USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -0.301 K(o=0.34,f=-3.3) USER MOD Set 1.2: B 116 THR OG1 : rot 88:sc= 0.641 USER MOD Set 2.1: A 46 SER OG : rot 102:sc= 1.24 USER MOD Set 2.2: A 48 SER OG : rot -82:sc= -0.22 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot -140:sc= 0 USER MOD Set 4.1: A 16 SER OG : rot 180:sc= -0.128 USER MOD Set 4.2: A 84 SER OG : rot 91:sc= 0.53 USER MOD Set 5.1: A 12 LYS NZ :NH3+ -158:sc= 0.0249 (180deg=0) USER MOD Set 5.2: A 88 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.152 (180deg=-0.64) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= 1.17 (180deg=-0.511) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -95:sc= -8.28! USER MOD Single : A 26 SER OG : rot -88:sc= -2.5 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= 0.658 K(o=0.66,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.859 K(o=-0.86,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= 0.139 K(o=0.14,f=-4.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.55 K(o=-0.55,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.071 K(o=-0.071,f=-1.9!) USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= -0.225 (180deg=-0.999) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -120:sc= 1.41 USER MOD Single : A 99 MET CE :methyl 170:sc= 0 (180deg=-0.0983) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot 1:sc= 0.814 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.729 -4.551 -15.378 1.00 0.00 N ATOM 2 CA LYS A 9 -3.909 -3.371 -15.755 1.00 0.00 C ATOM 3 C LYS A 9 -3.251 -2.742 -14.531 1.00 0.00 C ATOM 4 O LYS A 9 -3.730 -2.899 -13.407 1.00 0.00 O ATOM 5 CB LYS A 9 -4.813 -2.351 -16.450 1.00 0.00 C ATOM 6 CG LYS A 9 -4.142 -1.635 -17.611 1.00 0.00 C ATOM 7 CD LYS A 9 -4.174 -2.476 -18.877 1.00 0.00 C ATOM 8 CE LYS A 9 -3.235 -1.925 -19.937 1.00 0.00 C ATOM 9 NZ LYS A 9 -1.819 -1.910 -19.473 1.00 0.00 N ATOM 0 HA LYS A 9 -3.113 -3.690 -16.428 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.706 -2.858 -16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.142 -1.612 -15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.643 -0.684 -17.792 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.109 -1.406 -17.351 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.894 -3.502 -18.640 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.190 -2.505 -19.270 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.314 -2.529 -20.841 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.541 -0.913 -20.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.184 -1.893 -20.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.653 -1.064 -18.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.630 -2.762 -18.907 1.00 0.00 H new ATOM 25 N GLU A 10 -2.151 -2.031 -14.755 1.00 0.00 N ATOM 26 CA GLU A 10 -1.428 -1.378 -13.670 1.00 0.00 C ATOM 27 C GLU A 10 -1.726 0.117 -13.641 1.00 0.00 C ATOM 28 O GLU A 10 -1.817 0.763 -14.685 1.00 0.00 O ATOM 29 CB GLU A 10 0.076 -1.609 -13.823 1.00 0.00 C ATOM 30 CG GLU A 10 0.459 -3.074 -13.939 1.00 0.00 C ATOM 31 CD GLU A 10 1.419 -3.339 -15.083 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.238 -2.448 -15.390 1.00 0.00 O ATOM 33 OE2 GLU A 10 1.351 -4.439 -15.673 1.00 0.00 O ATOM 0 H GLU A 10 -1.741 -1.892 -15.678 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.762 -1.814 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.428 -1.079 -14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.591 -1.175 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.915 -3.401 -13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.442 -3.671 -14.080 1.00 0.00 H new ATOM 40 N LYS A 11 -1.876 0.663 -12.438 1.00 0.00 N ATOM 41 CA LYS A 11 -2.165 2.084 -12.275 1.00 0.00 C ATOM 42 C LYS A 11 -0.910 2.858 -11.873 1.00 0.00 C ATOM 43 O LYS A 11 -0.054 2.346 -11.152 1.00 0.00 O ATOM 44 CB LYS A 11 -3.269 2.287 -11.232 1.00 0.00 C ATOM 45 CG LYS A 11 -3.572 3.748 -10.937 1.00 0.00 C ATOM 46 CD LYS A 11 -4.831 3.897 -10.099 1.00 0.00 C ATOM 47 CE LYS A 11 -4.575 3.553 -8.642 1.00 0.00 C ATOM 48 NZ LYS A 11 -4.366 4.770 -7.810 1.00 0.00 N ATOM 0 H LYS A 11 -1.802 0.144 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.509 2.470 -13.234 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.180 1.800 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.977 1.792 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.729 4.197 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.691 4.293 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.199 4.920 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.612 3.248 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.419 2.986 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.698 2.910 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.604 4.595 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.103 5.568 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.244 4.998 -7.302 1.00 0.00 H new ATOM 62 N LYS A 12 -0.810 4.096 -12.347 1.00 0.00 N ATOM 63 CA LYS A 12 0.337 4.942 -12.037 1.00 0.00 C ATOM 64 C LYS A 12 -0.072 6.095 -11.124 1.00 0.00 C ATOM 65 O LYS A 12 -1.158 6.657 -11.266 1.00 0.00 O ATOM 66 CB LYS A 12 0.954 5.492 -13.324 1.00 0.00 C ATOM 67 CG LYS A 12 2.004 4.577 -13.934 1.00 0.00 C ATOM 68 CD LYS A 12 3.379 4.841 -13.344 1.00 0.00 C ATOM 69 CE LYS A 12 4.478 4.623 -14.374 1.00 0.00 C ATOM 70 NZ LYS A 12 5.016 3.234 -14.328 1.00 0.00 N ATOM 0 H LYS A 12 -1.509 4.535 -12.947 1.00 0.00 H new ATOM 0 HA LYS A 12 1.078 4.333 -11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.162 5.660 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.406 6.462 -13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.726 3.537 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.035 4.725 -15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.426 5.864 -12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.543 4.183 -12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.087 4.828 -15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.287 5.332 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.968 3.217 -14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.065 2.913 -13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.390 2.601 -14.866 1.00 0.00 H new ATOM 84 N VAL A 13 0.803 6.439 -10.185 1.00 0.00 N ATOM 85 CA VAL A 13 0.526 7.523 -9.249 1.00 0.00 C ATOM 86 C VAL A 13 1.785 8.330 -8.943 1.00 0.00 C ATOM 87 O VAL A 13 2.899 7.809 -9.001 1.00 0.00 O ATOM 88 CB VAL A 13 -0.061 6.983 -7.930 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.446 8.126 -7.004 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.257 6.086 -8.208 1.00 0.00 C ATOM 0 H VAL A 13 1.707 5.985 -10.052 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.205 8.175 -9.727 1.00 0.00 H new ATOM 0 HB VAL A 13 0.704 6.388 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.858 7.722 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.437 8.724 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.193 8.753 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.659 5.713 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.025 6.656 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.945 5.245 -8.827 1.00 0.00 H new ATOM 100 N PHE A 14 1.597 9.606 -8.619 1.00 0.00 N ATOM 101 CA PHE A 14 2.712 10.493 -8.304 1.00 0.00 C ATOM 102 C PHE A 14 2.462 11.235 -6.994 1.00 0.00 C ATOM 103 O PHE A 14 1.388 11.800 -6.786 1.00 0.00 O ATOM 104 CB PHE A 14 2.923 11.500 -9.436 1.00 0.00 C ATOM 105 CG PHE A 14 3.746 10.970 -10.575 1.00 0.00 C ATOM 106 CD1 PHE A 14 3.216 10.046 -11.459 1.00 0.00 C ATOM 107 CD2 PHE A 14 5.051 11.398 -10.761 1.00 0.00 C ATOM 108 CE1 PHE A 14 3.970 9.559 -12.509 1.00 0.00 C ATOM 109 CE2 PHE A 14 5.810 10.915 -11.808 1.00 0.00 C ATOM 110 CZ PHE A 14 5.270 9.993 -12.684 1.00 0.00 C ATOM 0 H PHE A 14 0.680 10.050 -8.568 1.00 0.00 H new ATOM 0 HA PHE A 14 3.609 9.884 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.951 11.812 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.408 12.389 -9.033 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.201 9.702 -11.326 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.479 12.118 -10.079 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.544 8.840 -13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.825 11.258 -11.942 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.862 9.613 -13.503 1.00 0.00 H new ATOM 120 N ILE A 15 3.460 11.235 -6.114 1.00 0.00 N ATOM 121 CA ILE A 15 3.345 11.915 -4.829 1.00 0.00 C ATOM 122 C ILE A 15 4.542 12.830 -4.590 1.00 0.00 C ATOM 123 O ILE A 15 5.639 12.366 -4.279 1.00 0.00 O ATOM 124 CB ILE A 15 3.237 10.910 -3.664 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.244 9.799 -4.008 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.819 11.622 -2.383 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.823 10.291 -4.192 1.00 0.00 C ATOM 0 H ILE A 15 4.356 10.772 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 15 2.433 12.511 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 15 4.217 10.460 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.569 9.303 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.261 9.050 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.748 10.898 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.560 12.380 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.850 12.098 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.175 9.449 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.479 10.761 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.792 11.018 -5.004 1.00 0.00 H new ATOM 139 N SER A 16 4.323 14.134 -4.740 1.00 0.00 N ATOM 140 CA SER A 16 5.385 15.116 -4.544 1.00 0.00 C ATOM 141 C SER A 16 5.069 16.043 -3.374 1.00 0.00 C ATOM 142 O SER A 16 5.543 17.177 -3.324 1.00 0.00 O ATOM 143 CB SER A 16 5.590 15.934 -5.818 1.00 0.00 C ATOM 144 OG SER A 16 6.936 16.366 -5.938 1.00 0.00 O ATOM 0 H SER A 16 3.421 14.534 -4.996 1.00 0.00 H new ATOM 0 HA SER A 16 6.304 14.576 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.319 15.334 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.927 16.799 -5.809 1.00 0.00 H new ATOM 0 HG SER A 16 7.040 16.886 -6.762 1.00 0.00 H new ATOM 150 N LEU A 17 4.269 15.551 -2.432 1.00 0.00 N ATOM 151 CA LEU A 17 3.892 16.334 -1.257 1.00 0.00 C ATOM 152 C LEU A 17 3.427 17.736 -1.646 1.00 0.00 C ATOM 153 O LEU A 17 4.042 18.733 -1.271 1.00 0.00 O ATOM 154 CB LEU A 17 5.070 16.425 -0.285 1.00 0.00 C ATOM 155 CG LEU A 17 5.353 15.151 0.511 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.039 14.115 -0.366 1.00 0.00 C ATOM 157 CD2 LEU A 17 6.203 15.464 1.734 1.00 0.00 C ATOM 0 H LEU A 17 3.869 14.613 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 17 3.060 15.826 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.965 16.690 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.881 17.238 0.416 1.00 0.00 H new ATOM 0 HG LEU A 17 4.403 14.738 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.233 13.215 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.395 13.869 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.982 14.518 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.395 14.545 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.150 15.901 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.674 16.170 2.374 1.00 0.00 H new ATOM 169 N VAL A 18 2.333 17.803 -2.398 1.00 0.00 N ATOM 170 CA VAL A 18 1.783 19.082 -2.832 1.00 0.00 C ATOM 171 C VAL A 18 0.383 19.295 -2.262 1.00 0.00 C ATOM 172 O VAL A 18 -0.564 18.603 -2.634 1.00 0.00 O ATOM 173 CB VAL A 18 1.730 19.184 -4.370 1.00 0.00 C ATOM 174 CG1 VAL A 18 0.875 18.072 -4.956 1.00 0.00 C ATOM 175 CG2 VAL A 18 1.210 20.549 -4.802 1.00 0.00 C ATOM 0 H VAL A 18 1.811 16.988 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 18 2.448 19.859 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 18 2.744 19.069 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.852 18.164 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.298 17.105 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.139 18.148 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.181 20.599 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.206 20.698 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.871 21.327 -4.420 1.00 0.00 H new ATOM 185 N GLY A 19 0.263 20.254 -1.350 1.00 0.00 N ATOM 186 CA GLY A 19 -1.020 20.538 -0.737 1.00 0.00 C ATOM 187 C GLY A 19 -1.080 20.084 0.708 1.00 0.00 C ATOM 188 O GLY A 19 -1.525 18.975 1.000 1.00 0.00 O ATOM 0 H GLY A 19 1.032 20.840 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.215 21.609 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.809 20.043 -1.304 1.00 0.00 H new ATOM 192 N SER A 20 -0.622 20.946 1.615 1.00 0.00 N ATOM 193 CA SER A 20 -0.614 20.636 3.044 1.00 0.00 C ATOM 194 C SER A 20 0.523 19.677 3.401 1.00 0.00 C ATOM 195 O SER A 20 0.657 19.268 4.554 1.00 0.00 O ATOM 196 CB SER A 20 -1.958 20.040 3.474 1.00 0.00 C ATOM 197 OG SER A 20 -2.467 20.700 4.620 1.00 0.00 O ATOM 0 H SER A 20 -0.250 21.868 1.384 1.00 0.00 H new ATOM 0 HA SER A 20 -0.452 21.570 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.674 20.122 2.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.837 18.978 3.686 1.00 0.00 H new ATOM 0 HG SER A 20 -3.326 20.302 4.872 1.00 0.00 H new ATOM 203 N ARG A 21 1.343 19.325 2.410 1.00 0.00 N ATOM 204 CA ARG A 21 2.469 18.420 2.628 1.00 0.00 C ATOM 205 C ARG A 21 2.017 17.124 3.299 1.00 0.00 C ATOM 206 O ARG A 21 1.797 17.084 4.510 1.00 0.00 O ATOM 207 CB ARG A 21 3.543 19.106 3.477 1.00 0.00 C ATOM 208 CG ARG A 21 4.886 19.227 2.774 1.00 0.00 C ATOM 209 CD ARG A 21 4.749 19.886 1.409 1.00 0.00 C ATOM 210 NE ARG A 21 5.530 21.117 1.315 1.00 0.00 N ATOM 211 CZ ARG A 21 6.842 21.149 1.096 1.00 0.00 C ATOM 212 NH1 ARG A 21 7.526 20.020 0.947 1.00 0.00 N ATOM 213 NH2 ARG A 21 7.475 22.312 1.023 1.00 0.00 N ATOM 0 H ARG A 21 1.247 19.653 1.449 1.00 0.00 H new ATOM 0 HA ARG A 21 2.890 18.167 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.195 20.101 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.676 18.546 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.569 19.809 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.326 18.237 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.075 19.190 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.699 20.107 1.217 1.00 0.00 H new ATOM 0 HE ARG A 21 5.040 22.005 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.046 19.122 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.532 20.051 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.956 23.183 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.481 22.336 0.855 1.00 0.00 H new ATOM 227 N GLY A 22 1.887 16.066 2.506 1.00 0.00 N ATOM 228 CA GLY A 22 1.467 14.785 3.042 1.00 0.00 C ATOM 229 C GLY A 22 0.701 13.955 2.032 1.00 0.00 C ATOM 230 O GLY A 22 -0.049 14.491 1.217 1.00 0.00 O ATOM 0 H GLY A 22 2.065 16.073 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.344 14.229 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.843 14.950 3.920 1.00 0.00 H new ATOM 234 N LEU A 23 0.885 12.639 2.089 1.00 0.00 N ATOM 235 CA LEU A 23 0.206 11.730 1.179 1.00 0.00 C ATOM 236 C LEU A 23 -1.245 11.530 1.612 1.00 0.00 C ATOM 237 O LEU A 23 -2.166 11.634 0.802 1.00 0.00 O ATOM 238 CB LEU A 23 0.944 10.388 1.136 1.00 0.00 C ATOM 239 CG LEU A 23 0.130 9.203 0.616 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.236 9.404 -0.845 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.900 7.903 0.802 1.00 0.00 C ATOM 0 H LEU A 23 1.502 12.180 2.759 1.00 0.00 H new ATOM 0 HA LEU A 23 0.208 12.163 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.829 10.500 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.293 10.153 2.142 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.792 9.141 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.815 8.550 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.829 10.312 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.674 9.494 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.305 7.071 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.840 7.955 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.108 7.751 1.861 1.00 0.00 H new ATOM 253 N GLY A 24 -1.435 11.251 2.896 1.00 0.00 N ATOM 254 CA GLY A 24 -2.772 11.047 3.423 1.00 0.00 C ATOM 255 C GLY A 24 -3.265 9.627 3.237 1.00 0.00 C ATOM 256 O GLY A 24 -4.458 9.400 3.034 1.00 0.00 O ATOM 0 H GLY A 24 -0.686 11.162 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.781 11.294 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.461 11.733 2.930 1.00 0.00 H new ATOM 260 N CYS A 25 -2.349 8.667 3.301 1.00 0.00 N ATOM 261 CA CYS A 25 -2.703 7.262 3.134 1.00 0.00 C ATOM 262 C CYS A 25 -1.727 6.364 3.889 1.00 0.00 C ATOM 263 O CYS A 25 -0.592 6.754 4.161 1.00 0.00 O ATOM 264 CB CYS A 25 -2.731 6.908 1.638 1.00 0.00 C ATOM 265 SG CYS A 25 -2.587 5.141 1.262 1.00 0.00 S ATOM 0 H CYS A 25 -1.357 8.836 3.467 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.696 7.096 3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.662 7.280 1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.918 7.437 1.140 1.00 0.00 H new ATOM 0 HG CYS A 25 -1.344 4.849 1.017 1.00 0.00 H new ATOM 271 N SER A 26 -2.179 5.159 4.226 1.00 0.00 N ATOM 272 CA SER A 26 -1.348 4.204 4.950 1.00 0.00 C ATOM 273 C SER A 26 -1.055 2.985 4.085 1.00 0.00 C ATOM 274 O SER A 26 -1.591 2.853 2.986 1.00 0.00 O ATOM 275 CB SER A 26 -2.042 3.772 6.243 1.00 0.00 C ATOM 276 OG SER A 26 -1.346 2.708 6.868 1.00 0.00 O ATOM 0 H SER A 26 -3.117 4.821 4.009 1.00 0.00 H new ATOM 0 HA SER A 26 -0.404 4.690 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.105 4.619 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.064 3.463 6.024 1.00 0.00 H new ATOM 0 HG SER A 26 -1.670 1.853 6.515 1.00 0.00 H new ATOM 282 N ILE A 27 -0.201 2.099 4.582 1.00 0.00 N ATOM 283 CA ILE A 27 0.159 0.893 3.845 1.00 0.00 C ATOM 284 C ILE A 27 0.186 -0.325 4.759 1.00 0.00 C ATOM 285 O ILE A 27 0.686 -0.264 5.883 1.00 0.00 O ATOM 286 CB ILE A 27 1.528 1.039 3.156 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.554 1.630 4.124 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.405 1.904 1.910 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.931 1.790 3.520 1.00 0.00 C ATOM 0 H ILE A 27 0.255 2.192 5.490 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.607 0.752 3.082 1.00 0.00 H new ATOM 0 HB ILE A 27 1.872 0.050 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.201 2.603 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.624 0.989 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.381 1.998 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.705 1.442 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.041 2.893 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.607 2.214 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.305 0.816 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.875 2.455 2.658 1.00 0.00 H new ATOM 301 N SER A 28 -0.359 -1.435 4.268 1.00 0.00 N ATOM 302 CA SER A 28 -0.404 -2.674 5.035 1.00 0.00 C ATOM 303 C SER A 28 0.341 -3.787 4.308 1.00 0.00 C ATOM 304 O SER A 28 0.589 -3.699 3.106 1.00 0.00 O ATOM 305 CB SER A 28 -1.854 -3.091 5.284 1.00 0.00 C ATOM 306 OG SER A 28 -2.652 -2.878 4.132 1.00 0.00 O ATOM 0 H SER A 28 -0.776 -1.500 3.340 1.00 0.00 H new ATOM 0 HA SER A 28 0.085 -2.499 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.890 -4.144 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.260 -2.523 6.121 1.00 0.00 H new ATOM 0 HG SER A 28 -3.574 -3.154 4.317 1.00 0.00 H new ATOM 312 N SER A 29 0.695 -4.837 5.042 1.00 0.00 N ATOM 313 CA SER A 29 1.411 -5.966 4.463 1.00 0.00 C ATOM 314 C SER A 29 0.482 -7.163 4.287 1.00 0.00 C ATOM 315 O SER A 29 -0.517 -7.293 4.995 1.00 0.00 O ATOM 316 CB SER A 29 2.599 -6.352 5.347 1.00 0.00 C ATOM 317 OG SER A 29 2.215 -6.441 6.707 1.00 0.00 O ATOM 0 H SER A 29 0.497 -4.929 6.038 1.00 0.00 H new ATOM 0 HA SER A 29 1.781 -5.667 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.006 -7.308 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.393 -5.613 5.238 1.00 0.00 H new ATOM 0 HG SER A 29 2.991 -6.691 7.250 1.00 0.00 H new ATOM 323 N GLY A 30 0.813 -8.031 3.336 1.00 0.00 N ATOM 324 CA GLY A 30 -0.007 -9.202 3.084 1.00 0.00 C ATOM 325 C GLY A 30 0.631 -10.483 3.586 1.00 0.00 C ATOM 326 O GLY A 30 1.732 -10.457 4.134 1.00 0.00 O ATOM 0 H GLY A 30 1.633 -7.945 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.977 -9.072 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.191 -9.288 2.013 1.00 0.00 H new ATOM 330 N PRO A 31 -0.045 -11.631 3.411 1.00 0.00 N ATOM 331 CA PRO A 31 0.472 -12.930 3.857 1.00 0.00 C ATOM 332 C PRO A 31 1.614 -13.432 2.979 1.00 0.00 C ATOM 333 O PRO A 31 2.151 -12.691 2.158 1.00 0.00 O ATOM 334 CB PRO A 31 -0.742 -13.850 3.732 1.00 0.00 C ATOM 335 CG PRO A 31 -1.567 -13.241 2.653 1.00 0.00 C ATOM 336 CD PRO A 31 -1.368 -11.754 2.767 1.00 0.00 C ATOM 0 HA PRO A 31 0.889 -12.882 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.444 -14.867 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.295 -13.906 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.255 -13.602 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.618 -13.504 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.385 -11.271 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.151 -11.289 3.366 1.00 0.00 H new ATOM 344 N ILE A 32 1.977 -14.698 3.160 1.00 0.00 N ATOM 345 CA ILE A 32 3.053 -15.303 2.385 1.00 0.00 C ATOM 346 C ILE A 32 2.599 -15.612 0.961 1.00 0.00 C ATOM 347 O ILE A 32 3.410 -15.653 0.037 1.00 0.00 O ATOM 348 CB ILE A 32 3.558 -16.602 3.043 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.878 -16.362 4.520 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.785 -17.126 2.311 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.734 -17.600 5.377 1.00 0.00 C ATOM 0 H ILE A 32 1.541 -15.324 3.837 1.00 0.00 H new ATOM 0 HA ILE A 32 3.867 -14.579 2.356 1.00 0.00 H new ATOM 0 HB ILE A 32 2.770 -17.353 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.898 -15.986 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.218 -15.584 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.129 -18.044 2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.528 -17.332 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.578 -16.379 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.976 -17.357 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.708 -17.964 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.414 -18.373 5.017 1.00 0.00 H new ATOM 363 N GLN A 33 1.298 -15.831 0.793 1.00 0.00 N ATOM 364 CA GLN A 33 0.737 -16.138 -0.518 1.00 0.00 C ATOM 365 C GLN A 33 0.948 -14.978 -1.485 1.00 0.00 C ATOM 366 O GLN A 33 1.136 -15.184 -2.684 1.00 0.00 O ATOM 367 CB GLN A 33 -0.754 -16.452 -0.397 1.00 0.00 C ATOM 368 CG GLN A 33 -1.047 -17.715 0.397 1.00 0.00 C ATOM 369 CD GLN A 33 -2.246 -17.563 1.314 1.00 0.00 C ATOM 370 OE1 GLN A 33 -3.341 -17.212 0.872 1.00 0.00 O ATOM 371 NE2 GLN A 33 -2.045 -17.826 2.600 1.00 0.00 N ATOM 0 H GLN A 33 0.613 -15.801 1.548 1.00 0.00 H new ATOM 0 HA GLN A 33 1.254 -17.013 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.257 -15.609 0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.178 -16.554 -1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.224 -18.540 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.171 -17.978 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.121 -18.114 2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.814 -17.740 3.264 1.00 0.00 H new ATOM 380 N LYS A 34 0.916 -13.759 -0.957 1.00 0.00 N ATOM 381 CA LYS A 34 1.102 -12.566 -1.776 1.00 0.00 C ATOM 382 C LYS A 34 1.746 -11.444 -0.965 1.00 0.00 C ATOM 383 O LYS A 34 1.072 -10.496 -0.556 1.00 0.00 O ATOM 384 CB LYS A 34 -0.239 -12.101 -2.347 1.00 0.00 C ATOM 385 CG LYS A 34 -0.428 -12.448 -3.815 1.00 0.00 C ATOM 386 CD LYS A 34 -1.799 -12.023 -4.316 1.00 0.00 C ATOM 387 CE LYS A 34 -2.804 -13.159 -4.225 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.995 -13.837 -5.538 1.00 0.00 N ATOM 0 H LYS A 34 0.763 -13.571 0.034 1.00 0.00 H new ATOM 0 HA LYS A 34 1.769 -12.819 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.046 -12.551 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.322 -11.021 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.345 -11.959 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.305 -13.522 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.154 -11.175 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.721 -11.687 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.465 -13.886 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.760 -12.771 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.688 -14.606 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.343 -13.149 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.088 -14.230 -5.861 1.00 0.00 H new ATOM 402 N PRO A 35 3.064 -11.534 -0.721 1.00 0.00 N ATOM 403 CA PRO A 35 3.799 -10.521 0.042 1.00 0.00 C ATOM 404 C PRO A 35 4.046 -9.254 -0.767 1.00 0.00 C ATOM 405 O PRO A 35 4.319 -9.315 -1.966 1.00 0.00 O ATOM 406 CB PRO A 35 5.119 -11.218 0.363 1.00 0.00 C ATOM 407 CG PRO A 35 5.319 -12.176 -0.759 1.00 0.00 C ATOM 408 CD PRO A 35 3.945 -12.630 -1.172 1.00 0.00 C ATOM 0 HA PRO A 35 3.249 -10.190 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.940 -10.504 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.072 -11.734 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.838 -11.699 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.931 -13.022 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.880 -12.779 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.678 -13.577 -0.703 1.00 0.00 H new ATOM 416 N GLY A 36 3.951 -8.105 -0.104 1.00 0.00 N ATOM 417 CA GLY A 36 4.169 -6.841 -0.780 1.00 0.00 C ATOM 418 C GLY A 36 3.555 -5.673 -0.033 1.00 0.00 C ATOM 419 O GLY A 36 2.823 -5.864 0.937 1.00 0.00 O ATOM 0 H GLY A 36 3.727 -8.028 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.240 -6.673 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.745 -6.891 -1.783 1.00 0.00 H new ATOM 423 N ILE A 37 3.854 -4.460 -0.487 1.00 0.00 N ATOM 424 CA ILE A 37 3.325 -3.257 0.145 1.00 0.00 C ATOM 425 C ILE A 37 1.920 -2.947 -0.355 1.00 0.00 C ATOM 426 O ILE A 37 1.723 -2.639 -1.532 1.00 0.00 O ATOM 427 CB ILE A 37 4.230 -2.036 -0.111 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.704 -2.418 0.044 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.869 -0.903 0.837 1.00 0.00 C ATOM 430 CD1 ILE A 37 6.037 -3.003 1.400 1.00 0.00 C ATOM 0 H ILE A 37 4.459 -4.284 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 37 3.293 -3.454 1.217 1.00 0.00 H new ATOM 0 HB ILE A 37 4.071 -1.695 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.967 -3.140 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.320 -1.534 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.516 -0.047 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.830 -0.614 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.002 -1.234 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.098 -3.251 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.806 -2.275 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.448 -3.906 1.562 1.00 0.00 H new ATOM 442 N PHE A 38 0.946 -3.034 0.543 1.00 0.00 N ATOM 443 CA PHE A 38 -0.444 -2.765 0.192 1.00 0.00 C ATOM 444 C PHE A 38 -0.876 -1.389 0.684 1.00 0.00 C ATOM 445 O PHE A 38 -0.124 -0.701 1.375 1.00 0.00 O ATOM 446 CB PHE A 38 -1.354 -3.847 0.777 1.00 0.00 C ATOM 447 CG PHE A 38 -1.045 -5.222 0.260 1.00 0.00 C ATOM 448 CD1 PHE A 38 -1.644 -5.693 -0.896 1.00 0.00 C ATOM 449 CD2 PHE A 38 -0.148 -6.042 0.927 1.00 0.00 C ATOM 450 CE1 PHE A 38 -1.358 -6.956 -1.377 1.00 0.00 C ATOM 451 CE2 PHE A 38 0.142 -7.306 0.451 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.463 -7.763 -0.703 1.00 0.00 C ATOM 0 H PHE A 38 1.093 -3.289 1.520 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.530 -2.778 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.259 -3.844 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.391 -3.604 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.343 -5.065 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.329 -5.689 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.834 -7.312 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.841 -7.936 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.237 -8.750 -1.078 1.00 0.00 H new ATOM 462 N ILE A 39 -2.087 -0.990 0.312 1.00 0.00 N ATOM 463 CA ILE A 39 -2.613 0.310 0.703 1.00 0.00 C ATOM 464 C ILE A 39 -3.709 0.177 1.759 1.00 0.00 C ATOM 465 O ILE A 39 -4.602 -0.663 1.645 1.00 0.00 O ATOM 466 CB ILE A 39 -3.167 1.075 -0.521 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.017 1.551 -1.409 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.026 2.256 -0.087 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.174 2.635 -0.774 1.00 0.00 C ATOM 0 H ILE A 39 -2.721 -1.548 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.784 0.873 1.131 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.797 0.393 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.379 0.701 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.424 1.922 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.402 2.776 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.865 1.896 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.426 2.942 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.377 2.925 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.799 3.501 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.738 2.261 0.152 1.00 0.00 H new ATOM 481 N SER A 40 -3.629 1.023 2.778 1.00 0.00 N ATOM 482 CA SER A 40 -4.605 1.029 3.861 1.00 0.00 C ATOM 483 C SER A 40 -5.526 2.239 3.735 1.00 0.00 C ATOM 484 O SER A 40 -5.514 2.936 2.722 1.00 0.00 O ATOM 485 CB SER A 40 -3.896 1.043 5.217 1.00 0.00 C ATOM 486 OG SER A 40 -4.051 -0.198 5.885 1.00 0.00 O ATOM 0 H SER A 40 -2.891 1.720 2.877 1.00 0.00 H new ATOM 0 HA SER A 40 -5.206 0.122 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.836 1.253 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.300 1.845 5.834 1.00 0.00 H new ATOM 0 HG SER A 40 -4.200 -0.039 6.840 1.00 0.00 H new ATOM 492 N HIS A 41 -6.323 2.484 4.769 1.00 0.00 N ATOM 493 CA HIS A 41 -7.248 3.613 4.771 1.00 0.00 C ATOM 494 C HIS A 41 -6.511 4.919 4.487 1.00 0.00 C ATOM 495 O HIS A 41 -5.391 5.123 4.955 1.00 0.00 O ATOM 496 CB HIS A 41 -7.972 3.705 6.117 1.00 0.00 C ATOM 497 CG HIS A 41 -7.061 3.560 7.296 1.00 0.00 C ATOM 498 ND1 HIS A 41 -5.879 4.258 7.425 1.00 0.00 N ATOM 499 CD2 HIS A 41 -7.166 2.791 8.406 1.00 0.00 C ATOM 500 CE1 HIS A 41 -5.294 3.923 8.561 1.00 0.00 C ATOM 501 NE2 HIS A 41 -6.054 3.036 9.175 1.00 0.00 N ATOM 0 H HIS A 41 -6.348 1.917 5.616 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.982 3.451 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.485 4.665 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.738 2.931 6.162 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -5.513 4.928 6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.972 2.113 8.642 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.354 4.309 8.925 1.00 0.00 H new ATOM 510 N VAL A 42 -7.144 5.798 3.716 1.00 0.00 N ATOM 511 CA VAL A 42 -6.541 7.080 3.372 1.00 0.00 C ATOM 512 C VAL A 42 -7.448 8.241 3.777 1.00 0.00 C ATOM 513 O VAL A 42 -8.673 8.123 3.750 1.00 0.00 O ATOM 514 CB VAL A 42 -6.217 7.166 1.861 1.00 0.00 C ATOM 515 CG1 VAL A 42 -5.672 5.840 1.354 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.438 7.580 1.053 1.00 0.00 C ATOM 0 H VAL A 42 -8.071 5.646 3.319 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.607 7.155 3.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.453 7.932 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.450 5.921 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.760 5.590 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.414 5.057 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.175 7.631 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.233 6.848 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.782 8.558 1.389 1.00 0.00 H new ATOM 526 N LYS A 43 -6.839 9.360 4.155 1.00 0.00 N ATOM 527 CA LYS A 43 -7.592 10.538 4.571 1.00 0.00 C ATOM 528 C LYS A 43 -7.768 11.517 3.409 1.00 0.00 C ATOM 529 O LYS A 43 -6.954 11.551 2.487 1.00 0.00 O ATOM 530 CB LYS A 43 -6.886 11.236 5.735 1.00 0.00 C ATOM 531 CG LYS A 43 -6.561 10.305 6.893 1.00 0.00 C ATOM 532 CD LYS A 43 -5.083 10.349 7.250 1.00 0.00 C ATOM 533 CE LYS A 43 -4.824 11.243 8.452 1.00 0.00 C ATOM 534 NZ LYS A 43 -4.555 10.453 9.685 1.00 0.00 N ATOM 0 H LYS A 43 -5.826 9.476 4.182 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.579 10.208 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.963 11.687 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.516 12.048 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.154 10.585 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.842 9.285 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.729 9.340 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.512 10.713 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.974 11.893 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.686 11.889 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.384 11.100 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.376 9.852 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.717 9.855 9.538 1.00 0.00 H new ATOM 548 N PRO A 44 -8.841 12.328 3.443 1.00 0.00 N ATOM 549 CA PRO A 44 -9.122 13.310 2.391 1.00 0.00 C ATOM 550 C PRO A 44 -8.179 14.507 2.449 1.00 0.00 C ATOM 551 O PRO A 44 -7.308 14.581 3.315 1.00 0.00 O ATOM 552 CB PRO A 44 -10.557 13.744 2.693 1.00 0.00 C ATOM 553 CG PRO A 44 -10.709 13.544 4.159 1.00 0.00 C ATOM 554 CD PRO A 44 -9.861 12.351 4.509 1.00 0.00 C ATOM 0 HA PRO A 44 -8.988 12.892 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.723 14.785 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.278 13.147 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.384 14.428 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.752 13.371 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.409 12.456 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.447 11.432 4.523 1.00 0.00 H new ATOM 562 N GLY A 45 -8.359 15.444 1.522 1.00 0.00 N ATOM 563 CA GLY A 45 -7.516 16.627 1.486 1.00 0.00 C ATOM 564 C GLY A 45 -6.039 16.283 1.465 1.00 0.00 C ATOM 565 O GLY A 45 -5.218 16.998 2.040 1.00 0.00 O ATOM 0 H GLY A 45 -9.073 15.405 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.761 17.218 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.729 17.249 2.356 1.00 0.00 H new ATOM 569 N SER A 46 -5.703 15.184 0.800 1.00 0.00 N ATOM 570 CA SER A 46 -4.319 14.736 0.704 1.00 0.00 C ATOM 571 C SER A 46 -3.959 14.391 -0.737 1.00 0.00 C ATOM 572 O SER A 46 -4.683 14.737 -1.669 1.00 0.00 O ATOM 573 CB SER A 46 -4.100 13.522 1.602 1.00 0.00 C ATOM 574 OG SER A 46 -4.551 12.334 0.974 1.00 0.00 O ATOM 0 H SER A 46 -6.373 14.585 0.318 1.00 0.00 H new ATOM 0 HA SER A 46 -3.671 15.548 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.041 13.430 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.630 13.663 2.544 1.00 0.00 H new ATOM 0 HG SER A 46 -3.783 11.839 0.620 1.00 0.00 H new ATOM 580 N LEU A 47 -2.835 13.699 -0.913 1.00 0.00 N ATOM 581 CA LEU A 47 -2.385 13.301 -2.242 1.00 0.00 C ATOM 582 C LEU A 47 -2.981 11.956 -2.633 1.00 0.00 C ATOM 583 O LEU A 47 -3.420 11.766 -3.768 1.00 0.00 O ATOM 584 CB LEU A 47 -0.859 13.226 -2.289 1.00 0.00 C ATOM 585 CG LEU A 47 -0.136 14.525 -1.935 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.241 14.230 -1.362 1.00 0.00 C ATOM 587 CD2 LEU A 47 -0.030 15.423 -3.157 1.00 0.00 C ATOM 0 H LEU A 47 -2.222 13.404 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.725 14.054 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.528 12.445 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.556 12.921 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.716 15.048 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.741 15.167 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.138 13.626 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.832 13.686 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.487 16.344 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.528 14.908 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.029 15.661 -3.521 1.00 0.00 H new ATOM 599 N SER A 48 -2.996 11.022 -1.685 1.00 0.00 N ATOM 600 CA SER A 48 -3.544 9.692 -1.932 1.00 0.00 C ATOM 601 C SER A 48 -4.959 9.790 -2.490 1.00 0.00 C ATOM 602 O SER A 48 -5.339 9.036 -3.384 1.00 0.00 O ATOM 603 CB SER A 48 -3.546 8.870 -0.643 1.00 0.00 C ATOM 604 OG SER A 48 -3.820 9.689 0.483 1.00 0.00 O ATOM 0 H SER A 48 -2.636 11.162 -0.741 1.00 0.00 H new ATOM 0 HA SER A 48 -2.913 9.193 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.294 8.080 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.579 8.384 -0.516 1.00 0.00 H new ATOM 0 HG SER A 48 -2.997 10.137 0.769 1.00 0.00 H new ATOM 610 N ALA A 49 -5.729 10.733 -1.962 1.00 0.00 N ATOM 611 CA ALA A 49 -7.097 10.943 -2.411 1.00 0.00 C ATOM 612 C ALA A 49 -7.115 11.686 -3.739 1.00 0.00 C ATOM 613 O ALA A 49 -7.970 11.443 -4.591 1.00 0.00 O ATOM 614 CB ALA A 49 -7.879 11.720 -1.367 1.00 0.00 C ATOM 0 H ALA A 49 -5.427 11.365 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.567 9.970 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.901 11.870 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.893 11.160 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.405 12.688 -1.203 1.00 0.00 H new ATOM 620 N GLU A 50 -6.163 12.594 -3.904 1.00 0.00 N ATOM 621 CA GLU A 50 -6.056 13.384 -5.122 1.00 0.00 C ATOM 622 C GLU A 50 -5.735 12.496 -6.320 1.00 0.00 C ATOM 623 O GLU A 50 -6.298 12.666 -7.401 1.00 0.00 O ATOM 624 CB GLU A 50 -4.978 14.455 -4.959 1.00 0.00 C ATOM 625 CG GLU A 50 -5.480 15.725 -4.290 1.00 0.00 C ATOM 626 CD GLU A 50 -5.682 16.862 -5.274 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.288 16.623 -6.340 1.00 0.00 O ATOM 628 OE2 GLU A 50 -5.233 17.989 -4.980 1.00 0.00 O ATOM 0 H GLU A 50 -5.450 12.802 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.016 13.867 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.156 14.045 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.575 14.706 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.422 15.516 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.768 16.034 -3.525 1.00 0.00 H new ATOM 635 N VAL A 51 -4.823 11.549 -6.121 1.00 0.00 N ATOM 636 CA VAL A 51 -4.426 10.634 -7.185 1.00 0.00 C ATOM 637 C VAL A 51 -5.460 9.529 -7.373 1.00 0.00 C ATOM 638 O VAL A 51 -5.696 9.070 -8.492 1.00 0.00 O ATOM 639 CB VAL A 51 -3.055 9.992 -6.894 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.966 11.053 -6.841 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.097 9.198 -5.597 1.00 0.00 C ATOM 0 H VAL A 51 -4.345 11.396 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.356 11.224 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.821 9.304 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.006 10.579 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.916 11.571 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.194 11.769 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.119 8.753 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.357 9.862 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.845 8.409 -5.677 1.00 0.00 H new ATOM 651 N GLY A 52 -6.072 9.104 -6.273 1.00 0.00 N ATOM 652 CA GLY A 52 -7.073 8.054 -6.338 1.00 0.00 C ATOM 653 C GLY A 52 -6.623 6.787 -5.639 1.00 0.00 C ATOM 654 O GLY A 52 -6.513 5.731 -6.261 1.00 0.00 O ATOM 0 H GLY A 52 -5.893 9.468 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.998 8.408 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.296 7.831 -7.382 1.00 0.00 H new ATOM 658 N LEU A 53 -6.358 6.895 -4.340 1.00 0.00 N ATOM 659 CA LEU A 53 -5.912 5.750 -3.554 1.00 0.00 C ATOM 660 C LEU A 53 -6.986 5.315 -2.562 1.00 0.00 C ATOM 661 O LEU A 53 -7.930 6.055 -2.289 1.00 0.00 O ATOM 662 CB LEU A 53 -4.622 6.092 -2.804 1.00 0.00 C ATOM 663 CG LEU A 53 -3.340 5.962 -3.624 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.171 6.599 -2.891 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.050 4.499 -3.928 1.00 0.00 C ATOM 0 H LEU A 53 -6.444 7.763 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.721 4.925 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.696 7.115 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.544 5.442 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.479 6.488 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.266 6.497 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.378 7.656 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.029 6.102 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.133 4.424 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.931 3.950 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.878 4.074 -4.495 1.00 0.00 H new ATOM 677 N GLU A 54 -6.828 4.109 -2.027 1.00 0.00 N ATOM 678 CA GLU A 54 -7.778 3.564 -1.061 1.00 0.00 C ATOM 679 C GLU A 54 -7.403 2.132 -0.694 1.00 0.00 C ATOM 680 O GLU A 54 -6.597 1.498 -1.375 1.00 0.00 O ATOM 681 CB GLU A 54 -9.202 3.606 -1.626 1.00 0.00 C ATOM 682 CG GLU A 54 -10.114 4.582 -0.901 1.00 0.00 C ATOM 683 CD GLU A 54 -11.560 4.469 -1.347 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.798 4.357 -2.568 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.452 4.491 -0.475 1.00 0.00 O ATOM 0 H GLU A 54 -6.049 3.488 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.741 4.178 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.158 3.877 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.635 2.607 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.053 4.402 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.763 5.599 -1.074 1.00 0.00 H new ATOM 692 N ILE A 55 -7.992 1.624 0.384 1.00 0.00 N ATOM 693 CA ILE A 55 -7.715 0.265 0.833 1.00 0.00 C ATOM 694 C ILE A 55 -7.963 -0.742 -0.286 1.00 0.00 C ATOM 695 O ILE A 55 -8.924 -0.617 -1.046 1.00 0.00 O ATOM 696 CB ILE A 55 -8.580 -0.115 2.052 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.440 0.938 3.155 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.191 -1.491 2.573 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.758 1.342 3.776 1.00 0.00 C ATOM 0 H ILE A 55 -8.662 2.132 0.961 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.664 0.235 1.122 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.624 -0.149 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.784 0.551 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.956 1.823 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.811 -1.743 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.340 -2.233 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.143 -1.484 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.582 2.090 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.409 1.760 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.234 0.468 4.219 1.00 0.00 H new ATOM 711 N GLY A 56 -7.087 -1.735 -0.385 1.00 0.00 N ATOM 712 CA GLY A 56 -7.224 -2.745 -1.417 1.00 0.00 C ATOM 713 C GLY A 56 -6.135 -2.642 -2.467 1.00 0.00 C ATOM 714 O GLY A 56 -5.734 -3.645 -3.057 1.00 0.00 O ATOM 0 H GLY A 56 -6.284 -1.859 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.194 -3.735 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.198 -2.644 -1.895 1.00 0.00 H new ATOM 718 N ASP A 57 -5.653 -1.426 -2.696 1.00 0.00 N ATOM 719 CA ASP A 57 -4.601 -1.192 -3.675 1.00 0.00 C ATOM 720 C ASP A 57 -3.274 -1.759 -3.179 1.00 0.00 C ATOM 721 O ASP A 57 -3.130 -2.080 -1.999 1.00 0.00 O ATOM 722 CB ASP A 57 -4.462 0.305 -3.952 1.00 0.00 C ATOM 723 CG ASP A 57 -5.621 0.853 -4.762 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.239 0.071 -5.516 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.910 2.061 -4.643 1.00 0.00 O ATOM 0 H ASP A 57 -5.975 -0.586 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.871 -1.699 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.397 0.842 -3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.530 0.488 -4.487 1.00 0.00 H new ATOM 730 N GLN A 58 -2.305 -1.882 -4.082 1.00 0.00 N ATOM 731 CA GLN A 58 -0.995 -2.413 -3.722 1.00 0.00 C ATOM 732 C GLN A 58 0.098 -1.843 -4.619 1.00 0.00 C ATOM 733 O GLN A 58 0.101 -2.068 -5.830 1.00 0.00 O ATOM 734 CB GLN A 58 -0.999 -3.940 -3.815 1.00 0.00 C ATOM 735 CG GLN A 58 0.323 -4.576 -3.413 1.00 0.00 C ATOM 736 CD GLN A 58 0.789 -5.628 -4.400 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.008 -5.338 -5.576 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.943 -6.859 -3.926 1.00 0.00 N ATOM 0 H GLN A 58 -2.402 -1.622 -5.064 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.784 -2.115 -2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.791 -4.333 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.238 -4.233 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.084 -3.800 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.219 -5.029 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.750 -7.055 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.254 -7.608 -4.544 1.00 0.00 H new ATOM 747 N ILE A 59 1.029 -1.111 -4.016 1.00 0.00 N ATOM 748 CA ILE A 59 2.131 -0.516 -4.762 1.00 0.00 C ATOM 749 C ILE A 59 3.087 -1.592 -5.263 1.00 0.00 C ATOM 750 O ILE A 59 3.701 -2.308 -4.473 1.00 0.00 O ATOM 751 CB ILE A 59 2.914 0.493 -3.901 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.955 1.451 -3.190 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.906 1.265 -4.759 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.155 1.505 -1.692 1.00 0.00 C ATOM 0 H ILE A 59 1.042 -0.916 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 59 1.696 0.010 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 59 3.471 -0.058 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.083 2.452 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.929 1.148 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.451 1.974 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.609 0.569 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.369 1.805 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.442 2.204 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.998 0.513 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.170 1.837 -1.472 1.00 0.00 H new ATOM 766 N VAL A 60 3.201 -1.705 -6.582 1.00 0.00 N ATOM 767 CA VAL A 60 4.076 -2.699 -7.190 1.00 0.00 C ATOM 768 C VAL A 60 5.422 -2.099 -7.596 1.00 0.00 C ATOM 769 O VAL A 60 6.250 -2.774 -8.208 1.00 0.00 O ATOM 770 CB VAL A 60 3.414 -3.342 -8.426 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.128 -4.054 -8.033 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.142 -2.294 -9.497 1.00 0.00 C ATOM 0 H VAL A 60 2.698 -1.120 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 60 4.250 -3.465 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 60 4.102 -4.080 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.675 -4.501 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.352 -4.834 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.435 -3.337 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.675 -2.768 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.475 -1.530 -9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.081 -1.832 -9.801 1.00 0.00 H new ATOM 782 N GLU A 61 5.641 -0.829 -7.254 1.00 0.00 N ATOM 783 CA GLU A 61 6.892 -0.156 -7.589 1.00 0.00 C ATOM 784 C GLU A 61 6.914 1.268 -7.042 1.00 0.00 C ATOM 785 O GLU A 61 5.868 1.867 -6.797 1.00 0.00 O ATOM 786 CB GLU A 61 7.093 -0.132 -9.107 1.00 0.00 C ATOM 787 CG GLU A 61 8.555 -0.130 -9.526 1.00 0.00 C ATOM 788 CD GLU A 61 8.864 0.933 -10.562 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.200 1.992 -10.543 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.769 0.708 -11.392 1.00 0.00 O ATOM 0 H GLU A 61 4.971 -0.250 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 61 7.706 -0.715 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.599 -1.000 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.605 0.753 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.180 0.031 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.815 -1.109 -9.927 1.00 0.00 H new ATOM 797 N VAL A 62 8.117 1.803 -6.854 1.00 0.00 N ATOM 798 CA VAL A 62 8.283 3.157 -6.339 1.00 0.00 C ATOM 799 C VAL A 62 9.613 3.754 -6.794 1.00 0.00 C ATOM 800 O VAL A 62 10.663 3.463 -6.225 1.00 0.00 O ATOM 801 CB VAL A 62 8.218 3.185 -4.798 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.438 4.596 -4.272 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.888 2.632 -4.310 1.00 0.00 C ATOM 0 H VAL A 62 8.992 1.318 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 62 7.463 3.753 -6.738 1.00 0.00 H new ATOM 0 HB VAL A 62 9.017 2.552 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.388 4.590 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.418 4.953 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.666 5.256 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.860 2.660 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.074 3.237 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.775 1.602 -4.650 1.00 0.00 H new ATOM 813 N ASN A 63 9.556 4.595 -7.822 1.00 0.00 N ATOM 814 CA ASN A 63 10.756 5.237 -8.353 1.00 0.00 C ATOM 815 C ASN A 63 11.785 4.197 -8.786 1.00 0.00 C ATOM 816 O ASN A 63 12.990 4.445 -8.737 1.00 0.00 O ATOM 817 CB ASN A 63 11.362 6.175 -7.305 1.00 0.00 C ATOM 818 CG ASN A 63 11.183 7.637 -7.666 1.00 0.00 C ATOM 819 OD1 ASN A 63 10.450 7.973 -8.595 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.854 8.514 -6.928 1.00 0.00 N ATOM 0 H ASN A 63 8.694 4.848 -8.304 1.00 0.00 H new ATOM 0 HA ASN A 63 10.471 5.820 -9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.898 5.983 -6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.425 5.957 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.773 9.512 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.451 8.189 -6.167 1.00 0.00 H new ATOM 827 N GLY A 64 11.304 3.034 -9.209 1.00 0.00 N ATOM 828 CA GLY A 64 12.197 1.976 -9.644 1.00 0.00 C ATOM 829 C GLY A 64 12.331 0.872 -8.615 1.00 0.00 C ATOM 830 O GLY A 64 12.536 -0.291 -8.967 1.00 0.00 O ATOM 0 H GLY A 64 10.311 2.804 -9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.828 1.554 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.181 2.397 -9.851 1.00 0.00 H new ATOM 834 N VAL A 65 12.219 1.234 -7.341 1.00 0.00 N ATOM 835 CA VAL A 65 12.329 0.265 -6.259 1.00 0.00 C ATOM 836 C VAL A 65 11.276 -0.831 -6.393 1.00 0.00 C ATOM 837 O VAL A 65 10.076 -0.557 -6.387 1.00 0.00 O ATOM 838 CB VAL A 65 12.178 0.938 -4.882 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.481 -0.049 -3.766 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.083 2.158 -4.784 1.00 0.00 C ATOM 0 H VAL A 65 12.052 2.192 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 65 13.323 -0.177 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 65 11.145 1.268 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.369 0.446 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.789 -0.889 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.503 -0.413 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.964 2.622 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.121 1.853 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.813 2.874 -5.560 1.00 0.00 H new ATOM 850 N ASP A 66 11.734 -2.072 -6.515 1.00 0.00 N ATOM 851 CA ASP A 66 10.831 -3.209 -6.650 1.00 0.00 C ATOM 852 C ASP A 66 10.001 -3.399 -5.384 1.00 0.00 C ATOM 853 O ASP A 66 10.499 -3.888 -4.371 1.00 0.00 O ATOM 854 CB ASP A 66 11.623 -4.482 -6.954 1.00 0.00 C ATOM 855 CG ASP A 66 11.072 -5.235 -8.149 1.00 0.00 C ATOM 856 OD1 ASP A 66 9.835 -5.374 -8.242 1.00 0.00 O ATOM 857 OD2 ASP A 66 11.877 -5.684 -8.992 1.00 0.00 O ATOM 0 H ASP A 66 12.724 -2.316 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 66 10.152 -3.006 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.665 -4.222 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.609 -5.133 -6.080 1.00 0.00 H new ATOM 862 N PHE A 67 8.732 -3.010 -5.453 1.00 0.00 N ATOM 863 CA PHE A 67 7.831 -3.139 -4.311 1.00 0.00 C ATOM 864 C PHE A 67 7.089 -4.475 -4.336 1.00 0.00 C ATOM 865 O PHE A 67 6.169 -4.695 -3.550 1.00 0.00 O ATOM 866 CB PHE A 67 6.826 -1.984 -4.300 1.00 0.00 C ATOM 867 CG PHE A 67 7.252 -0.826 -3.445 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.556 -0.359 -3.484 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.345 -0.200 -2.603 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.950 0.707 -2.698 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.733 0.867 -1.816 1.00 0.00 C ATOM 872 CZ PHE A 67 8.037 1.321 -1.863 1.00 0.00 C ATOM 0 H PHE A 67 8.304 -2.604 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 67 8.433 -3.103 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.675 -1.635 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.864 -2.353 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.273 -0.834 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.324 -0.551 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.970 1.059 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.017 1.346 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.342 2.155 -1.248 1.00 0.00 H new ATOM 882 N SER A 68 7.494 -5.367 -5.238 1.00 0.00 N ATOM 883 CA SER A 68 6.862 -6.676 -5.351 1.00 0.00 C ATOM 884 C SER A 68 7.189 -7.538 -4.137 1.00 0.00 C ATOM 885 O SER A 68 6.383 -8.369 -3.718 1.00 0.00 O ATOM 886 CB SER A 68 7.321 -7.378 -6.630 1.00 0.00 C ATOM 887 OG SER A 68 6.259 -8.109 -7.221 1.00 0.00 O ATOM 0 H SER A 68 8.255 -5.206 -5.898 1.00 0.00 H new ATOM 0 HA SER A 68 5.782 -6.532 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.697 -6.640 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.147 -8.051 -6.402 1.00 0.00 H new ATOM 0 HG SER A 68 6.578 -8.547 -8.038 1.00 0.00 H new ATOM 893 N ASN A 69 8.374 -7.330 -3.576 1.00 0.00 N ATOM 894 CA ASN A 69 8.811 -8.084 -2.407 1.00 0.00 C ATOM 895 C ASN A 69 9.574 -7.184 -1.439 1.00 0.00 C ATOM 896 O ASN A 69 10.470 -7.639 -0.728 1.00 0.00 O ATOM 897 CB ASN A 69 9.692 -9.259 -2.830 1.00 0.00 C ATOM 898 CG ASN A 69 10.826 -8.835 -3.742 1.00 0.00 C ATOM 899 OD1 ASN A 69 11.957 -8.641 -3.297 1.00 0.00 O ATOM 900 ND2 ASN A 69 10.528 -8.685 -5.027 1.00 0.00 N ATOM 0 H ASN A 69 9.050 -6.645 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 69 7.926 -8.469 -1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.104 -9.738 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.080 -10.003 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.250 -8.398 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.577 -8.856 -5.353 1.00 0.00 H new ATOM 907 N LEU A 70 9.212 -5.904 -1.420 1.00 0.00 N ATOM 908 CA LEU A 70 9.861 -4.938 -0.541 1.00 0.00 C ATOM 909 C LEU A 70 9.279 -5.010 0.866 1.00 0.00 C ATOM 910 O LEU A 70 8.097 -5.297 1.048 1.00 0.00 O ATOM 911 CB LEU A 70 9.700 -3.523 -1.101 1.00 0.00 C ATOM 912 CG LEU A 70 10.463 -2.437 -0.339 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.690 -1.991 -1.119 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.555 -1.248 -0.049 1.00 0.00 C ATOM 0 H LEU A 70 8.473 -5.513 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 70 10.922 -5.183 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.032 -3.519 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.640 -3.268 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 70 10.796 -2.858 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.217 -1.219 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.352 -2.843 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.382 -1.591 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.115 -0.486 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.191 -0.831 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.709 -1.575 0.555 1.00 0.00 H new ATOM 926 N ASP A 71 10.120 -4.746 1.862 1.00 0.00 N ATOM 927 CA ASP A 71 9.690 -4.780 3.256 1.00 0.00 C ATOM 928 C ASP A 71 8.832 -3.565 3.590 1.00 0.00 C ATOM 929 O ASP A 71 8.895 -2.542 2.907 1.00 0.00 O ATOM 930 CB ASP A 71 10.904 -4.835 4.185 1.00 0.00 C ATOM 931 CG ASP A 71 10.673 -5.737 5.383 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.145 -6.853 5.192 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.020 -5.327 6.510 1.00 0.00 O ATOM 0 H ASP A 71 11.103 -4.506 1.730 1.00 0.00 H new ATOM 0 HA ASP A 71 9.089 -5.677 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.770 -5.191 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.140 -3.829 4.531 1.00 0.00 H new ATOM 938 N HIS A 72 8.029 -3.684 4.643 1.00 0.00 N ATOM 939 CA HIS A 72 7.156 -2.595 5.068 1.00 0.00 C ATOM 940 C HIS A 72 7.960 -1.333 5.364 1.00 0.00 C ATOM 941 O HIS A 72 7.660 -0.257 4.849 1.00 0.00 O ATOM 942 CB HIS A 72 6.357 -3.007 6.306 1.00 0.00 C ATOM 943 CG HIS A 72 5.058 -2.277 6.449 1.00 0.00 C ATOM 944 ND1 HIS A 72 3.853 -2.918 6.646 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.778 -0.952 6.426 1.00 0.00 C ATOM 946 CE1 HIS A 72 2.889 -2.019 6.735 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.424 -0.819 6.606 1.00 0.00 N ATOM 0 H HIS A 72 7.965 -4.524 5.218 1.00 0.00 H new ATOM 0 HA HIS A 72 6.465 -2.379 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.160 -4.078 6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.963 -2.831 7.195 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.726 -3.928 6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.488 -0.150 6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.841 -2.230 6.887 1.00 0.00 H new ATOM 956 N LYS A 73 8.987 -1.472 6.198 1.00 0.00 N ATOM 957 CA LYS A 73 9.834 -0.344 6.562 1.00 0.00 C ATOM 958 C LYS A 73 10.494 0.262 5.327 1.00 0.00 C ATOM 959 O LYS A 73 10.615 1.480 5.211 1.00 0.00 O ATOM 960 CB LYS A 73 10.905 -0.784 7.562 1.00 0.00 C ATOM 961 CG LYS A 73 10.341 -1.210 8.908 1.00 0.00 C ATOM 962 CD LYS A 73 11.418 -1.240 9.980 1.00 0.00 C ATOM 963 CE LYS A 73 11.977 0.148 10.251 1.00 0.00 C ATOM 964 NZ LYS A 73 13.419 0.247 9.895 1.00 0.00 N ATOM 0 H LYS A 73 9.251 -2.356 6.634 1.00 0.00 H new ATOM 0 HA LYS A 73 9.204 0.415 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.470 -1.613 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.607 0.036 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.549 -0.523 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.889 -2.198 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.005 -1.652 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.225 -1.903 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.411 0.885 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.846 0.392 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.761 1.209 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.963 -0.438 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.542 0.039 8.883 1.00 0.00 H new ATOM 978 N GLU A 74 10.916 -0.599 4.407 1.00 0.00 N ATOM 979 CA GLU A 74 11.562 -0.150 3.180 1.00 0.00 C ATOM 980 C GLU A 74 10.627 0.742 2.368 1.00 0.00 C ATOM 981 O GLU A 74 11.044 1.764 1.823 1.00 0.00 O ATOM 982 CB GLU A 74 11.998 -1.350 2.339 1.00 0.00 C ATOM 983 CG GLU A 74 13.413 -1.820 2.636 1.00 0.00 C ATOM 984 CD GLU A 74 13.444 -3.060 3.510 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.169 -2.938 4.722 1.00 0.00 O ATOM 986 OE2 GLU A 74 13.742 -4.151 2.980 1.00 0.00 O ATOM 0 H GLU A 74 10.822 -1.611 4.488 1.00 0.00 H new ATOM 0 HA GLU A 74 12.442 0.431 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.306 -2.175 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.925 -1.089 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.927 -2.028 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.962 -1.018 3.129 1.00 0.00 H new ATOM 993 N ALA A 75 9.359 0.349 2.295 1.00 0.00 N ATOM 994 CA ALA A 75 8.365 1.114 1.552 1.00 0.00 C ATOM 995 C ALA A 75 8.180 2.500 2.155 1.00 0.00 C ATOM 996 O ALA A 75 8.175 3.504 1.444 1.00 0.00 O ATOM 997 CB ALA A 75 7.040 0.367 1.523 1.00 0.00 C ATOM 0 H ALA A 75 8.996 -0.494 2.741 1.00 0.00 H new ATOM 0 HA ALA A 75 8.723 1.236 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.306 0.949 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.178 -0.601 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.685 0.217 2.542 1.00 0.00 H new ATOM 1003 N VAL A 76 8.031 2.549 3.474 1.00 0.00 N ATOM 1004 CA VAL A 76 7.850 3.813 4.173 1.00 0.00 C ATOM 1005 C VAL A 76 9.127 4.646 4.136 1.00 0.00 C ATOM 1006 O VAL A 76 9.076 5.873 4.047 1.00 0.00 O ATOM 1007 CB VAL A 76 7.438 3.589 5.640 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.102 4.914 6.310 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.263 2.626 5.726 1.00 0.00 C ATOM 0 H VAL A 76 8.032 1.728 4.079 1.00 0.00 H new ATOM 0 HA VAL A 76 7.053 4.350 3.659 1.00 0.00 H new ATOM 0 HB VAL A 76 8.281 3.144 6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.813 4.735 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.975 5.566 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.277 5.391 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.987 2.481 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.414 3.038 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.545 1.668 5.289 1.00 0.00 H new ATOM 1019 N ASN A 77 10.268 3.973 4.207 1.00 0.00 N ATOM 1020 CA ASN A 77 11.559 4.652 4.186 1.00 0.00 C ATOM 1021 C ASN A 77 11.756 5.419 2.882 1.00 0.00 C ATOM 1022 O ASN A 77 11.953 6.632 2.894 1.00 0.00 O ATOM 1023 CB ASN A 77 12.694 3.644 4.375 1.00 0.00 C ATOM 1024 CG ASN A 77 13.944 4.283 4.949 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.941 5.456 5.319 1.00 0.00 O ATOM 1026 ND2 ASN A 77 15.020 3.510 5.023 1.00 0.00 N ATOM 0 H ASN A 77 10.327 2.957 4.280 1.00 0.00 H new ATOM 0 HA ASN A 77 11.575 5.366 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.360 2.845 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.932 3.184 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.891 3.884 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.976 2.542 4.704 1.00 0.00 H new ATOM 1033 N VAL A 78 11.704 4.708 1.759 1.00 0.00 N ATOM 1034 CA VAL A 78 11.882 5.335 0.454 1.00 0.00 C ATOM 1035 C VAL A 78 10.856 6.445 0.237 1.00 0.00 C ATOM 1036 O VAL A 78 11.194 7.531 -0.237 1.00 0.00 O ATOM 1037 CB VAL A 78 11.781 4.311 -0.692 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.871 3.258 -0.561 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.408 3.660 -0.718 1.00 0.00 C ATOM 0 H VAL A 78 11.541 3.702 1.727 1.00 0.00 H new ATOM 0 HA VAL A 78 12.884 5.764 0.444 1.00 0.00 H new ATOM 0 HB VAL A 78 11.922 4.839 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.785 2.542 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.848 3.739 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.761 2.737 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.362 2.941 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.231 3.147 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.645 4.425 -0.864 1.00 0.00 H new ATOM 1049 N LEU A 79 9.605 6.172 0.600 1.00 0.00 N ATOM 1050 CA LEU A 79 8.540 7.157 0.452 1.00 0.00 C ATOM 1051 C LEU A 79 8.842 8.391 1.298 1.00 0.00 C ATOM 1052 O LEU A 79 8.516 9.515 0.917 1.00 0.00 O ATOM 1053 CB LEU A 79 7.192 6.559 0.867 1.00 0.00 C ATOM 1054 CG LEU A 79 6.366 5.951 -0.272 1.00 0.00 C ATOM 1055 CD1 LEU A 79 6.238 6.931 -1.427 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.987 4.645 -0.741 1.00 0.00 C ATOM 0 H LEU A 79 9.306 5.281 0.997 1.00 0.00 H new ATOM 0 HA LEU A 79 8.485 7.448 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.371 5.787 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.600 7.338 1.347 1.00 0.00 H new ATOM 0 HG LEU A 79 5.365 5.740 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.648 6.479 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.744 7.839 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.230 7.179 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.388 4.227 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.000 4.831 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.019 3.939 0.089 1.00 0.00 H new ATOM 1068 N LYS A 80 9.474 8.165 2.446 1.00 0.00 N ATOM 1069 CA LYS A 80 9.831 9.246 3.354 1.00 0.00 C ATOM 1070 C LYS A 80 11.137 9.909 2.924 1.00 0.00 C ATOM 1071 O LYS A 80 11.366 11.087 3.198 1.00 0.00 O ATOM 1072 CB LYS A 80 9.969 8.709 4.782 1.00 0.00 C ATOM 1073 CG LYS A 80 8.707 8.856 5.618 1.00 0.00 C ATOM 1074 CD LYS A 80 7.490 8.278 4.910 1.00 0.00 C ATOM 1075 CE LYS A 80 6.197 8.713 5.578 1.00 0.00 C ATOM 1076 NZ LYS A 80 6.178 10.176 5.854 1.00 0.00 N ATOM 0 H LYS A 80 9.750 7.238 2.769 1.00 0.00 H new ATOM 0 HA LYS A 80 9.037 9.992 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.244 7.655 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.786 9.232 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.844 8.352 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.535 9.910 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.488 8.598 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.552 7.190 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.353 8.453 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.069 8.166 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.198 10.523 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.574 10.356 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.748 10.672 5.139 1.00 0.00 H new ATOM 1090 N SER A 81 11.992 9.143 2.255 1.00 0.00 N ATOM 1091 CA SER A 81 13.280 9.650 1.793 1.00 0.00 C ATOM 1092 C SER A 81 13.099 10.747 0.750 1.00 0.00 C ATOM 1093 O SER A 81 13.478 11.897 0.974 1.00 0.00 O ATOM 1094 CB SER A 81 14.120 8.511 1.211 1.00 0.00 C ATOM 1095 OG SER A 81 15.477 8.630 1.600 1.00 0.00 O ATOM 0 H SER A 81 11.816 8.166 2.020 1.00 0.00 H new ATOM 0 HA SER A 81 13.799 10.077 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.724 7.553 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.048 8.520 0.123 1.00 0.00 H new ATOM 0 HG SER A 81 15.993 7.890 1.217 1.00 0.00 H new ATOM 1101 N SER A 82 12.525 10.386 -0.394 1.00 0.00 N ATOM 1102 CA SER A 82 12.304 11.347 -1.468 1.00 0.00 C ATOM 1103 C SER A 82 10.913 11.963 -1.376 1.00 0.00 C ATOM 1104 O SER A 82 9.939 11.277 -1.067 1.00 0.00 O ATOM 1105 CB SER A 82 12.486 10.674 -2.830 1.00 0.00 C ATOM 1106 OG SER A 82 12.289 11.598 -3.887 1.00 0.00 O ATOM 0 H SER A 82 12.206 9.439 -0.600 1.00 0.00 H new ATOM 0 HA SER A 82 13.040 12.144 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.487 10.248 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.781 9.849 -2.928 1.00 0.00 H new ATOM 0 HG SER A 82 12.413 11.143 -4.746 1.00 0.00 H new ATOM 1112 N ARG A 83 10.827 13.260 -1.650 1.00 0.00 N ATOM 1113 CA ARG A 83 9.554 13.969 -1.602 1.00 0.00 C ATOM 1114 C ARG A 83 8.743 13.700 -2.865 1.00 0.00 C ATOM 1115 O ARG A 83 7.536 13.470 -2.804 1.00 0.00 O ATOM 1116 CB ARG A 83 9.790 15.472 -1.436 1.00 0.00 C ATOM 1117 CG ARG A 83 9.025 16.084 -0.272 1.00 0.00 C ATOM 1118 CD ARG A 83 9.365 17.554 -0.089 1.00 0.00 C ATOM 1119 NE ARG A 83 10.808 17.791 -0.091 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.523 18.028 -1.190 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.938 18.051 -2.383 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.829 18.238 -1.097 1.00 0.00 N ATOM 0 H ARG A 83 11.624 13.842 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 83 8.989 13.605 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.856 15.650 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.502 15.980 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.954 15.976 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.258 15.540 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.902 18.134 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.941 17.909 0.850 1.00 0.00 H new ATOM 0 HE ARG A 83 11.297 17.774 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.934 17.887 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.493 18.233 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.285 18.218 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.377 18.420 -1.938 1.00 0.00 H new ATOM 1136 N SER A 84 9.418 13.726 -4.009 1.00 0.00 N ATOM 1137 CA SER A 84 8.765 13.479 -5.290 1.00 0.00 C ATOM 1138 C SER A 84 9.106 12.086 -5.807 1.00 0.00 C ATOM 1139 O SER A 84 10.110 11.897 -6.494 1.00 0.00 O ATOM 1140 CB SER A 84 9.188 14.535 -6.313 1.00 0.00 C ATOM 1141 OG SER A 84 8.355 14.497 -7.459 1.00 0.00 O ATOM 0 H SER A 84 10.418 13.916 -4.076 1.00 0.00 H new ATOM 0 HA SER A 84 7.687 13.541 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.142 15.525 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.224 14.367 -6.607 1.00 0.00 H new ATOM 0 HG SER A 84 7.599 15.109 -7.335 1.00 0.00 H new ATOM 1147 N LEU A 85 8.264 11.113 -5.472 1.00 0.00 N ATOM 1148 CA LEU A 85 8.480 9.735 -5.903 1.00 0.00 C ATOM 1149 C LEU A 85 7.299 9.225 -6.721 1.00 0.00 C ATOM 1150 O LEU A 85 6.150 9.585 -6.465 1.00 0.00 O ATOM 1151 CB LEU A 85 8.701 8.816 -4.697 1.00 0.00 C ATOM 1152 CG LEU A 85 9.180 9.503 -3.416 1.00 0.00 C ATOM 1153 CD1 LEU A 85 8.035 10.254 -2.754 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.775 8.482 -2.460 1.00 0.00 C ATOM 0 H LEU A 85 7.428 11.252 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 85 9.372 9.724 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.766 8.299 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.430 8.054 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 85 9.955 10.223 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.394 10.736 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.652 11.010 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.238 9.554 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.111 8.985 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.019 7.740 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.622 7.988 -2.936 1.00 0.00 H new ATOM 1166 N THR A 86 7.591 8.373 -7.698 1.00 0.00 N ATOM 1167 CA THR A 86 6.554 7.798 -8.545 1.00 0.00 C ATOM 1168 C THR A 86 6.243 6.373 -8.103 1.00 0.00 C ATOM 1169 O THR A 86 7.107 5.497 -8.148 1.00 0.00 O ATOM 1170 CB THR A 86 6.993 7.807 -10.011 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.575 9.052 -10.353 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.856 7.551 -10.976 1.00 0.00 C ATOM 0 H THR A 86 8.537 8.066 -7.922 1.00 0.00 H new ATOM 0 HA THR A 86 5.653 8.404 -8.447 1.00 0.00 H new ATOM 0 HB THR A 86 7.716 6.996 -10.102 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.064 9.463 -11.082 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.235 7.571 -11.998 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.417 6.575 -10.770 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.096 8.323 -10.856 1.00 0.00 H new ATOM 1180 N ILE A 87 5.010 6.149 -7.663 1.00 0.00 N ATOM 1181 CA ILE A 87 4.597 4.832 -7.199 1.00 0.00 C ATOM 1182 C ILE A 87 3.671 4.149 -8.200 1.00 0.00 C ATOM 1183 O ILE A 87 2.642 4.703 -8.591 1.00 0.00 O ATOM 1184 CB ILE A 87 3.888 4.920 -5.832 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.590 5.724 -5.954 1.00 0.00 C ATOM 1186 CG2 ILE A 87 4.815 5.543 -4.795 1.00 0.00 C ATOM 1187 CD1 ILE A 87 1.936 6.041 -4.624 1.00 0.00 C ATOM 0 H ILE A 87 4.281 6.861 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 87 5.504 4.237 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 87 3.634 3.912 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.800 6.658 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.885 5.166 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.302 5.599 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.710 4.930 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.097 6.546 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.023 6.612 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.692 5.112 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.622 6.627 -4.012 1.00 0.00 H new ATOM 1199 N SER A 88 4.039 2.936 -8.602 1.00 0.00 N ATOM 1200 CA SER A 88 3.236 2.168 -9.545 1.00 0.00 C ATOM 1201 C SER A 88 2.343 1.187 -8.796 1.00 0.00 C ATOM 1202 O SER A 88 2.808 0.156 -8.310 1.00 0.00 O ATOM 1203 CB SER A 88 4.139 1.412 -10.525 1.00 0.00 C ATOM 1204 OG SER A 88 5.089 2.281 -11.115 1.00 0.00 O ATOM 0 H SER A 88 4.888 2.465 -8.289 1.00 0.00 H new ATOM 0 HA SER A 88 2.609 2.858 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.654 0.606 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.531 0.950 -11.303 1.00 0.00 H new ATOM 0 HG SER A 88 5.655 1.775 -11.735 1.00 0.00 H new ATOM 1210 N ILE A 89 1.063 1.521 -8.693 1.00 0.00 N ATOM 1211 CA ILE A 89 0.107 0.677 -7.989 1.00 0.00 C ATOM 1212 C ILE A 89 -0.860 0.008 -8.958 1.00 0.00 C ATOM 1213 O ILE A 89 -1.211 0.575 -9.989 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.690 1.495 -6.952 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.690 0.602 -6.207 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.397 2.664 -7.626 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.028 0.449 -6.903 1.00 0.00 C ATOM 0 H ILE A 89 0.663 2.372 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 89 0.677 -0.096 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 89 0.009 1.897 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.248 -0.385 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.856 1.014 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.955 3.231 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.659 3.313 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.084 2.286 -8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.675 -0.197 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.495 1.428 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.877 0.006 -7.888 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.293 -1.199 -8.616 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.226 -1.939 -9.453 1.00 0.00 C ATOM 1231 C VAL A 90 -3.503 -2.260 -8.684 1.00 0.00 C ATOM 1232 O VAL A 90 -3.479 -3.004 -7.702 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.604 -3.248 -9.973 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.527 -3.919 -10.978 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.237 -2.983 -10.587 1.00 0.00 C ATOM 0 H VAL A 90 -1.012 -1.685 -7.765 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.465 -1.304 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.473 -3.925 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.069 -4.842 -11.333 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.480 -4.147 -10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.695 -3.249 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.187 -3.920 -10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.341 -2.286 -11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.423 -2.553 -9.834 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.613 -1.686 -9.131 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.902 -1.897 -8.483 1.00 0.00 C ATOM 1247 C ALA A 91 -6.242 -3.381 -8.385 1.00 0.00 C ATOM 1248 O ALA A 91 -6.033 -4.140 -9.331 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.995 -1.155 -9.234 1.00 0.00 C ATOM 0 H ALA A 91 -4.647 -1.069 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.835 -1.503 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.953 -1.321 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.771 -0.088 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.047 -1.523 -10.259 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.774 -3.782 -7.228 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.161 -5.172 -6.981 1.00 0.00 C ATOM 1257 C ALA A 92 -5.978 -6.026 -6.524 1.00 0.00 C ATOM 1258 O ALA A 92 -6.167 -7.110 -5.972 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.809 -5.783 -8.216 1.00 0.00 C ATOM 0 H ALA A 92 -6.948 -3.157 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.890 -5.160 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.088 -6.816 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.700 -5.213 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.104 -5.758 -9.047 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.758 -5.540 -6.750 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.561 -6.272 -6.352 1.00 0.00 C ATOM 1267 C ALA A 93 -3.576 -6.585 -4.856 1.00 0.00 C ATOM 1268 O ALA A 93 -2.896 -7.504 -4.397 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.318 -5.475 -6.716 1.00 0.00 C ATOM 0 H ALA A 93 -4.575 -4.646 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.546 -7.220 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.429 -6.029 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.295 -5.309 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.338 -4.514 -6.201 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.352 -5.811 -4.102 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.443 -6.011 -2.666 1.00 0.00 C ATOM 1277 C GLY A 94 -5.834 -6.426 -2.224 1.00 0.00 C ATOM 1278 O GLY A 94 -5.991 -7.145 -1.238 1.00 0.00 O ATOM 0 H GLY A 94 -4.922 -5.045 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.726 -6.774 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.163 -5.090 -2.156 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.844 -5.958 -2.949 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.234 -6.265 -2.621 1.00 0.00 C ATOM 1284 C ARG A 95 -8.475 -7.771 -2.585 1.00 0.00 C ATOM 1285 O ARG A 95 -9.272 -8.257 -1.783 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.171 -5.618 -3.644 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.032 -4.106 -3.730 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.633 -3.561 -5.018 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.743 -2.646 -4.758 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.976 -3.045 -4.455 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.264 -4.339 -4.376 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.926 -2.147 -4.232 1.00 0.00 N ATOM 0 H ARG A 95 -6.727 -5.363 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.441 -5.861 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.975 -6.048 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.201 -5.865 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.525 -3.645 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.978 -3.833 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.861 -3.043 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.982 -4.389 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.562 -1.644 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.538 -5.034 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.211 -4.637 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.711 -1.152 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.871 -2.452 -4.000 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.789 -8.504 -3.453 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.939 -9.955 -3.508 1.00 0.00 C ATOM 1308 C GLU A 96 -7.756 -10.575 -2.125 1.00 0.00 C ATOM 1309 O GLU A 96 -8.581 -11.370 -1.675 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.929 -10.558 -4.487 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.434 -11.809 -5.191 1.00 0.00 C ATOM 1312 CD GLU A 96 -8.377 -11.493 -6.336 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -8.126 -10.500 -7.053 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -9.363 -12.237 -6.516 1.00 0.00 O ATOM 0 H GLU A 96 -7.126 -8.121 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.948 -10.177 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.670 -9.809 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.013 -10.800 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.584 -12.376 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.945 -12.446 -4.469 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.670 -10.201 -1.456 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.377 -10.713 -0.122 1.00 0.00 C ATOM 1323 C LEU A 97 -7.337 -10.129 0.911 1.00 0.00 C ATOM 1324 O LEU A 97 -7.789 -10.828 1.819 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.934 -10.390 0.264 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.888 -10.729 -0.799 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.580 -10.009 -0.509 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.671 -12.234 -0.876 1.00 0.00 C ATOM 0 H LEU A 97 -5.978 -9.544 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.508 -11.795 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.865 -9.327 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.689 -10.930 1.178 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.257 -10.389 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.848 -10.262 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.749 -8.932 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.204 -10.316 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.923 -12.455 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.325 -12.602 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.609 -12.724 -1.135 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.639 -8.842 0.769 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.541 -8.158 1.692 1.00 0.00 C ATOM 1342 C PHE A 98 -9.872 -8.894 1.810 1.00 0.00 C ATOM 1343 O PHE A 98 -10.454 -8.971 2.892 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.777 -6.717 1.229 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.975 -5.705 1.996 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.399 -5.262 3.239 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.796 -5.197 1.475 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.663 -4.332 3.946 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.055 -4.267 2.178 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.490 -3.834 3.415 1.00 0.00 C ATOM 0 H PHE A 98 -7.272 -8.251 0.023 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.071 -8.146 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.530 -6.638 0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.836 -6.480 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.316 -5.649 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.452 -5.532 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.005 -3.995 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.137 -3.879 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.913 -3.106 3.967 1.00 0.00 H new ATOM 1360 N MET A 99 -10.349 -9.432 0.692 1.00 0.00 N ATOM 1361 CA MET A 99 -11.611 -10.161 0.676 1.00 0.00 C ATOM 1362 C MET A 99 -11.371 -11.663 0.565 1.00 0.00 C ATOM 1363 O MET A 99 -11.360 -12.222 -0.532 1.00 0.00 O ATOM 1364 CB MET A 99 -12.485 -9.687 -0.487 1.00 0.00 C ATOM 1365 CG MET A 99 -11.729 -9.541 -1.797 1.00 0.00 C ATOM 1366 SD MET A 99 -12.681 -10.113 -3.218 1.00 0.00 S ATOM 1367 CE MET A 99 -14.113 -9.042 -3.118 1.00 0.00 C ATOM 0 H MET A 99 -9.881 -9.377 -0.213 1.00 0.00 H new ATOM 0 HA MET A 99 -12.127 -9.961 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.304 -10.393 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.932 -8.728 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.461 -8.495 -1.942 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.797 -10.104 -1.739 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.710 -9.147 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.715 -9.319 -2.252 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.787 -8.007 -3.017 1.00 0.00 H new ATOM 1377 N THR A 100 -11.181 -12.312 1.711 1.00 0.00 N ATOM 1378 CA THR A 100 -10.941 -13.750 1.743 1.00 0.00 C ATOM 1379 C THR A 100 -12.187 -14.518 1.317 1.00 0.00 C ATOM 1380 O THR A 100 -13.294 -13.977 1.319 1.00 0.00 O ATOM 1381 CB THR A 100 -10.513 -14.185 3.144 1.00 0.00 C ATOM 1382 OG1 THR A 100 -10.339 -15.591 3.204 1.00 0.00 O ATOM 1383 CG2 THR A 100 -11.506 -13.800 4.220 1.00 0.00 C ATOM 0 H THR A 100 -11.189 -11.865 2.628 1.00 0.00 H new ATOM 0 HA THR A 100 -10.139 -13.976 1.040 1.00 0.00 H new ATOM 0 HB THR A 100 -9.575 -13.663 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.063 -15.848 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.141 -14.138 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.625 -12.717 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.468 -14.267 4.011 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -3.133 -14.276 11.913 1.00 0.00 N ATOM 1393 CA THR B 111 -2.568 -13.081 12.528 1.00 0.00 C ATOM 1394 C THR B 111 -2.867 -11.843 11.685 1.00 0.00 C ATOM 1395 O THR B 111 -3.075 -11.941 10.476 1.00 0.00 O ATOM 1396 CB THR B 111 -1.056 -13.240 12.712 1.00 0.00 C ATOM 1397 OG1 THR B 111 -0.581 -14.375 12.011 1.00 0.00 O ATOM 1398 CG2 THR B 111 -0.643 -13.388 14.160 1.00 0.00 C ATOM 0 HA THR B 111 -3.031 -12.952 13.506 1.00 0.00 H new ATOM 0 HB THR B 111 -0.619 -12.323 12.318 1.00 0.00 H new ATOM 0 HG1 THR B 111 -1.328 -14.811 11.550 1.00 0.00 H new ATOM 0 HG21 THR B 111 0.440 -13.497 14.220 1.00 0.00 H new ATOM 0 HG22 THR B 111 -0.951 -12.504 14.718 1.00 0.00 H new ATOM 0 HG23 THR B 111 -1.120 -14.270 14.586 1.00 0.00 H new ATOM 1406 N PRO B 112 -2.892 -10.656 12.316 1.00 0.00 N ATOM 1407 CA PRO B 112 -3.166 -9.398 11.617 1.00 0.00 C ATOM 1408 C PRO B 112 -2.016 -8.980 10.706 1.00 0.00 C ATOM 1409 O PRO B 112 -1.079 -9.746 10.481 1.00 0.00 O ATOM 1410 CB PRO B 112 -3.338 -8.390 12.755 1.00 0.00 C ATOM 1411 CG PRO B 112 -2.546 -8.954 13.882 1.00 0.00 C ATOM 1412 CD PRO B 112 -2.654 -10.449 13.757 1.00 0.00 C ATOM 0 HA PRO B 112 -4.035 -9.476 10.963 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -2.973 -7.404 12.469 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -4.387 -8.275 13.027 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -1.506 -8.632 13.828 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -2.935 -8.613 14.841 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -1.743 -10.947 14.089 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -3.471 -10.845 14.360 1.00 0.00 H new ATOM 1420 N LEU B 113 -2.096 -7.761 10.182 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.062 -7.240 9.295 1.00 0.00 C ATOM 1422 C LEU B 113 -0.596 -5.862 9.751 1.00 0.00 C ATOM 1423 O LEU B 113 -1.374 -5.084 10.303 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.585 -7.166 7.860 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.305 -8.423 7.366 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -3.316 -8.070 6.288 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -1.301 -9.442 6.846 1.00 0.00 C ATOM 0 H LEU B 113 -2.866 -7.115 10.356 1.00 0.00 H new ATOM 0 HA LEU B 113 -0.211 -7.920 9.331 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.268 -6.320 7.782 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.747 -6.961 7.194 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.841 -8.866 8.206 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.818 -8.976 5.949 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -4.053 -7.377 6.693 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.803 -7.603 5.447 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.830 -10.330 6.499 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.738 -9.009 6.019 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.615 -9.718 7.647 1.00 0.00 H new ATOM 1439 N GLU B 114 0.678 -5.565 9.515 1.00 0.00 N ATOM 1440 CA GLU B 114 1.247 -4.281 9.902 1.00 0.00 C ATOM 1441 C GLU B 114 0.569 -3.138 9.153 1.00 0.00 C ATOM 1442 O GLU B 114 0.028 -3.330 8.065 1.00 0.00 O ATOM 1443 CB GLU B 114 2.751 -4.262 9.627 1.00 0.00 C ATOM 1444 CG GLU B 114 3.541 -5.219 10.505 1.00 0.00 C ATOM 1445 CD GLU B 114 4.914 -4.682 10.864 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.038 -3.456 11.064 1.00 0.00 O ATOM 1447 OE2 GLU B 114 5.864 -5.489 10.944 1.00 0.00 O ATOM 0 H GLU B 114 1.335 -6.197 9.058 1.00 0.00 H new ATOM 0 HA GLU B 114 1.078 -4.144 10.970 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.924 -4.515 8.581 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.127 -3.250 9.777 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.981 -5.414 11.419 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.651 -6.173 9.989 1.00 0.00 H new ATOM 1454 N ILE B 115 0.600 -1.949 9.745 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.012 -0.775 9.134 1.00 0.00 C ATOM 1456 C ILE B 115 0.795 0.485 9.434 1.00 0.00 C ATOM 1457 O ILE B 115 1.100 0.778 10.590 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.457 -0.575 9.626 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.238 -1.888 9.534 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.146 0.516 8.821 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.638 -1.801 10.104 1.00 0.00 C ATOM 0 H ILE B 115 1.042 -1.773 10.647 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.023 -0.948 8.058 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.429 -0.264 10.670 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.298 -2.193 8.489 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.687 -2.667 10.062 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.167 0.645 9.182 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.600 1.452 8.935 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.166 0.234 7.768 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.132 -2.768 10.005 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.585 -1.527 11.158 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.206 -1.046 9.560 1.00 0.00 H new ATOM 1473 N THR B 116 1.138 1.225 8.386 1.00 0.00 N ATOM 1474 CA THR B 116 1.909 2.454 8.535 1.00 0.00 C ATOM 1475 C THR B 116 1.235 3.611 7.807 1.00 0.00 C ATOM 1476 O THR B 116 0.976 3.535 6.605 1.00 0.00 O ATOM 1477 CB THR B 116 3.329 2.258 8.001 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.966 1.176 8.656 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.206 3.479 8.172 1.00 0.00 C ATOM 0 H THR B 116 0.894 0.995 7.423 1.00 0.00 H new ATOM 0 HA THR B 116 1.958 2.696 9.597 1.00 0.00 H new ATOM 0 HB THR B 116 3.212 2.061 6.935 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.769 0.343 8.179 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.199 3.273 7.773 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.767 4.320 7.636 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.285 3.725 9.231 1.00 0.00 H new ATOM 1487 N GLU B 117 0.952 4.682 8.542 1.00 0.00 N ATOM 1488 CA GLU B 117 0.306 5.856 7.965 1.00 0.00 C ATOM 1489 C GLU B 117 1.340 6.824 7.402 1.00 0.00 C ATOM 1490 O GLU B 117 2.221 7.295 8.122 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.552 6.561 9.018 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.609 5.664 9.641 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.086 4.893 10.838 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.485 5.522 11.734 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -1.277 3.659 10.878 1.00 0.00 O ATOM 0 H GLU B 117 1.160 4.761 9.537 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.335 5.523 7.148 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.097 6.945 9.805 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -1.041 7.421 8.560 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.461 6.271 9.948 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.972 4.961 8.891 1.00 0.00 H new ATOM 1502 N LEU B 118 1.224 7.119 6.112 1.00 0.00 N ATOM 1503 CA LEU B 118 2.148 8.032 5.449 1.00 0.00 C ATOM 1504 C LEU B 118 1.494 9.390 5.213 1.00 0.00 C ATOM 1505 O LEU B 118 2.215 10.410 5.270 1.00 0.00 O ATOM 1506 CB LEU B 118 2.613 7.440 4.118 1.00 0.00 C ATOM 1507 CG LEU B 118 3.031 5.971 4.174 1.00 0.00 C ATOM 1508 CD1 LEU B 118 3.531 5.504 2.815 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.102 5.764 5.236 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.269 9.425 4.977 1.00 0.00 O ATOM 0 H LEU B 118 0.499 6.739 5.504 1.00 0.00 H new ATOM 0 HA LEU B 118 3.012 8.172 6.099 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.809 7.546 3.390 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.454 8.028 3.751 1.00 0.00 H new ATOM 0 HG LEU B 118 2.158 5.375 4.441 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.824 4.456 2.876 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.737 5.617 2.077 1.00 0.00 H new ATOM 0 HD13 LEU B 118 4.391 6.104 2.518 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.389 4.713 5.263 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.974 6.372 4.996 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.711 6.059 6.210 1.00 0.00 H new TER 1522 LEU B 118