -5.608 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.722 -7.544 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.487 -8.196 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 85 7.688 -7.886 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.075 -9.338 0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.285 -10.608 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.236 -9.511 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.498 -10.705 -1.639 1.00 0.00 H new ATOM 1477 N SER A 86 2.447 -4.754 0.657 1.00 0.00 N ATOM 1478 CA SER A 86 1.355 -3.802 1.009 1.00 0.00 C ATOM 1479 C SER A 86 1.995 -2.513 1.505 1.00 0.00 C ATOM 1480 O SER A 86 3.099 -2.506 2.008 1.00 0.00 O ATOM 1481 CB SER A 86 0.487 -4.411 2.117 1.00 0.00 C ATOM 1482 OG SER A 86 1.322 -5.090 3.046 1.00 0.00 O ATOM 0 H SER A 86 3.108 -4.935 1.412 1.00 0.00 H new ATOM 0 HA SER A 86 0.728 -3.600 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.079 -3.629 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.238 -5.103 1.688 1.00 0.00 H new ATOM 0 HG SER A 86 0.913 -5.059 3.936 1.00 0.00 H new ATOM 1488 N ASP A 87 1.309 -1.426 1.367 1.00 0.00 N ATOM 1489 CA ASP A 87 1.875 -0.131 1.825 1.00 0.00 C ATOM 1490 C ASP A 87 2.282 -0.256 3.291 1.00 0.00 C ATOM 1491 O ASP A 87 3.205 0.387 3.752 1.00 0.00 O ATOM 1492 CB ASP A 87 0.830 0.976 1.659 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.519 0.490 2.195 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.982 -0.538 1.731 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.064 1.156 3.059 1.00 0.00 O ATOM 0 H ASP A 87 0.377 -1.373 0.956 1.00 0.00 H new ATOM 0 HA ASP A 87 2.751 0.123 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.145 1.871 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.738 1.249 0.608 1.00 0.00 H new ATOM 1500 N ASN A 88 1.612 -1.100 4.020 1.00 0.00 N ATOM 1501 CA ASN A 88 1.964 -1.298 5.452 1.00 0.00 C ATOM 1502 C ASN A 88 3.235 -2.144 5.526 1.00 0.00 C ATOM 1503 O ASN A 88 4.000 -2.049 6.462 1.00 0.00 O ATOM 1504 CB ASN A 88 0.818 -2.020 6.171 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.345 -1.049 6.389 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.869 -0.490 5.446 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.769 -0.822 7.601 1.00 0.00 N ATOM 0 H ASN A 88 0.831 -1.665 3.685 1.00 0.00 H new ATOM 0 HA ASN A 88 2.129 -0.334 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.486 -2.874 5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.164 -2.409 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.541 -0.175 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.328 -1.292 8.392 1.00 0.00 H new ATOM 1514 N ASN A 89 3.471 -2.967 4.537 1.00 0.00 N ATOM 1515 CA ASN A 89 4.695 -3.813 4.539 1.00 0.00 C ATOM 1516 C ASN A 89 5.865 -2.984 4.012 1.00 0.00 C ATOM 1517 O ASN A 89 6.991 -3.119 4.449 1.00 0.00 O ATOM 1518 CB ASN A 89 4.469 -5.014 3.620 1.00 0.00 C ATOM 1519 CG ASN A 89 5.604 -6.022 3.805 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.105 -6.196 4.898 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.035 -6.695 2.775 1.00 0.00 N ATOM 0 H ASN A 89 2.864 -3.088 3.726 1.00 0.00 H new ATOM 0 HA ASN A 89 4.913 -4.160 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.512 -5.483 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.425 -4.687 2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.793 -7.368 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.614 -6.548 1.858 1.00 0.00 H new ATOM 1528 N ILE A 90 5.593 -2.125 3.072 1.00 0.00 N ATOM 1529 CA ILE A 90 6.664 -1.273 2.495 1.00 0.00 C ATOM 1530 C ILE A 90 7.035 -0.190 3.507 1.00 0.00 C ATOM 1531 O ILE A 90 8.190 0.007 3.828 1.00 0.00 O ATOM 1532 CB ILE A 90 6.144 -0.643 1.201 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.755 -1.763 0.236 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.236 0.219 0.561 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.064 -1.180 -0.997 1.00 0.00 C ATOM 0 H ILE A 90 4.665 -1.976 2.676 1.00 0.00 H new ATOM 0 HA ILE A 90 7.551 -1.866 2.272 1.00 0.00 H new ATOM 0 HB ILE A 90 5.281 -0.015 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.643 -2.319 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.091 -2.469 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.856 0.663 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.527 1.010 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.103 -0.401 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.792 -1.987 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.165 -0.644 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.742 -0.492 -1.503 1.00 0.00 H new ATOM 1547 N ARG A 91 6.059 0.497 4.028 1.00 0.00 N ATOM 1548 CA ARG A 91 6.345 1.550 5.042 1.00 0.00 C ATOM 1549 C ARG A 91 7.030 0.890 6.232 1.00 0.00 C ATOM 1550 O ARG A 91 7.852 1.475 6.907 1.00 0.00 O ATOM 1551 CB ARG A 91 5.018 2.177 5.496 1.00 0.00 C ATOM 1552 CG ARG A 91 5.235 3.131 6.686 1.00 0.00 C ATOM 1553 CD ARG A 91 6.321 4.166 6.361 1.00 0.00 C ATOM 1554 NE ARG A 91 6.183 5.329 7.284 1.00 0.00 N ATOM 1555 CZ ARG A 91 7.062 6.294 7.253 1.00 0.00 C ATOM 1556 NH1 ARG A 91 8.061 6.242 6.416 1.00 0.00 N ATOM 1557 NH2 ARG A 91 6.939 7.311 8.062 1.00 0.00 N ATOM 0 H ARG A 91 5.073 0.375 3.796 1.00 0.00 H new ATOM 0 HA ARG A 91 6.987 2.325 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.567 2.722 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.318 1.391 5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.301 3.640 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.523 2.560 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.309 3.719 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.228 4.495 5.326 1.00 0.00 H new ATOM 0 HE ARG A 91 5.402 5.371 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.156 5.447 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.747 6.997 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.158 7.351 8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.624 8.066 8.040 1.00 0.00 H new ATOM 1571 N ASN A 92 6.680 -0.333 6.496 1.00 0.00 N ATOM 1572 CA ASN A 92 7.285 -1.055 7.652 1.00 0.00 C ATOM 1573 C ASN A 92 8.701 -1.507 7.301 1.00 0.00 C ATOM 1574 O ASN A 92 9.600 -1.436 8.114 1.00 0.00 O ATOM 1575 CB ASN A 92 6.431 -2.278 7.995 1.00 0.00 C ATOM 1576 CG ASN A 92 7.093 -3.077 9.121 1.00 0.00 C ATOM 1577 OD1 ASN A 92 6.753 -2.917 10.276 1.00 0.00 O ATOM 1578 ND2 ASN A 92 8.032 -3.935 8.830 1.00 0.00 N ATOM 0 H ASN A 92 5.998 -0.870 5.960 1.00 0.00 H new ATOM 0 HA ASN A 92 7.325 -0.384 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.433 -1.962 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.311 -2.907 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.481 -4.471 9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.317 -4.069 7.860 1.00 0.00 H new ATOM 1585 N ARG A 93 8.912 -1.983 6.103 1.00 0.00 N ATOM 1586 CA ARG A 93 10.281 -2.448 5.732 1.00 0.00 C ATOM 1587 C ARG A 93 11.176 -1.243 5.434 1.00 0.00 C ATOM 1588 O ARG A 93 12.324 -1.200 5.832 1.00 0.00 O ATOM 1589 CB ARG A 93 10.200 -3.357 4.505 1.00 0.00 C ATOM 1590 CG ARG A 93 11.612 -3.883 4.139 1.00 0.00 C ATOM 1591 CD ARG A 93 11.503 -5.253 3.461 1.00 0.00 C ATOM 1592 NE ARG A 93 12.789 -5.575 2.778 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.825 -5.952 3.477 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.734 -6.054 4.776 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.953 -6.224 2.880 1.00 0.00 N ATOM 0 H ARG A 93 8.205 -2.070 5.373 1.00 0.00 H new ATOM 0 HA ARG A 93 10.709 -3.008 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.532 -4.195 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.778 -2.808 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.110 -3.178 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.224 -3.961 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.270 -6.019 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.687 -5.249 2.739 1.00 0.00 H new ATOM 0 HE ARG A 93 12.859 -5.501 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.854 -5.839 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.543 -6.349 5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.026 -6.142 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.762 -6.518 3.427 1.00 0.00 H new ATOM 1609 N TRP A 94 10.664 -0.263 4.746 1.00 0.00 N ATOM 1610 CA TRP A 94 11.488 0.937 4.435 1.00 0.00 C ATOM 1611 C TRP A 94 11.798 1.679 5.733 1.00 0.00 C ATOM 1612 O TRP A 94 12.835 2.290 5.875 1.00 0.00 O ATOM 1613 CB TRP A 94 10.718 1.861 3.491 1.00 0.00 C ATOM 1614 CG TRP A 94 11.574 3.035 3.142 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.474 3.066 2.132 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.632 4.343 3.781 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.078 4.310 2.109 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.593 5.133 3.105 1.00 0.00 C ATOM 1619 CE3 TRP A 94 10.949 4.916 4.869 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.867 6.444 3.496 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.223 6.236 5.265 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.180 6.997 4.580 1.00 0.00 C ATOM 0 H TRP A 94 9.710 -0.241 4.385 1.00 0.00 H new ATOM 0 HA TRP A 94 12.417 0.628 3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.434 1.322 2.587 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.796 2.197 3.965 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.686 2.252 1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.795 4.586 1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.210 4.338 5.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.605 7.027 2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.693 6.667 6.102 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.387 8.011 4.890 1.00 0.00 H new ATOM 1633 N MET A 95 10.908 1.625 6.686 1.00 0.00 N ATOM 1634 CA MET A 95 11.159 2.323 7.977 1.00 0.00 C ATOM 1635 C MET A 95 12.232 1.556 8.751 1.00 0.00 C ATOM 1636 O MET A 95 12.985 2.122 9.518 1.00 0.00 O ATOM 1637 CB MET A 95 9.866 2.373 8.796 1.00 0.00 C ATOM 1638 CG MET A 95 10.142 3.014 10.159 1.00 0.00 C ATOM 1639 SD MET A 95 8.571 3.387 10.977 1.00 0.00 S ATOM 1640 CE MET A 95 9.255 4.324 12.366 1.00 0.00 C ATOM 0 H MET A 95 10.019 1.128 6.626 1.00 0.00 H new ATOM 0 HA MET A 95 11.497 3.342 7.788 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.108 2.945 8.261 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.470 1.366 8.930 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.735 2.340 10.777 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.725 3.927 10.033 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.444 4.659 13.014 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.935 3.689 12.934 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.798 5.190 11.988 1.00 0.00 H new ATOM 1650 N MET A 96 12.314 0.268 8.545 1.00 0.00 N ATOM 1651 CA MET A 96 13.344 -0.541 9.252 1.00 0.00 C ATOM 1652 C MET A 96 14.674 -0.367 8.527 1.00 0.00 C ATOM 1653 O MET A 96 15.728 -0.348 9.130 1.00 0.00 O ATOM 1654 CB MET A 96 12.937 -2.016 9.230 1.00 0.00 C ATOM 1655 CG MET A 96 13.883 -2.821 10.124 1.00 0.00 C ATOM 1656 SD MET A 96 13.296 -4.530 10.240 1.00 0.00 S ATOM 1657 CE MET A 96 14.101 -4.940 11.807 1.00 0.00 C ATOM 0 H MET A 96 11.709 -0.258 7.915 1.00 0.00 H new ATOM 0 HA MET A 96 13.436 -0.212 10.287 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.910 -2.126 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.971 -2.398 8.210 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.893 -2.799 9.715 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.931 -2.374 11.117 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.870 -5.971 12.076 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.180 -4.826 11.703 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.739 -4.271 12.588 1.00 0.00 H new ATOM 1667 N ILE A 97 14.627 -0.229 7.227 1.00 0.00 N ATOM 1668 CA ILE A 97 15.879 -0.042 6.443 1.00 0.00 C ATOM 1669 C ILE A 97 16.256 1.436 6.459 1.00 0.00 C ATOM 1670 O ILE A 97 17.417 1.793 6.443 1.00 0.00 O ATOM 1671 CB ILE A 97 15.649 -0.492 4.997 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.283 -1.979 4.977 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.927 -0.267 4.183 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.784 -2.364 3.583 1.00 0.00 C ATOM 0 H ILE A 97 13.770 -0.238 6.674 1.00 0.00 H new ATOM 0 HA ILE A 97 16.681 -0.635 6.882 1.00 0.00 H new ATOM 0 HB ILE A 97 14.835 0.087 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.151 -2.582 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.513 -2.185 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.764 -0.587 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.186 0.792 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.742 -0.845 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.524 -3.422 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.904 -1.771 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.568 -2.174 2.850 1.00 0.00 H new ATOM 1686 N ALA A 98 15.278 2.301 6.495 1.00 0.00 N ATOM 1687 CA ALA A 98 15.575 3.759 6.515 1.00 0.00 C ATOM 1688 C ALA A 98 16.069 4.149 7.907 1.00 0.00 C ATOM 1689 O ALA A 98 16.665 5.190 8.097 1.00 0.00 O ATOM 1690 CB ALA A 98 14.307 4.548 6.186 1.00 0.00 C ATOM 0 H ALA A 98 14.287 2.059 6.511 1.00 0.00 H new ATOM 0 HA ALA A 98 16.341 3.986 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.528 5.615 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.950 4.266 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.538 4.326 6.926 1.00 0.00 H new ATOM 1696 N ARG A 99 15.828 3.315 8.880 1.00 0.00 N ATOM 1697 CA ARG A 99 16.285 3.629 10.257 1.00 0.00 C ATOM 1698 C ARG A 99 17.796 3.444 10.325 1.00 0.00 C ATOM 1699 O ARG A 99 18.462 3.975 11.191 1.00 0.00 O ATOM 1700 CB ARG A 99 15.606 2.685 11.252 1.00 0.00 C ATOM 1701 CG ARG A 99 16.085 3.005 12.669 1.00 0.00 C ATOM 1702 CD ARG A 99 15.233 2.239 13.683 1.00 0.00 C ATOM 1703 NE ARG A 99 15.624 2.639 15.065 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.761 2.238 15.563 1.00 0.00 C ATOM 1705 NH1 ARG A 99 17.558 1.487 14.851 1.00 0.00 N ATOM 1706 NH2 ARG A 99 17.104 2.588 16.773 1.00 0.00 N ATOM 0 H ARG A 99 15.333 2.429 8.778 1.00 0.00 H new ATOM 0 HA ARG A 99 16.025 4.657 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.523 2.792 11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.838 1.649 11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.134 2.731 12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.014 4.077 12.855 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.176 2.449 13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.370 1.166 13.551 1.00 0.00 H new ATOM 0 HE ARG A 99 15.002 3.226 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.291 1.214 13.905 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.447 1.174 15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.483 3.175 17.329 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.993 2.274 17.162 1.00 0.00 H new ATOM 1720 N HIS A 100 18.343 2.687 9.409 1.00 0.00 N ATOM 1721 CA HIS A 100 19.812 2.453 9.403 1.00 0.00 C ATOM 1722 C HIS A 100 20.493 3.581 8.632 1.00 0.00 C ATOM 1723 O HIS A 100 21.572 4.022 8.977 1.00 0.00 O ATOM 1724 CB HIS A 100 20.111 1.117 8.720 1.00 0.00 C ATOM 1725 CG HIS A 100 21.564 0.773 8.901 1.00 0.00 C ATOM 1726 ND1 HIS A 100 22.226 0.966 10.106 1.00 0.00 N ATOM 1727 CD2 HIS A 100 22.497 0.246 8.040 1.00 0.00 C ATOM 1728 CE1 HIS A 100 23.499 0.563 9.939 1.00 0.00 C ATOM 1729 NE2 HIS A 100 23.713 0.116 8.700 1.00 0.00 N ATOM 0 H HIS A 100 17.829 2.220 8.662 1.00 0.00 H new ATOM 0 HA HIS A 100 20.186 2.428 10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.485 0.332 9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 100 19.871 1.178 7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 100 22.314 -0.025 7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.253 0.597 10.711 1.00 0.00 H new ATOM 0 HE2 HIS A 100 24.587 -0.246 8.317 1.00 0.00 H new ATOM 1738 N ARG A 101 19.868 4.053 7.587 1.00 0.00 N ATOM 1739 CA ARG A 101 20.470 5.157 6.786 1.00 0.00 C ATOM 1740 C ARG A 101 20.173 6.492 7.469 1.00 0.00 C ATOM 1741 O ARG A 101 20.795 7.497 7.189 1.00 0.00 O ATOM 1742 CB ARG A 101 19.863 5.156 5.380 1.00 0.00 C ATOM 1743 CG ARG A 101 20.362 3.933 4.608 1.00 0.00 C ATOM 1744 CD ARG A 101 19.613 3.825 3.279 1.00 0.00 C ATOM 1745 NE ARG A 101 20.263 2.792 2.424 1.00 0.00 N ATOM 1746 CZ ARG A 101 20.157 1.528 2.731 1.00 0.00 C ATOM 1747 NH1 ARG A 101 19.481 1.168 3.789 1.00 0.00 N ATOM 1748 NH2 ARG A 101 20.727 0.624 1.982 1.00 0.00 N ATOM 0 H ARG A 101 18.964 3.720 7.253 1.00 0.00 H new ATOM 0 HA ARG A 101 21.548 5.014 6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.775 5.140 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.139 6.069 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.434 4.017 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.208 3.030 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.571 3.561 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.615 4.788 2.769 1.00 0.00 H new ATOM 0 HE ARG A 101 20.791 3.073 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.036 1.875 4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.398 0.180 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.256 0.905 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.644 -0.364 2.222 1.00 0.00 H new ATOM 1762 N ALA A 102 19.222 6.508 8.362 1.00 0.00 N ATOM 1763 CA ALA A 102 18.878 7.775 9.066 1.00 0.00 C ATOM 1764 C ALA A 102 19.951 8.084 10.113 1.00 0.00 C ATOM 1765 O ALA A 102 20.012 9.172 10.650 1.00 0.00 O ATOM 1766 CB ALA A 102 17.522 7.619 9.756 1.00 0.00 C ATOM 0 H ALA A 102 18.667 5.697 8.635 1.00 0.00 H new ATOM 0 HA ALA A 102 18.829 8.591 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.268 8.545 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.758 7.397 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.573 6.804 10.478 1.00 0.00 H new ATOM 1772 N LYS A 103 20.799 7.133 10.407 1.00 0.00 N ATOM 1773 CA LYS A 103 21.871 7.360 11.415 1.00 0.00 C ATOM 1774 C LYS A 103 23.090 7.964 10.717 1.00 0.00 C ATOM 1775 O LYS A 103 23.759 8.829 11.247 1.00 0.00 O ATOM 1776 CB LYS A 103 22.252 6.015 12.040 1.00 0.00 C ATOM 1777 CG LYS A 103 21.147 5.559 12.995 1.00 0.00 C ATOM 1778 CD LYS A 103 21.538 4.222 13.628 1.00 0.00 C ATOM 1779 CE LYS A 103 20.546 3.873 14.740 1.00 0.00 C ATOM 1780 NZ LYS A 103 20.725 4.819 15.878 1.00 0.00 N ATOM 0 H LYS A 103 20.793 6.203 9.988 1.00 0.00 H new ATOM 0 HA LYS A 103 21.522 8.041 12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.402 5.269 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.196 6.107 12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.990 6.309 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.205 5.456 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.543 3.437 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.548 4.281 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.525 3.930 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.705 2.848 15.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.382 4.377 16.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.733 5.053 15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.185 5.689 15.695 1.00 0.00 H new ATOM 1794 N HIS A 104 23.382 7.514 9.528 1.00 0.00 N ATOM 1795 CA HIS A 104 24.555 8.060 8.792 1.00 0.00 C ATOM 1796 C HIS A 104 24.228 9.465 8.286 1.00 0.00 C ATOM 1797 O HIS A 104 25.106 10.250 7.991 1.00 0.00 O ATOM 1798 CB HIS A 104 24.879 7.151 7.603 1.00 0.00 C ATOM 1799 CG HIS A 104 25.385 5.827 8.105 1.00 0.00 C ATOM 1800 ND1 HIS A 104 26.641 5.340 7.774 1.00 0.00 N ATOM 1801 CD2 HIS A 104 24.815 4.875 8.916 1.00 0.00 C ATOM 1802 CE1 HIS A 104 26.786 4.146 8.377 1.00 0.00 C ATOM 1803 NE2 HIS A 104 25.702 3.819 9.084 1.00 0.00 N ATOM 0 H HIS A 104 22.858 6.791 9.035 1.00 0.00 H new ATOM 0 HA HIS A 104 25.416 8.105 9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 104 23.989 7.004 6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.629 7.621 6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 104 23.830 4.938 9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 104 27.669 3.529 8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 104 25.556 2.972 9.633 1.00 0.00 H new ATOM 1812 N GLN A 105 22.968 9.789 8.184 1.00 0.00 N ATOM 1813 CA GLN A 105 22.582 11.143 7.698 1.00 0.00 C ATOM 1814 C GLN A 105 23.225 12.209 8.589 1.00 0.00 C ATOM 1815 O GLN A 105 23.471 13.320 8.165 1.00 0.00 O ATOM 1816 CB GLN A 105 21.059 11.287 7.748 1.00 0.00 C ATOM 1817 CG GLN A 105 20.649 12.616 7.110 1.00 0.00 C ATOM 1818 CD GLN A 105 19.123 12.722 7.088 1.00 0.00 C ATOM 1819 OE1 GLN A 105 18.438 11.919 7.691 1.00 0.00 O ATOM 1820 NE2 GLN A 105 18.559 13.686 6.415 1.00 0.00 N ATOM 0 H GLN A 105 22.189 9.173 8.417 1.00 0.00 H new ATOM 0 HA GLN A 105 22.926 11.272 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.588 10.458 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.713 11.246 8.781 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.074 13.448 7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.043 12.682 6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 105 19.134 14.359 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.542 13.767 6.394 1.00 0.00 H new ATOM 1829 N LYS A 106 23.498 11.878 9.822 1.00 0.00 N ATOM 1830 CA LYS A 106 24.124 12.873 10.738 1.00 0.00 C ATOM 1831 C LYS A 106 25.437 13.371 10.130 1.00 0.00 C ATOM 1832 O LYS A 106 26.011 14.342 10.581 1.00 0.00 O ATOM 1833 CB LYS A 106 24.404 12.214 12.090 1.00 0.00 C ATOM 1834 CG LYS A 106 23.081 11.924 12.801 1.00 0.00 C ATOM 1835 CD LYS A 106 23.355 11.176 14.107 1.00 0.00 C ATOM 1836 CE LYS A 106 22.052 11.032 14.896 1.00 0.00 C ATOM 1837 NZ LYS A 106 22.326 10.328 16.181 1.00 0.00 N ATOM 0 H LYS A 106 23.315 10.963 10.234 1.00 0.00 H new ATOM 0 HA LYS A 106 23.447 13.716 10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 106 24.962 11.289 11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 106 25.023 12.868 12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 106 22.555 12.856 13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 106 22.433 11.328 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 106 23.774 10.193 13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 106 24.094 11.716 14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 106 21.622 12.014 15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 106 21.320 10.474 14.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 21.441 10.229 16.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.718 9.385 15.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 23.010 10.878 16.739 1.00 0.00 H new ATOM 1851 N SER A 107 25.917 12.712 9.112 1.00 0.00 N ATOM 1852 CA SER A 107 27.193 13.149 8.477 1.00 0.00 C ATOM 1853 C SER A 107 26.974 14.479 7.753 1.00 0.00 C ATOM 1854 O SER A 107 27.585 14.673 6.716 1.00 0.00 O ATOM 1855 CB SER A 107 27.650 12.091 7.472 1.00 0.00 C ATOM 1856 OG SER A 107 26.794 12.121 6.337 1.00 0.00 O ATOM 1857 OXT SER A 107 26.200 15.280 8.249 1.00 0.00 O ATOM 0 H SER A 107 25.482 11.891 8.692 1.00 0.00 H new ATOM 0 HA SER A 107 27.956 13.275 9.245 1.00 0.00 H new ATOM 0 HB2 SER A 107 28.680 12.280 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 107 27.629 11.103 7.932 1.00 0.00 H new ATOM 0 HG SER A 107 27.007 12.904 5.787 1.00 0.00 H new TER 1863 SER A 107