USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 674 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 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl -117:sc= -0.947 (180deg=-1.79) USER MOD Set 2.1: A 86 MET CE :methyl -163:sc= -5.74! (180deg=-6.36!) USER MOD Set 2.2: A 90 TYR OH : rot -2:sc= 0.198 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.541 K(o=-1.5,f=-7.2!) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -2.45! C(o=-1.5!,f=-7.2!) USER MOD Set 3.3: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 89 ASN : amide:sc= 1.54 K(o=-1.5,f=-4.8) USER MOD Set 4.1: A 65 ASN : amide:sc= -0.868 X(o=-0.87,f=-1.1) USER MOD Set 4.2: A 71 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0779 (180deg=-0.492) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -79:sc= 0.183 USER MOD Single : A 25 ASN : amide:sc= 0.742 K(o=0.74,f=-7.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.346 X(o=-0.35,f=0.05) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0409 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.93! C(o=-3.1!,f=-1.9!) USER MOD Single : A 38 ASN : amide:sc= 0.0095 X(o=0.0095,f=-0.032) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.705 K(o=0.71,f=-4.1!) USER MOD Single : A 45 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.0961 (180deg=-0.474) USER MOD Single : A 62 THR OG1 : rot 34:sc= 0.066 USER MOD Single : A 73 SER OG : rot -137:sc= 0.338 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 84 SER OG : rot -90:sc= -1.82 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.9) USER MOD Single : A 95 SER OG : rot 20:sc= -0.119 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 160:sc= -0.0341 USER MOD Single : A 106 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.01) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 10:sc= 0.635 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.087 0.178 -0.530 1.00 0.00 N ATOM 2 CA MET A 1 15.212 -0.896 -0.017 1.00 0.00 C ATOM 3 C MET A 1 14.014 -1.111 -0.929 1.00 0.00 C ATOM 4 O MET A 1 13.129 -0.265 -1.020 1.00 0.00 O ATOM 5 CB MET A 1 14.723 -0.555 1.395 1.00 0.00 C ATOM 6 CG MET A 1 13.748 -1.574 1.970 1.00 0.00 C ATOM 7 SD MET A 1 14.499 -3.194 2.234 1.00 0.00 S ATOM 8 CE MET A 1 15.663 -2.806 3.536 1.00 0.00 C ATOM 0 H1 MET A 1 16.896 0.303 0.112 1.00 0.00 H new ATOM 0 H2 MET A 1 16.433 -0.078 -1.477 1.00 0.00 H new ATOM 0 H3 MET A 1 15.549 1.066 -0.586 1.00 0.00 H new ATOM 0 HA MET A 1 15.797 -1.815 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.584 -0.475 2.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.243 0.423 1.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.358 -1.201 2.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.899 -1.678 1.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.960 -3.724 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.543 -2.327 3.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.196 -2.130 4.252 1.00 0.00 H new ATOM 18 N GLN A 2 13.994 -2.244 -1.612 1.00 0.00 N ATOM 19 CA GLN A 2 12.894 -2.586 -2.494 1.00 0.00 C ATOM 20 C GLN A 2 12.266 -3.886 -2.023 1.00 0.00 C ATOM 21 O GLN A 2 12.800 -4.973 -2.243 1.00 0.00 O ATOM 22 CB GLN A 2 13.355 -2.709 -3.943 1.00 0.00 C ATOM 23 CG GLN A 2 13.997 -1.443 -4.485 1.00 0.00 C ATOM 24 CD GLN A 2 14.323 -1.526 -5.964 1.00 0.00 C ATOM 25 OE1 GLN A 2 13.505 -1.170 -6.814 1.00 0.00 O ATOM 26 NE2 GLN A 2 15.517 -1.997 -6.284 1.00 0.00 N ATOM 0 H GLN A 2 14.733 -2.946 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 2 12.155 -1.785 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.068 -3.530 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.500 -2.969 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.326 -0.601 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.912 -1.240 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.166 -2.281 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.788 -2.076 -7.264 1.00 0.00 H new ATOM 33 N CYS A 3 11.143 -3.750 -1.354 1.00 0.00 N ATOM 34 CA CYS A 3 10.422 -4.887 -0.801 1.00 0.00 C ATOM 35 C CYS A 3 9.675 -5.673 -1.869 1.00 0.00 C ATOM 36 O CYS A 3 9.914 -6.870 -2.036 1.00 0.00 O ATOM 37 CB CYS A 3 9.449 -4.406 0.268 1.00 0.00 C ATOM 38 SG CYS A 3 10.228 -4.053 1.879 1.00 0.00 S ATOM 0 H CYS A 3 10.699 -2.849 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 3 11.157 -5.560 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.951 -3.504 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.677 -5.162 0.408 1.00 0.00 H new ATOM 42 N ASN A 4 8.784 -4.999 -2.590 1.00 0.00 N ATOM 43 CA ASN A 4 7.992 -5.641 -3.637 1.00 0.00 C ATOM 44 C ASN A 4 7.080 -6.713 -3.049 1.00 0.00 C ATOM 45 O ASN A 4 7.304 -7.908 -3.247 1.00 0.00 O ATOM 46 CB ASN A 4 8.899 -6.255 -4.708 1.00 0.00 C ATOM 47 CG ASN A 4 9.490 -5.230 -5.654 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.847 -4.240 -5.992 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.725 -5.453 -6.072 1.00 0.00 N ATOM 0 H ASN A 4 8.591 -4.005 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 4 7.373 -4.874 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.709 -6.798 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.328 -6.983 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.179 -4.789 -6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.224 -6.289 -5.767 1.00 0.00 H new ATOM 55 N PHE A 5 6.049 -6.275 -2.329 1.00 0.00 N ATOM 56 CA PHE A 5 5.091 -7.188 -1.702 1.00 0.00 C ATOM 57 C PHE A 5 4.486 -8.157 -2.730 1.00 0.00 C ATOM 58 O PHE A 5 4.282 -9.336 -2.449 1.00 0.00 O ATOM 59 CB PHE A 5 3.967 -6.400 -1.013 1.00 0.00 C ATOM 60 CG PHE A 5 2.947 -5.813 -1.952 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.269 -4.754 -2.785 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.664 -6.335 -2.006 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.332 -4.226 -3.650 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.723 -5.811 -2.869 1.00 0.00 C ATOM 65 CZ PHE A 5 1.058 -4.755 -3.693 1.00 0.00 C ATOM 0 H PHE A 5 5.854 -5.288 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 5 5.633 -7.770 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.458 -7.059 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.411 -5.593 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.265 -4.337 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.397 -7.162 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.596 -3.399 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.274 -6.226 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.324 -4.344 -4.370 1.00 0.00 H new ATOM 74 N ALA A 6 4.244 -7.642 -3.928 1.00 0.00 N ATOM 75 CA ALA A 6 3.635 -8.405 -5.010 1.00 0.00 C ATOM 76 C ALA A 6 4.550 -9.498 -5.549 1.00 0.00 C ATOM 77 O ALA A 6 4.082 -10.473 -6.135 1.00 0.00 O ATOM 78 CB ALA A 6 3.242 -7.457 -6.125 1.00 0.00 C ATOM 0 H ALA A 6 4.466 -6.678 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 6 2.755 -8.906 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.786 -8.021 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.529 -6.725 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.129 -6.942 -6.494 1.00 0.00 H new ATOM 84 N ASN A 7 5.848 -9.349 -5.339 1.00 0.00 N ATOM 85 CA ASN A 7 6.813 -10.329 -5.831 1.00 0.00 C ATOM 86 C ASN A 7 6.706 -11.640 -5.069 1.00 0.00 C ATOM 87 O ASN A 7 7.213 -12.667 -5.514 1.00 0.00 O ATOM 88 CB ASN A 7 8.241 -9.793 -5.731 1.00 0.00 C ATOM 89 CG ASN A 7 8.555 -8.750 -6.788 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.667 -8.044 -7.269 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.822 -8.633 -7.150 1.00 0.00 N ATOM 0 H ASN A 7 6.260 -8.564 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 7 6.577 -10.514 -6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.392 -9.359 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.942 -10.622 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.091 -7.941 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.530 -9.235 -6.730 1.00 0.00 H new ATOM 97 N SER A 8 6.047 -11.605 -3.921 1.00 0.00 N ATOM 98 CA SER A 8 5.884 -12.801 -3.113 1.00 0.00 C ATOM 99 C SER A 8 4.414 -13.042 -2.773 1.00 0.00 C ATOM 100 O SER A 8 4.091 -13.976 -2.040 1.00 0.00 O ATOM 101 CB SER A 8 6.695 -12.668 -1.827 1.00 0.00 C ATOM 102 OG SER A 8 8.048 -12.359 -2.107 1.00 0.00 O ATOM 0 H SER A 8 5.619 -10.766 -3.530 1.00 0.00 H new ATOM 0 HA SER A 8 6.245 -13.653 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.263 -11.888 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.641 -13.598 -1.261 1.00 0.00 H new ATOM 0 HG SER A 8 8.546 -12.277 -1.267 1.00 0.00 H new ATOM 107 N CYS A 9 3.529 -12.214 -3.320 1.00 0.00 N ATOM 108 CA CYS A 9 2.099 -12.333 -3.045 1.00 0.00 C ATOM 109 C CYS A 9 1.297 -12.622 -4.304 1.00 0.00 C ATOM 110 O CYS A 9 1.542 -12.044 -5.361 1.00 0.00 O ATOM 111 CB CYS A 9 1.565 -11.054 -2.390 1.00 0.00 C ATOM 112 SG CYS A 9 1.255 -11.202 -0.596 1.00 0.00 S ATOM 0 H CYS A 9 3.775 -11.455 -3.955 1.00 0.00 H new ATOM 0 HA CYS A 9 1.980 -13.174 -2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.279 -10.248 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.637 -10.766 -2.885 1.00 0.00 H new ATOM 116 N THR A 10 0.344 -13.532 -4.176 1.00 0.00 N ATOM 117 CA THR A 10 -0.532 -13.899 -5.272 1.00 0.00 C ATOM 118 C THR A 10 -1.984 -13.817 -4.830 1.00 0.00 C ATOM 119 O THR A 10 -2.279 -13.956 -3.640 1.00 0.00 O ATOM 120 CB THR A 10 -0.233 -15.320 -5.787 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.165 -16.245 -4.688 1.00 0.00 O ATOM 122 CG2 THR A 10 1.069 -15.340 -6.566 1.00 0.00 C ATOM 0 H THR A 10 0.158 -14.035 -3.309 1.00 0.00 H new ATOM 0 HA THR A 10 -0.352 -13.196 -6.086 1.00 0.00 H new ATOM 0 HB THR A 10 -1.042 -15.622 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.024 -17.144 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.264 -16.351 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.994 -14.664 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.885 -15.019 -5.919 1.00 0.00 H new ATOM 130 N GLY A 11 -2.876 -13.577 -5.783 1.00 0.00 N ATOM 131 CA GLY A 11 -4.294 -13.482 -5.482 1.00 0.00 C ATOM 132 C GLY A 11 -4.597 -12.409 -4.454 1.00 0.00 C ATOM 133 O GLY A 11 -5.063 -12.706 -3.352 1.00 0.00 O ATOM 0 H GLY A 11 -2.641 -13.445 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.844 -13.268 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.650 -14.444 -5.114 1.00 0.00 H new ATOM 137 N VAL A 12 -4.342 -11.163 -4.819 1.00 0.00 N ATOM 138 CA VAL A 12 -4.567 -10.040 -3.920 1.00 0.00 C ATOM 139 C VAL A 12 -5.873 -9.322 -4.247 1.00 0.00 C ATOM 140 O VAL A 12 -6.300 -9.277 -5.403 1.00 0.00 O ATOM 141 CB VAL A 12 -3.400 -9.030 -3.973 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.104 -9.670 -3.501 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.237 -8.470 -5.374 1.00 0.00 C ATOM 0 H VAL A 12 -3.978 -10.902 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.630 -10.451 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.638 -8.207 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.298 -8.937 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.221 -10.015 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.862 -10.517 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.409 -7.761 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.030 -9.284 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.155 -7.963 -5.672 1.00 0.00 H new ATOM 153 N GLU A 13 -6.520 -8.795 -3.217 1.00 0.00 N ATOM 154 CA GLU A 13 -7.771 -8.064 -3.384 1.00 0.00 C ATOM 155 C GLU A 13 -7.775 -6.824 -2.501 1.00 0.00 C ATOM 156 O GLU A 13 -7.161 -6.821 -1.431 1.00 0.00 O ATOM 157 CB GLU A 13 -8.969 -8.952 -3.035 1.00 0.00 C ATOM 158 CG GLU A 13 -9.057 -10.215 -3.871 1.00 0.00 C ATOM 159 CD GLU A 13 -10.271 -11.049 -3.535 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.270 -11.698 -2.469 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.226 -11.059 -4.334 1.00 0.00 O ATOM 0 H GLU A 13 -6.198 -8.860 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.853 -7.762 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.911 -9.227 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.886 -8.377 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.086 -9.946 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.157 -10.811 -3.718 1.00 0.00 H new ATOM 166 N LEU A 14 -8.456 -5.773 -2.954 1.00 0.00 N ATOM 167 CA LEU A 14 -8.536 -4.530 -2.199 1.00 0.00 C ATOM 168 C LEU A 14 -9.987 -4.168 -1.909 1.00 0.00 C ATOM 169 O LEU A 14 -10.722 -3.733 -2.796 1.00 0.00 O ATOM 170 CB LEU A 14 -7.847 -3.391 -2.964 1.00 0.00 C ATOM 171 CG LEU A 14 -7.923 -1.996 -2.317 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.680 -2.064 -0.815 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.908 -1.077 -2.956 1.00 0.00 C ATOM 0 H LEU A 14 -8.960 -5.760 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.020 -4.675 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.797 -3.652 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.287 -3.332 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.927 -1.605 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.741 -1.062 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.435 -2.700 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.690 -2.479 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.967 -0.092 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.907 -1.485 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.116 -0.990 -4.022 1.00 0.00 H new ATOM 184 N TYR A 15 -10.392 -4.365 -0.666 1.00 0.00 N ATOM 185 CA TYR A 15 -11.745 -4.049 -0.237 1.00 0.00 C ATOM 186 C TYR A 15 -11.719 -3.307 1.091 1.00 0.00 C ATOM 187 O TYR A 15 -11.332 -3.867 2.116 1.00 0.00 O ATOM 188 CB TYR A 15 -12.592 -5.318 -0.117 1.00 0.00 C ATOM 189 CG TYR A 15 -13.017 -5.887 -1.451 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.012 -5.269 -2.197 1.00 0.00 C ATOM 191 CD2 TYR A 15 -12.422 -7.031 -1.970 1.00 0.00 C ATOM 192 CE1 TYR A 15 -14.404 -5.772 -3.420 1.00 0.00 C ATOM 193 CE2 TYR A 15 -12.809 -7.540 -3.195 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.801 -6.907 -3.916 1.00 0.00 C ATOM 195 OH TYR A 15 -14.189 -7.405 -5.139 1.00 0.00 O ATOM 0 H TYR A 15 -9.798 -4.746 0.070 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.198 -3.406 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.025 -6.073 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.480 -5.098 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.487 -4.379 -1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.646 -7.529 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -15.180 -5.278 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.337 -8.429 -3.586 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.667 -8.208 -5.346 1.00 0.00 H new ATOM 204 N GLY A 16 -12.108 -2.041 1.059 1.00 0.00 N ATOM 205 CA GLY A 16 -12.129 -1.237 2.266 1.00 0.00 C ATOM 206 C GLY A 16 -10.743 -0.812 2.696 1.00 0.00 C ATOM 207 O GLY A 16 -10.441 -0.773 3.886 1.00 0.00 O ATOM 0 H GLY A 16 -12.411 -1.554 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.743 -0.352 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.599 -1.804 3.070 1.00 0.00 H new ATOM 211 N TYR A 17 -9.906 -0.488 1.708 1.00 0.00 N ATOM 212 CA TYR A 17 -8.521 -0.054 1.938 1.00 0.00 C ATOM 213 C TYR A 17 -7.699 -1.181 2.561 1.00 0.00 C ATOM 214 O TYR A 17 -6.686 -0.938 3.223 1.00 0.00 O ATOM 215 CB TYR A 17 -8.453 1.195 2.833 1.00 0.00 C ATOM 216 CG TYR A 17 -9.528 2.224 2.552 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.565 2.923 1.351 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.509 2.491 3.497 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.553 3.858 1.105 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.497 3.423 3.256 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.516 4.102 2.061 1.00 0.00 C ATOM 222 OH TYR A 17 -12.503 5.027 1.821 1.00 0.00 O ATOM 0 H TYR A 17 -10.168 -0.518 0.723 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.101 0.204 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.527 0.885 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.477 1.664 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.812 2.733 0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.499 1.960 4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.570 4.395 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.252 3.618 4.003 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.147 5.929 1.960 1.00 0.00 H new ATOM 231 N ILE A 18 -8.139 -2.413 2.340 1.00 0.00 N ATOM 232 CA ILE A 18 -7.460 -3.581 2.874 1.00 0.00 C ATOM 233 C ILE A 18 -6.962 -4.461 1.744 1.00 0.00 C ATOM 234 O ILE A 18 -7.743 -4.904 0.899 1.00 0.00 O ATOM 235 CB ILE A 18 -8.390 -4.413 3.773 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.165 -3.491 4.709 1.00 0.00 C ATOM 237 CG2 ILE A 18 -7.591 -5.442 4.562 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.169 -4.207 5.582 1.00 0.00 C ATOM 0 H ILE A 18 -8.970 -2.628 1.789 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.621 -3.223 3.470 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.101 -4.951 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.458 -2.959 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.686 -2.740 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.266 -6.021 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.076 -6.110 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.858 -4.932 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.679 -3.484 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.900 -4.716 4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.654 -4.938 6.205 1.00 0.00 H new ATOM 249 N LEU A 19 -5.665 -4.699 1.731 1.00 0.00 N ATOM 250 CA LEU A 19 -5.048 -5.525 0.716 1.00 0.00 C ATOM 251 C LEU A 19 -4.755 -6.891 1.292 1.00 0.00 C ATOM 252 O LEU A 19 -3.924 -7.025 2.183 1.00 0.00 O ATOM 253 CB LEU A 19 -3.741 -4.889 0.236 1.00 0.00 C ATOM 254 CG LEU A 19 -3.576 -4.797 -1.277 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.622 -6.174 -1.916 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.649 -3.897 -1.851 1.00 0.00 C ATOM 0 H LEU A 19 -5.013 -4.326 2.421 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.731 -5.616 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.670 -3.885 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.907 -5.462 0.641 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.599 -4.368 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.502 -6.079 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.816 -6.789 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.581 -6.644 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.529 -3.832 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.631 -4.308 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.560 -2.902 -1.416 1.00 0.00 H new ATOM 267 N ARG A 20 -5.426 -7.902 0.796 1.00 0.00 N ATOM 268 CA ARG A 20 -5.194 -9.242 1.281 1.00 0.00 C ATOM 269 C ARG A 20 -4.702 -10.118 0.152 1.00 0.00 C ATOM 270 O ARG A 20 -5.252 -10.090 -0.951 1.00 0.00 O ATOM 271 CB ARG A 20 -6.460 -9.840 1.884 1.00 0.00 C ATOM 272 CG ARG A 20 -6.216 -11.171 2.571 1.00 0.00 C ATOM 273 CD ARG A 20 -7.443 -12.058 2.488 1.00 0.00 C ATOM 274 NE ARG A 20 -8.580 -11.493 3.214 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.806 -11.381 2.703 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.033 -11.711 1.440 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.798 -10.919 3.453 1.00 0.00 N ATOM 0 H ARG A 20 -6.131 -7.825 0.063 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.437 -9.192 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.880 -9.137 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.203 -9.974 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.367 -11.674 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.955 -11.003 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.716 -12.202 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.207 -13.042 2.894 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.426 -11.165 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.269 -12.052 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.972 -11.624 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.623 -10.649 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.736 -10.833 3.062 1.00 0.00 H new ATOM 288 N GLY A 21 -3.671 -10.887 0.430 1.00 0.00 N ATOM 289 CA GLY A 21 -3.112 -11.762 -0.569 1.00 0.00 C ATOM 290 C GLY A 21 -2.345 -12.901 0.048 1.00 0.00 C ATOM 291 O GLY A 21 -2.183 -12.960 1.268 1.00 0.00 O ATOM 0 H GLY A 21 -3.207 -10.922 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.913 -12.159 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.452 -11.192 -1.223 1.00 0.00 H new ATOM 295 N ASP A 22 -1.879 -13.806 -0.788 1.00 0.00 N ATOM 296 CA ASP A 22 -1.122 -14.949 -0.323 1.00 0.00 C ATOM 297 C ASP A 22 0.355 -14.716 -0.547 1.00 0.00 C ATOM 298 O ASP A 22 0.828 -14.758 -1.682 1.00 0.00 O ATOM 299 CB ASP A 22 -1.547 -16.221 -1.055 1.00 0.00 C ATOM 300 CG ASP A 22 -2.987 -16.597 -0.801 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.287 -17.124 0.290 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.828 -16.385 -1.701 1.00 0.00 O ATOM 0 H ASP A 22 -2.013 -13.771 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.319 -15.074 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.397 -16.084 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.903 -17.044 -0.745 1.00 0.00 H new ATOM 306 N CYS A 23 1.084 -14.470 0.526 1.00 0.00 N ATOM 307 CA CYS A 23 2.513 -14.250 0.419 1.00 0.00 C ATOM 308 C CYS A 23 3.253 -15.472 0.933 1.00 0.00 C ATOM 309 O CYS A 23 2.960 -15.976 2.014 1.00 0.00 O ATOM 310 CB CYS A 23 2.936 -13.003 1.206 1.00 0.00 C ATOM 311 SG CYS A 23 3.096 -11.486 0.202 1.00 0.00 S ATOM 0 H CYS A 23 0.713 -14.418 1.475 1.00 0.00 H new ATOM 0 HA CYS A 23 2.765 -14.087 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.207 -12.824 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.891 -13.203 1.692 1.00 0.00 H new ATOM 315 N ILE A 24 4.222 -15.937 0.159 1.00 0.00 N ATOM 316 CA ILE A 24 4.995 -17.116 0.526 1.00 0.00 C ATOM 317 C ILE A 24 5.906 -16.822 1.706 1.00 0.00 C ATOM 318 O ILE A 24 6.561 -15.779 1.754 1.00 0.00 O ATOM 319 CB ILE A 24 5.837 -17.629 -0.662 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.932 -17.909 -1.867 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.607 -18.879 -0.273 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.665 -18.461 -3.071 1.00 0.00 C ATOM 0 H ILE A 24 4.493 -15.515 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 24 4.284 -17.892 0.809 1.00 0.00 H new ATOM 0 HB ILE A 24 6.557 -16.858 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.157 -18.616 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.428 -16.986 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.194 -19.224 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.273 -18.652 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.907 -19.659 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.956 -18.633 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.421 -17.746 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.146 -19.402 -2.804 1.00 0.00 H new ATOM 333 N ASN A 25 5.932 -17.739 2.660 1.00 0.00 N ATOM 334 CA ASN A 25 6.764 -17.580 3.841 1.00 0.00 C ATOM 335 C ASN A 25 7.999 -18.465 3.735 1.00 0.00 C ATOM 336 O ASN A 25 8.203 -19.112 2.708 1.00 0.00 O ATOM 337 CB ASN A 25 5.966 -17.898 5.116 1.00 0.00 C ATOM 338 CG ASN A 25 5.800 -19.380 5.378 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.578 -19.976 6.115 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.793 -19.980 4.771 1.00 0.00 N ATOM 0 H ASN A 25 5.387 -18.601 2.639 1.00 0.00 H new ATOM 0 HA ASN A 25 7.089 -16.541 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.466 -17.441 5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.980 -17.439 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.638 -20.979 4.907 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.170 -19.445 4.166 1.00 0.00 H new ATOM 346 N GLU A 26 8.805 -18.501 4.788 1.00 0.00 N ATOM 347 CA GLU A 26 10.029 -19.303 4.809 1.00 0.00 C ATOM 348 C GLU A 26 9.764 -20.773 4.465 1.00 0.00 C ATOM 349 O GLU A 26 10.610 -21.444 3.873 1.00 0.00 O ATOM 350 CB GLU A 26 10.687 -19.201 6.184 1.00 0.00 C ATOM 351 CG GLU A 26 9.724 -19.449 7.330 1.00 0.00 C ATOM 352 CD GLU A 26 10.426 -19.618 8.656 1.00 0.00 C ATOM 353 OE1 GLU A 26 10.872 -18.608 9.234 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.523 -20.764 9.134 1.00 0.00 O ATOM 0 H GLU A 26 8.634 -17.980 5.648 1.00 0.00 H new ATOM 0 HA GLU A 26 10.697 -18.905 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.504 -19.921 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.127 -18.210 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.024 -18.616 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.136 -20.342 7.118 1.00 0.00 H new ATOM 359 N ASP A 27 8.582 -21.257 4.823 1.00 0.00 N ATOM 360 CA ASP A 27 8.191 -22.640 4.563 1.00 0.00 C ATOM 361 C ASP A 27 8.107 -22.924 3.067 1.00 0.00 C ATOM 362 O ASP A 27 8.299 -24.058 2.627 1.00 0.00 O ATOM 363 CB ASP A 27 6.844 -22.934 5.221 1.00 0.00 C ATOM 364 CG ASP A 27 6.378 -24.357 5.001 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.903 -25.272 5.669 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.474 -24.564 4.167 1.00 0.00 O ATOM 0 H ASP A 27 7.868 -20.706 5.300 1.00 0.00 H new ATOM 0 HA ASP A 27 8.956 -23.290 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.919 -22.743 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.095 -22.247 4.827 1.00 0.00 H new ATOM 370 N GLY A 28 7.827 -21.889 2.288 1.00 0.00 N ATOM 371 CA GLY A 28 7.725 -22.052 0.852 1.00 0.00 C ATOM 372 C GLY A 28 6.288 -22.116 0.387 1.00 0.00 C ATOM 373 O GLY A 28 6.015 -22.251 -0.805 1.00 0.00 O ATOM 0 H GLY A 28 7.669 -20.939 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.229 -21.222 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.243 -22.963 0.553 1.00 0.00 H new ATOM 377 N HIS A 29 5.366 -22.018 1.327 1.00 0.00 N ATOM 378 CA HIS A 29 3.947 -22.060 1.011 1.00 0.00 C ATOM 379 C HIS A 29 3.321 -20.680 1.192 1.00 0.00 C ATOM 380 O HIS A 29 3.729 -19.911 2.066 1.00 0.00 O ATOM 381 CB HIS A 29 3.233 -23.092 1.893 1.00 0.00 C ATOM 382 CG HIS A 29 3.513 -24.516 1.509 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.540 -25.491 1.476 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.664 -25.128 1.144 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.082 -26.638 1.109 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.369 -26.445 0.900 1.00 0.00 N ATOM 0 H HIS A 29 5.574 -21.908 2.320 1.00 0.00 H new ATOM 0 HA HIS A 29 3.833 -22.358 -0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.533 -22.940 2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.158 -22.917 1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.636 -24.664 1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.559 -27.576 0.999 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.036 -27.158 0.605 1.00 0.00 H new ATOM 394 N PRO A 30 2.350 -20.340 0.332 1.00 0.00 N ATOM 395 CA PRO A 30 1.650 -19.052 0.384 1.00 0.00 C ATOM 396 C PRO A 30 0.790 -18.900 1.637 1.00 0.00 C ATOM 397 O PRO A 30 -0.123 -19.690 1.882 1.00 0.00 O ATOM 398 CB PRO A 30 0.770 -19.067 -0.869 1.00 0.00 C ATOM 399 CG PRO A 30 0.607 -20.504 -1.215 1.00 0.00 C ATOM 400 CD PRO A 30 1.869 -21.185 -0.776 1.00 0.00 C ATOM 0 HA PRO A 30 2.350 -18.217 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.194 -18.596 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.238 -18.516 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.261 -20.930 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.448 -20.631 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.680 -22.207 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.598 -21.239 -1.585 1.00 0.00 H new ATOM 405 N HIS A 31 1.085 -17.870 2.411 1.00 0.00 N ATOM 406 CA HIS A 31 0.365 -17.584 3.641 1.00 0.00 C ATOM 407 C HIS A 31 -0.528 -16.364 3.431 1.00 0.00 C ATOM 408 O HIS A 31 -0.067 -15.326 2.954 1.00 0.00 O ATOM 409 CB HIS A 31 1.364 -17.334 4.783 1.00 0.00 C ATOM 410 CG HIS A 31 0.744 -17.236 6.148 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.991 -18.150 7.151 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.093 -16.314 6.685 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.332 -17.798 8.239 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.329 -16.689 7.983 1.00 0.00 N ATOM 0 H HIS A 31 1.832 -17.207 2.204 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.259 -18.436 3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.098 -18.140 4.789 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.906 -16.411 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.498 -15.447 6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.335 -18.329 9.179 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.922 -16.188 8.645 1.00 0.00 H new ATOM 422 N ALA A 32 -1.797 -16.491 3.784 1.00 0.00 N ATOM 423 CA ALA A 32 -2.746 -15.399 3.626 1.00 0.00 C ATOM 424 C ALA A 32 -2.442 -14.270 4.603 1.00 0.00 C ATOM 425 O ALA A 32 -2.469 -14.459 5.818 1.00 0.00 O ATOM 426 CB ALA A 32 -4.165 -15.903 3.813 1.00 0.00 C ATOM 0 H ALA A 32 -2.195 -17.341 4.183 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.649 -15.003 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.864 -15.075 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.379 -16.671 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.272 -16.325 4.812 1.00 0.00 H new ATOM 432 N THR A 33 -2.152 -13.101 4.061 1.00 0.00 N ATOM 433 CA THR A 33 -1.832 -11.932 4.862 1.00 0.00 C ATOM 434 C THR A 33 -2.630 -10.733 4.367 1.00 0.00 C ATOM 435 O THR A 33 -3.104 -10.726 3.230 1.00 0.00 O ATOM 436 CB THR A 33 -0.320 -11.621 4.790 1.00 0.00 C ATOM 437 OG1 THR A 33 0.006 -10.494 5.609 1.00 0.00 O ATOM 438 CG2 THR A 33 0.098 -11.344 3.354 1.00 0.00 C ATOM 0 H THR A 33 -2.132 -12.935 3.055 1.00 0.00 H new ATOM 0 HA THR A 33 -2.095 -12.139 5.899 1.00 0.00 H new ATOM 0 HB THR A 33 0.220 -12.493 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.381 -10.805 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.166 -11.127 3.321 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.113 -12.218 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.458 -10.488 2.972 1.00 0.00 H new ATOM 446 N SER A 34 -2.782 -9.725 5.212 1.00 0.00 N ATOM 447 CA SER A 34 -3.533 -8.543 4.836 1.00 0.00 C ATOM 448 C SER A 34 -2.850 -7.273 5.316 1.00 0.00 C ATOM 449 O SER A 34 -2.184 -7.267 6.352 1.00 0.00 O ATOM 450 CB SER A 34 -4.943 -8.620 5.403 1.00 0.00 C ATOM 451 OG SER A 34 -4.928 -8.723 6.820 1.00 0.00 O ATOM 0 H SER A 34 -2.397 -9.704 6.156 1.00 0.00 H new ATOM 0 HA SER A 34 -3.580 -8.508 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.504 -7.734 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.460 -9.481 4.980 1.00 0.00 H new ATOM 0 HG SER A 34 -5.848 -8.769 7.154 1.00 0.00 H new ATOM 456 N ILE A 35 -3.006 -6.206 4.554 1.00 0.00 N ATOM 457 CA ILE A 35 -2.419 -4.930 4.903 1.00 0.00 C ATOM 458 C ILE A 35 -3.468 -3.834 4.806 1.00 0.00 C ATOM 459 O ILE A 35 -4.306 -3.848 3.909 1.00 0.00 O ATOM 460 CB ILE A 35 -1.237 -4.552 3.975 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.285 -5.732 3.769 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.471 -3.363 4.536 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.562 -6.533 2.511 1.00 0.00 C ATOM 0 H ILE A 35 -3.538 -6.201 3.684 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.044 -5.024 5.922 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.659 -4.280 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.738 -5.358 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.351 -6.395 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.354 -3.114 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.140 -2.506 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.078 -3.615 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.154 -7.351 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.573 -6.938 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.466 -5.886 1.639 1.00 0.00 H new ATOM 474 N ASN A 36 -3.416 -2.882 5.714 1.00 0.00 N ATOM 475 CA ASN A 36 -4.366 -1.782 5.705 1.00 0.00 C ATOM 476 C ASN A 36 -3.696 -0.547 5.117 1.00 0.00 C ATOM 477 O ASN A 36 -3.069 0.235 5.834 1.00 0.00 O ATOM 478 CB ASN A 36 -4.880 -1.500 7.116 1.00 0.00 C ATOM 479 CG ASN A 36 -6.137 -0.659 7.131 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.915 -0.724 6.074 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.410 0.043 8.088 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.729 -2.845 6.467 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.224 -2.052 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.077 -2.446 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.102 -0.991 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.785 0.072 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.263 0.602 8.084 1.00 0.00 H new ATOM 487 N LEU A 37 -3.855 -0.375 3.809 1.00 0.00 N ATOM 488 CA LEU A 37 -3.246 0.736 3.071 1.00 0.00 C ATOM 489 C LEU A 37 -3.675 2.077 3.639 1.00 0.00 C ATOM 490 O LEU A 37 -2.982 3.080 3.476 1.00 0.00 O ATOM 491 CB LEU A 37 -3.633 0.709 1.580 1.00 0.00 C ATOM 492 CG LEU A 37 -3.356 -0.580 0.798 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.006 -1.177 1.162 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.472 -1.588 1.009 1.00 0.00 C ATOM 0 H LEU A 37 -4.410 -1.001 3.226 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.168 0.613 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.699 0.925 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.108 1.524 1.082 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.323 -0.323 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.845 -2.089 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.217 -0.460 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.986 -1.410 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.255 -2.495 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.548 -1.830 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.415 -1.164 0.665 1.00 0.00 H new ATOM 505 N ASN A 38 -4.820 2.082 4.305 1.00 0.00 N ATOM 506 CA ASN A 38 -5.376 3.298 4.879 1.00 0.00 C ATOM 507 C ASN A 38 -4.385 3.997 5.807 1.00 0.00 C ATOM 508 O ASN A 38 -4.386 5.217 5.902 1.00 0.00 O ATOM 509 CB ASN A 38 -6.670 2.980 5.634 1.00 0.00 C ATOM 510 CG ASN A 38 -7.423 4.221 6.077 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.161 4.782 7.140 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.389 4.640 5.272 1.00 0.00 N ATOM 0 H ASN A 38 -5.387 1.249 4.462 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.593 3.980 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.317 2.378 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.433 2.375 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.946 5.456 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.575 4.147 4.399 1.00 0.00 H new ATOM 518 N TYR A 39 -3.520 3.235 6.465 1.00 0.00 N ATOM 519 CA TYR A 39 -2.548 3.828 7.378 1.00 0.00 C ATOM 520 C TYR A 39 -1.136 3.766 6.809 1.00 0.00 C ATOM 521 O TYR A 39 -0.161 3.928 7.546 1.00 0.00 O ATOM 522 CB TYR A 39 -2.573 3.127 8.739 1.00 0.00 C ATOM 523 CG TYR A 39 -3.923 3.147 9.417 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.425 4.309 9.993 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.693 1.999 9.481 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.660 4.318 10.616 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.928 1.998 10.098 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.410 3.158 10.663 1.00 0.00 C ATOM 529 OH TYR A 39 -7.638 3.155 11.289 1.00 0.00 O ATOM 0 H TYR A 39 -3.470 2.219 6.386 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.830 4.873 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.259 2.091 8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.842 3.601 9.394 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.842 5.217 9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.321 1.086 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.036 5.226 11.063 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.514 1.091 10.137 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.033 2.260 11.230 1.00 0.00 H new ATOM 538 N TYR A 40 -1.017 3.523 5.507 1.00 0.00 N ATOM 539 CA TYR A 40 0.299 3.441 4.880 1.00 0.00 C ATOM 540 C TYR A 40 0.426 4.360 3.675 1.00 0.00 C ATOM 541 O TYR A 40 1.527 4.773 3.324 1.00 0.00 O ATOM 542 CB TYR A 40 0.633 1.997 4.499 1.00 0.00 C ATOM 543 CG TYR A 40 0.723 1.084 5.698 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.617 1.354 6.726 1.00 0.00 C ATOM 545 CD2 TYR A 40 -0.101 -0.024 5.818 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.690 0.541 7.838 1.00 0.00 C ATOM 547 CE2 TYR A 40 -0.039 -0.840 6.931 1.00 0.00 C ATOM 548 CZ TYR A 40 0.858 -0.551 7.938 1.00 0.00 C ATOM 549 OH TYR A 40 0.917 -1.352 9.052 1.00 0.00 O ATOM 0 H TYR A 40 -1.803 3.381 4.873 1.00 0.00 H new ATOM 0 HA TYR A 40 1.023 3.783 5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.129 1.620 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.581 1.977 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.266 2.215 6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.802 -0.253 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.396 0.760 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.689 -1.699 7.012 1.00 0.00 H new ATOM 0 HH TYR A 40 0.265 -2.078 8.967 1.00 0.00 H new ATOM 558 N ILE A 41 -0.693 4.685 3.053 1.00 0.00 N ATOM 559 CA ILE A 41 -0.691 5.567 1.897 1.00 0.00 C ATOM 560 C ILE A 41 -1.331 6.896 2.266 1.00 0.00 C ATOM 561 O ILE A 41 -2.311 6.931 3.014 1.00 0.00 O ATOM 562 CB ILE A 41 -1.448 4.951 0.701 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.600 3.898 -0.012 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.881 6.027 -0.283 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.484 2.597 0.740 1.00 0.00 C ATOM 0 H ILE A 41 -1.617 4.351 3.329 1.00 0.00 H new ATOM 0 HA ILE A 41 0.346 5.717 1.598 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.338 4.462 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.031 3.702 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.399 4.301 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.412 5.566 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.539 6.736 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.002 6.551 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.132 1.901 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.024 2.778 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.476 2.169 0.883 1.00 0.00 H new ATOM 576 N GLY A 42 -0.769 7.984 1.762 1.00 0.00 N ATOM 577 CA GLY A 42 -1.311 9.288 2.065 1.00 0.00 C ATOM 578 C GLY A 42 -1.863 10.004 0.855 1.00 0.00 C ATOM 579 O GLY A 42 -1.541 9.669 -0.285 1.00 0.00 O ATOM 0 H GLY A 42 0.048 7.986 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.102 9.181 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.531 9.901 2.517 1.00 0.00 H new ATOM 583 N ASN A 43 -2.689 10.998 1.122 1.00 0.00 N ATOM 584 CA ASN A 43 -3.314 11.798 0.078 1.00 0.00 C ATOM 585 C ASN A 43 -2.571 13.117 -0.071 1.00 0.00 C ATOM 586 O ASN A 43 -2.694 14.007 0.777 1.00 0.00 O ATOM 587 CB ASN A 43 -4.785 12.053 0.425 1.00 0.00 C ATOM 588 CG ASN A 43 -5.442 13.095 -0.465 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.077 13.269 -1.628 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.410 13.805 0.089 1.00 0.00 N ATOM 0 H ASN A 43 -2.948 11.276 2.069 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.267 11.257 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.337 11.117 0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.855 12.376 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.885 14.529 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.682 13.629 1.056 1.00 0.00 H new ATOM 596 N ASP A 44 -1.781 13.238 -1.126 1.00 0.00 N ATOM 597 CA ASP A 44 -1.015 14.450 -1.360 1.00 0.00 C ATOM 598 C ASP A 44 -1.531 15.191 -2.585 1.00 0.00 C ATOM 599 O ASP A 44 -1.326 14.746 -3.713 1.00 0.00 O ATOM 600 CB ASP A 44 0.467 14.119 -1.533 1.00 0.00 C ATOM 601 CG ASP A 44 1.330 15.358 -1.662 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.711 15.929 -0.621 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.640 15.763 -2.800 1.00 0.00 O ATOM 0 H ASP A 44 -1.654 12.513 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.134 15.097 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.806 13.532 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.596 13.497 -2.419 1.00 0.00 H new ATOM 607 N ASN A 45 -2.222 16.306 -2.355 1.00 0.00 N ATOM 608 CA ASN A 45 -2.755 17.137 -3.435 1.00 0.00 C ATOM 609 C ASN A 45 -3.699 16.330 -4.326 1.00 0.00 C ATOM 610 O ASN A 45 -3.722 16.498 -5.545 1.00 0.00 O ATOM 611 CB ASN A 45 -1.594 17.706 -4.261 1.00 0.00 C ATOM 612 CG ASN A 45 -1.958 18.926 -5.081 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.746 19.765 -4.653 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.373 19.036 -6.264 1.00 0.00 N ATOM 0 H ASN A 45 -2.428 16.658 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.325 17.958 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.776 17.964 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.223 16.929 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.571 19.841 -6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.724 18.316 -6.581 1.00 0.00 H new ATOM 620 N GLY A 46 -4.465 15.439 -3.709 1.00 0.00 N ATOM 621 CA GLY A 46 -5.401 14.621 -4.454 1.00 0.00 C ATOM 622 C GLY A 46 -4.718 13.493 -5.195 1.00 0.00 C ATOM 623 O GLY A 46 -5.288 12.906 -6.112 1.00 0.00 O ATOM 0 H GLY A 46 -4.454 15.268 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.142 14.207 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.939 15.247 -5.166 1.00 0.00 H new ATOM 627 N ARG A 47 -3.490 13.195 -4.801 1.00 0.00 N ATOM 628 CA ARG A 47 -2.714 12.140 -5.431 1.00 0.00 C ATOM 629 C ARG A 47 -2.257 11.122 -4.406 1.00 0.00 C ATOM 630 O ARG A 47 -2.123 11.435 -3.220 1.00 0.00 O ATOM 631 CB ARG A 47 -1.497 12.733 -6.134 1.00 0.00 C ATOM 632 CG ARG A 47 -1.544 12.612 -7.645 1.00 0.00 C ATOM 633 CD ARG A 47 -2.809 13.230 -8.221 1.00 0.00 C ATOM 634 NE ARG A 47 -2.957 14.635 -7.835 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.083 15.647 -8.695 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.047 15.427 -10.005 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.246 16.880 -8.239 1.00 0.00 N ATOM 0 H ARG A 47 -3.006 13.674 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.351 11.641 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.411 13.786 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.599 12.236 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.671 13.102 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.492 11.561 -7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.788 13.153 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.677 12.666 -7.878 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.964 14.855 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.922 14.479 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.144 16.206 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.275 17.052 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.343 17.657 -8.893 1.00 0.00 H new ATOM 648 N LEU A 48 -2.015 9.909 -4.871 1.00 0.00 N ATOM 649 CA LEU A 48 -1.567 8.837 -4.006 1.00 0.00 C ATOM 650 C LEU A 48 -0.078 8.963 -3.742 1.00 0.00 C ATOM 651 O LEU A 48 0.739 8.861 -4.661 1.00 0.00 O ATOM 652 CB LEU A 48 -1.885 7.483 -4.642 1.00 0.00 C ATOM 653 CG LEU A 48 -3.344 7.301 -5.052 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.604 5.875 -5.495 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.263 7.681 -3.909 1.00 0.00 C ATOM 0 H LEU A 48 -2.123 9.643 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.093 8.908 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.255 7.353 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.618 6.694 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.549 7.960 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.650 5.768 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.967 5.637 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.382 5.193 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.300 7.546 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.054 7.046 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.097 8.724 -3.640 1.00 0.00 H new ATOM 666 N GLU A 49 0.263 9.221 -2.491 1.00 0.00 N ATOM 667 CA GLU A 49 1.649 9.354 -2.086 1.00 0.00 C ATOM 668 C GLU A 49 2.059 8.109 -1.322 1.00 0.00 C ATOM 669 O GLU A 49 1.297 7.634 -0.476 1.00 0.00 O ATOM 670 CB GLU A 49 1.839 10.602 -1.220 1.00 0.00 C ATOM 671 CG GLU A 49 3.293 10.935 -0.925 1.00 0.00 C ATOM 672 CD GLU A 49 4.063 11.316 -2.174 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.425 10.410 -2.950 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.299 12.524 -2.392 1.00 0.00 O ATOM 0 H GLU A 49 -0.409 9.343 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 49 2.277 9.463 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.377 11.453 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.311 10.461 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.337 11.756 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.771 10.076 -0.454 1.00 0.00 H new ATOM 679 N TYR A 50 3.243 7.586 -1.644 1.00 0.00 N ATOM 680 CA TYR A 50 3.772 6.372 -1.023 1.00 0.00 C ATOM 681 C TYR A 50 3.515 6.296 0.378 1.00 0.00 C ATOM 682 O TYR A 50 2.683 5.477 0.771 1.00 0.00 O ATOM 683 CB TYR A 50 5.249 6.096 -1.319 1.00 0.00 C ATOM 684 CG TYR A 50 5.970 7.127 -2.180 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.566 7.395 -3.484 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.063 7.830 -1.681 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.225 8.329 -4.263 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.724 8.764 -2.453 1.00 0.00 C ATOM 689 CZ TYR A 50 7.303 9.010 -3.742 1.00 0.00 C ATOM 690 OH TYR A 50 7.959 9.948 -4.507 1.00 0.00 O ATOM 0 H TYR A 50 3.863 7.993 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 50 3.208 5.576 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.778 6.013 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.324 5.127 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.721 6.863 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.400 7.641 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.896 8.523 -5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.569 9.301 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 50 8.695 10.336 -3.989 1.00 0.00 H new ATOM 699 N PRO A 51 4.132 7.034 1.214 1.00 0.00 N ATOM 700 CA PRO A 51 3.797 6.795 2.493 1.00 0.00 C ATOM 701 C PRO A 51 2.972 7.890 3.104 1.00 0.00 C ATOM 702 O PRO A 51 3.334 9.071 3.118 1.00 0.00 O ATOM 703 CB PRO A 51 5.134 6.639 3.078 1.00 0.00 C ATOM 704 CG PRO A 51 5.954 7.712 2.406 1.00 0.00 C ATOM 705 CD PRO A 51 5.238 7.984 1.099 1.00 0.00 C ATOM 0 HA PRO A 51 3.143 5.937 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.114 6.771 4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.541 5.646 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.010 8.610 3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.978 7.379 2.235 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.895 9.015 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.867 7.788 0.231 1.00 0.00 H new ATOM 710 N GLY A 52 1.873 7.477 3.621 1.00 0.00 N ATOM 711 CA GLY A 52 0.957 8.401 4.198 1.00 0.00 C ATOM 712 C GLY A 52 0.045 7.769 5.214 1.00 0.00 C ATOM 713 O GLY A 52 0.294 6.654 5.669 1.00 0.00 O ATOM 0 H GLY A 52 1.581 6.500 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.515 9.209 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.355 8.849 3.407 1.00 0.00 H new ATOM 717 N GLU A 53 -1.027 8.476 5.545 1.00 0.00 N ATOM 718 CA GLU A 53 -1.998 8.004 6.525 1.00 0.00 C ATOM 719 C GLU A 53 -3.373 8.604 6.264 1.00 0.00 C ATOM 720 O GLU A 53 -3.492 9.771 5.883 1.00 0.00 O ATOM 721 CB GLU A 53 -1.556 8.371 7.944 1.00 0.00 C ATOM 722 CG GLU A 53 -0.287 7.674 8.390 1.00 0.00 C ATOM 723 CD GLU A 53 0.255 8.220 9.688 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.508 9.443 9.764 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.433 7.426 10.638 1.00 0.00 O ATOM 0 H GLU A 53 -1.248 9.388 5.145 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.057 6.920 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.406 9.449 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.358 8.124 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.484 6.608 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.471 7.777 7.613 1.00 0.00 H new ATOM 730 N SER A 54 -4.395 7.789 6.489 1.00 0.00 N ATOM 731 CA SER A 54 -5.790 8.169 6.321 1.00 0.00 C ATOM 732 C SER A 54 -6.094 8.752 4.941 1.00 0.00 C ATOM 733 O SER A 54 -6.841 9.725 4.826 1.00 0.00 O ATOM 734 CB SER A 54 -6.185 9.152 7.414 1.00 0.00 C ATOM 735 OG SER A 54 -5.936 8.600 8.696 1.00 0.00 O ATOM 0 H SER A 54 -4.274 6.825 6.800 1.00 0.00 H new ATOM 0 HA SER A 54 -6.384 7.259 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.624 10.079 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.241 9.404 7.320 1.00 0.00 H new ATOM 0 HG SER A 54 -6.194 9.246 9.386 1.00 0.00 H new ATOM 740 N PHE A 55 -5.546 8.150 3.892 1.00 0.00 N ATOM 741 CA PHE A 55 -5.800 8.638 2.542 1.00 0.00 C ATOM 742 C PHE A 55 -7.260 8.385 2.169 1.00 0.00 C ATOM 743 O PHE A 55 -7.905 9.219 1.541 1.00 0.00 O ATOM 744 CB PHE A 55 -4.857 7.976 1.521 1.00 0.00 C ATOM 745 CG PHE A 55 -5.249 6.580 1.120 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.088 5.516 1.989 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.788 6.341 -0.134 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.460 4.237 1.616 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.158 5.067 -0.514 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.996 4.014 0.362 1.00 0.00 C ATOM 0 H PHE A 55 -4.933 7.337 3.947 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.606 9.710 2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.816 8.599 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.851 7.951 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.667 5.686 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.920 7.162 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.332 3.414 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.574 4.895 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.288 3.016 0.068 1.00 0.00 H new ATOM 759 N GLY A 56 -7.791 7.247 2.623 1.00 0.00 N ATOM 760 CA GLY A 56 -9.165 6.876 2.328 1.00 0.00 C ATOM 761 C GLY A 56 -10.180 7.910 2.785 1.00 0.00 C ATOM 762 O GLY A 56 -11.319 7.903 2.328 1.00 0.00 O ATOM 0 H GLY A 56 -7.285 6.571 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.270 6.725 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.387 5.923 2.808 1.00 0.00 H new ATOM 766 N SER A 57 -9.767 8.794 3.689 1.00 0.00 N ATOM 767 CA SER A 57 -10.645 9.835 4.206 1.00 0.00 C ATOM 768 C SER A 57 -11.044 10.803 3.089 1.00 0.00 C ATOM 769 O SER A 57 -12.057 11.498 3.190 1.00 0.00 O ATOM 770 CB SER A 57 -9.944 10.587 5.342 1.00 0.00 C ATOM 771 OG SER A 57 -10.840 11.432 6.046 1.00 0.00 O ATOM 0 H SER A 57 -8.825 8.808 4.079 1.00 0.00 H new ATOM 0 HA SER A 57 -11.552 9.372 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.501 9.870 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.127 11.183 4.934 1.00 0.00 H new ATOM 0 HG SER A 57 -10.358 11.894 6.764 1.00 0.00 H new ATOM 776 N SER A 58 -10.252 10.838 2.020 1.00 0.00 N ATOM 777 CA SER A 58 -10.533 11.716 0.893 1.00 0.00 C ATOM 778 C SER A 58 -10.227 11.021 -0.437 1.00 0.00 C ATOM 779 O SER A 58 -9.992 11.684 -1.448 1.00 0.00 O ATOM 780 CB SER A 58 -9.706 12.998 1.007 1.00 0.00 C ATOM 781 OG SER A 58 -9.876 13.610 2.275 1.00 0.00 O ATOM 0 H SER A 58 -9.413 10.269 1.913 1.00 0.00 H new ATOM 0 HA SER A 58 -11.594 11.965 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.652 12.769 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.001 13.695 0.222 1.00 0.00 H new ATOM 0 HG SER A 58 -9.335 14.426 2.320 1.00 0.00 H new ATOM 786 N CYS A 59 -10.239 9.690 -0.438 1.00 0.00 N ATOM 787 CA CYS A 59 -9.950 8.929 -1.644 1.00 0.00 C ATOM 788 C CYS A 59 -11.029 7.889 -1.914 1.00 0.00 C ATOM 789 O CYS A 59 -11.562 7.274 -0.989 1.00 0.00 O ATOM 790 CB CYS A 59 -8.596 8.230 -1.525 1.00 0.00 C ATOM 791 SG CYS A 59 -7.189 9.353 -1.253 1.00 0.00 S ATOM 0 H CYS A 59 -10.446 9.120 0.382 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.926 9.633 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.640 7.517 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.416 7.656 -2.434 1.00 0.00 H new ATOM 795 N VAL A 60 -11.341 7.700 -3.185 1.00 0.00 N ATOM 796 CA VAL A 60 -12.343 6.729 -3.609 1.00 0.00 C ATOM 797 C VAL A 60 -11.823 5.915 -4.788 1.00 0.00 C ATOM 798 O VAL A 60 -10.753 6.216 -5.323 1.00 0.00 O ATOM 799 CB VAL A 60 -13.672 7.405 -4.009 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.353 8.023 -2.799 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.437 8.454 -5.086 1.00 0.00 C ATOM 0 H VAL A 60 -10.909 8.213 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.535 6.076 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.333 6.638 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.287 8.493 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.563 7.246 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.698 8.774 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.386 8.919 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.753 9.215 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.003 7.980 -5.967 1.00 0.00 H new ATOM 811 N LYS A 61 -12.581 4.892 -5.183 1.00 0.00 N ATOM 812 CA LYS A 61 -12.212 4.018 -6.300 1.00 0.00 C ATOM 813 C LYS A 61 -10.925 3.256 -6.019 1.00 0.00 C ATOM 814 O LYS A 61 -10.108 3.056 -6.916 1.00 0.00 O ATOM 815 CB LYS A 61 -12.063 4.793 -7.615 1.00 0.00 C ATOM 816 CG LYS A 61 -13.368 5.022 -8.359 1.00 0.00 C ATOM 817 CD LYS A 61 -14.153 6.194 -7.800 1.00 0.00 C ATOM 818 CE LYS A 61 -15.464 6.382 -8.545 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.267 6.431 -10.021 1.00 0.00 N ATOM 0 H LYS A 61 -13.466 4.645 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.031 3.306 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.605 5.759 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.378 4.251 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.156 5.200 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.978 4.120 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.354 6.029 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.556 7.103 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.142 5.565 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.941 7.304 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.124 6.808 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.459 7.047 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.080 5.472 -10.378 1.00 0.00 H new ATOM 829 N THR A 62 -10.747 2.835 -4.777 1.00 0.00 N ATOM 830 CA THR A 62 -9.557 2.090 -4.395 1.00 0.00 C ATOM 831 C THR A 62 -9.523 0.720 -5.074 1.00 0.00 C ATOM 832 O THR A 62 -10.450 -0.080 -4.927 1.00 0.00 O ATOM 833 CB THR A 62 -9.477 1.918 -2.868 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.738 1.458 -2.357 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.097 3.228 -2.197 1.00 0.00 C ATOM 0 H THR A 62 -11.409 2.996 -4.018 1.00 0.00 H new ATOM 0 HA THR A 62 -8.693 2.666 -4.727 1.00 0.00 H new ATOM 0 HB THR A 62 -8.707 1.179 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.159 0.863 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.046 3.083 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.125 3.557 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.847 3.985 -2.426 1.00 0.00 H new ATOM 843 N ALA A 63 -8.453 0.468 -5.816 1.00 0.00 N ATOM 844 CA ALA A 63 -8.270 -0.785 -6.536 1.00 0.00 C ATOM 845 C ALA A 63 -6.784 -1.070 -6.710 1.00 0.00 C ATOM 846 O ALA A 63 -5.957 -0.176 -6.539 1.00 0.00 O ATOM 847 CB ALA A 63 -8.967 -0.733 -7.888 1.00 0.00 C ATOM 0 H ALA A 63 -7.685 1.129 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.717 -1.592 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.819 -1.678 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.034 -0.563 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.549 0.079 -8.482 1.00 0.00 H new ATOM 853 N LEU A 64 -6.444 -2.306 -7.037 1.00 0.00 N ATOM 854 CA LEU A 64 -5.048 -2.687 -7.213 1.00 0.00 C ATOM 855 C LEU A 64 -4.781 -3.189 -8.626 1.00 0.00 C ATOM 856 O LEU A 64 -5.282 -4.236 -9.029 1.00 0.00 O ATOM 857 CB LEU A 64 -4.668 -3.761 -6.188 1.00 0.00 C ATOM 858 CG LEU A 64 -3.598 -3.355 -5.171 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.233 -3.291 -5.823 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.936 -2.014 -4.540 1.00 0.00 C ATOM 0 H LEU A 64 -7.112 -3.062 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.433 -1.801 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.567 -4.054 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.318 -4.643 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.575 -4.114 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.489 -3.001 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.978 -4.270 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.248 -2.557 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.162 -1.745 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.991 -1.250 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.897 -2.084 -4.030 1.00 0.00 H new ATOM 871 N ASN A 65 -3.984 -2.432 -9.373 1.00 0.00 N ATOM 872 CA ASN A 65 -3.629 -2.789 -10.740 1.00 0.00 C ATOM 873 C ASN A 65 -2.591 -3.897 -10.743 1.00 0.00 C ATOM 874 O ASN A 65 -1.489 -3.716 -10.212 1.00 0.00 O ATOM 875 CB ASN A 65 -3.058 -1.579 -11.481 1.00 0.00 C ATOM 876 CG ASN A 65 -4.074 -0.478 -11.723 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.733 0.704 -11.693 1.00 0.00 O ATOM 878 ND2 ASN A 65 -5.323 -0.844 -11.971 1.00 0.00 N ATOM 0 H ASN A 65 -3.568 -1.559 -9.049 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.534 -3.130 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.225 -1.173 -10.908 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.656 -1.907 -12.439 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.037 -0.136 -12.145 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.571 -1.833 -11.988 1.00 0.00 H new ATOM 884 N ASP A 66 -2.967 -5.048 -11.304 1.00 0.00 N ATOM 885 CA ASP A 66 -2.084 -6.219 -11.414 1.00 0.00 C ATOM 886 C ASP A 66 -1.601 -6.693 -10.036 1.00 0.00 C ATOM 887 O ASP A 66 -0.732 -7.558 -9.931 1.00 0.00 O ATOM 888 CB ASP A 66 -0.893 -5.896 -12.330 1.00 0.00 C ATOM 889 CG ASP A 66 -0.114 -7.127 -12.764 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.650 -7.928 -13.562 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.050 -7.284 -12.336 1.00 0.00 O ATOM 0 H ASP A 66 -3.896 -5.198 -11.698 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.656 -7.035 -11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.256 -5.374 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.220 -5.213 -11.811 1.00 0.00 H new ATOM 895 N GLY A 67 -2.182 -6.134 -8.983 1.00 0.00 N ATOM 896 CA GLY A 67 -1.808 -6.509 -7.635 1.00 0.00 C ATOM 897 C GLY A 67 -0.473 -5.935 -7.187 1.00 0.00 C ATOM 898 O GLY A 67 0.222 -6.550 -6.384 1.00 0.00 O ATOM 0 H GLY A 67 -2.911 -5.423 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.585 -6.177 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.766 -7.596 -7.568 1.00 0.00 H new ATOM 902 N HIS A 68 -0.108 -4.757 -7.692 1.00 0.00 N ATOM 903 CA HIS A 68 1.159 -4.129 -7.299 1.00 0.00 C ATOM 904 C HIS A 68 1.028 -2.604 -7.226 1.00 0.00 C ATOM 905 O HIS A 68 1.757 -1.942 -6.490 1.00 0.00 O ATOM 906 CB HIS A 68 2.302 -4.527 -8.255 1.00 0.00 C ATOM 907 CG HIS A 68 2.282 -3.847 -9.595 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.229 -2.927 -9.978 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.439 -3.971 -10.647 1.00 0.00 C ATOM 910 CE1 HIS A 68 2.971 -2.515 -11.204 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.889 -3.133 -11.636 1.00 0.00 N ATOM 0 H HIS A 68 -0.660 -4.223 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 68 1.405 -4.496 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.253 -4.309 -7.769 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.264 -5.605 -8.412 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.010 -2.612 -9.403 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.571 -4.612 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.549 -1.792 -11.761 1.00 0.00 H new ATOM 919 N THR A 69 0.092 -2.059 -7.986 1.00 0.00 N ATOM 920 CA THR A 69 -0.133 -0.628 -8.016 1.00 0.00 C ATOM 921 C THR A 69 -1.517 -0.273 -7.482 1.00 0.00 C ATOM 922 O THR A 69 -2.510 -0.856 -7.893 1.00 0.00 O ATOM 923 CB THR A 69 0.001 -0.119 -9.460 1.00 0.00 C ATOM 924 OG1 THR A 69 1.367 -0.199 -9.882 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.516 1.302 -9.603 1.00 0.00 C ATOM 0 H THR A 69 -0.528 -2.594 -8.594 1.00 0.00 H new ATOM 0 HA THR A 69 0.612 -0.153 -7.378 1.00 0.00 H new ATOM 0 HB THR A 69 -0.610 -0.756 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.444 0.126 -10.803 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.405 1.627 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.569 1.336 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.054 1.964 -8.951 1.00 0.00 H new ATOM 933 N LEU A 70 -1.580 0.676 -6.566 1.00 0.00 N ATOM 934 CA LEU A 70 -2.856 1.106 -6.011 1.00 0.00 C ATOM 935 C LEU A 70 -3.403 2.256 -6.830 1.00 0.00 C ATOM 936 O LEU A 70 -2.690 3.204 -7.123 1.00 0.00 O ATOM 937 CB LEU A 70 -2.703 1.528 -4.545 1.00 0.00 C ATOM 938 CG LEU A 70 -3.871 2.330 -3.950 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.150 1.506 -3.927 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.524 2.813 -2.550 1.00 0.00 C ATOM 0 H LEU A 70 -0.767 1.164 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.552 0.268 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.560 0.631 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.795 2.123 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.043 3.197 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.958 2.100 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.412 1.213 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.997 0.614 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.361 3.379 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.320 1.955 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.641 3.451 -2.594 1.00 0.00 H new ATOM 951 N THR A 71 -4.653 2.155 -7.218 1.00 0.00 N ATOM 952 CA THR A 71 -5.290 3.198 -7.994 1.00 0.00 C ATOM 953 C THR A 71 -6.471 3.766 -7.230 1.00 0.00 C ATOM 954 O THR A 71 -7.303 3.015 -6.720 1.00 0.00 O ATOM 955 CB THR A 71 -5.764 2.668 -9.359 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.547 1.252 -9.438 1.00 0.00 O ATOM 957 CG2 THR A 71 -5.025 3.366 -10.488 1.00 0.00 C ATOM 0 H THR A 71 -5.253 1.357 -7.008 1.00 0.00 H new ATOM 0 HA THR A 71 -4.554 3.983 -8.168 1.00 0.00 H new ATOM 0 HB THR A 71 -6.830 2.874 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.993 0.897 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.373 2.978 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.216 4.438 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.955 3.183 -10.390 1.00 0.00 H new ATOM 965 N ALA A 72 -6.520 5.085 -7.124 1.00 0.00 N ATOM 966 CA ALA A 72 -7.608 5.746 -6.425 1.00 0.00 C ATOM 967 C ALA A 72 -7.679 7.222 -6.795 1.00 0.00 C ATOM 968 O ALA A 72 -6.709 7.806 -7.285 1.00 0.00 O ATOM 969 CB ALA A 72 -7.449 5.586 -4.918 1.00 0.00 C ATOM 0 H ALA A 72 -5.820 5.717 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.541 5.273 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.273 6.087 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.456 4.527 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.505 6.030 -4.603 1.00 0.00 H new ATOM 975 N SER A 73 -8.835 7.813 -6.563 1.00 0.00 N ATOM 976 CA SER A 73 -9.052 9.217 -6.847 1.00 0.00 C ATOM 977 C SER A 73 -9.164 9.959 -5.525 1.00 0.00 C ATOM 978 O SER A 73 -10.007 9.621 -4.692 1.00 0.00 O ATOM 979 CB SER A 73 -10.322 9.396 -7.680 1.00 0.00 C ATOM 980 OG SER A 73 -10.439 10.722 -8.160 1.00 0.00 O ATOM 0 H SER A 73 -9.647 7.335 -6.174 1.00 0.00 H new ATOM 0 HA SER A 73 -8.218 9.619 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.309 8.702 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.194 9.147 -7.075 1.00 0.00 H new ATOM 0 HG SER A 73 -11.365 11.026 -8.060 1.00 0.00 H new ATOM 985 N CYS A 74 -8.321 10.958 -5.325 1.00 0.00 N ATOM 986 CA CYS A 74 -8.323 11.695 -4.073 1.00 0.00 C ATOM 987 C CYS A 74 -8.561 13.181 -4.273 1.00 0.00 C ATOM 988 O CYS A 74 -8.214 13.753 -5.309 1.00 0.00 O ATOM 989 CB CYS A 74 -6.988 11.493 -3.368 1.00 0.00 C ATOM 990 SG CYS A 74 -6.541 9.752 -3.125 1.00 0.00 S ATOM 0 H CYS A 74 -7.632 11.275 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.144 11.309 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.205 11.982 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.022 11.988 -2.397 1.00 0.00 H new ATOM 994 N LYS A 75 -9.180 13.795 -3.276 1.00 0.00 N ATOM 995 CA LYS A 75 -9.450 15.219 -3.295 1.00 0.00 C ATOM 996 C LYS A 75 -8.406 15.961 -2.460 1.00 0.00 C ATOM 997 O LYS A 75 -8.010 15.497 -1.395 1.00 0.00 O ATOM 998 CB LYS A 75 -10.869 15.501 -2.777 1.00 0.00 C ATOM 999 CG LYS A 75 -11.138 16.969 -2.482 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.899 17.292 -1.017 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.697 18.778 -0.793 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.583 19.111 0.652 1.00 0.00 N ATOM 0 H LYS A 75 -9.507 13.319 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.388 15.578 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.591 15.151 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.035 14.922 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.493 17.591 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.167 17.212 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.748 16.947 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.023 16.749 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.796 19.104 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.532 19.327 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.446 20.136 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.453 18.823 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.771 18.607 1.061 1.00 0.00 H new ATOM 1012 N GLY A 76 -7.961 17.109 -2.953 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.982 17.894 -2.225 1.00 0.00 C ATOM 1014 C GLY A 76 -6.274 18.885 -3.120 1.00 0.00 C ATOM 1015 O GLY A 76 -5.901 19.968 -2.679 1.00 0.00 O ATOM 0 H GLY A 76 -8.259 17.511 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.476 18.427 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.249 17.228 -1.770 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.098 18.499 -4.379 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.443 19.336 -5.379 1.00 0.00 C ATOM 1021 C ALA A 77 -5.974 20.762 -5.379 1.00 0.00 C ATOM 1022 O ALA A 77 -5.201 21.717 -5.441 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.600 18.715 -6.756 1.00 0.00 C ATOM 0 H ALA A 77 -6.406 17.595 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.386 19.389 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.109 19.345 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.145 17.725 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.659 18.629 -6.998 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.288 20.904 -5.286 1.00 0.00 N ATOM 1030 CA ASP A 78 -7.914 22.223 -5.289 1.00 0.00 C ATOM 1031 C ASP A 78 -9.392 22.081 -4.965 1.00 0.00 C ATOM 1032 O ASP A 78 -10.248 22.583 -5.684 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.743 22.896 -6.660 1.00 0.00 C ATOM 1034 CG ASP A 78 -7.834 24.408 -6.587 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -6.830 25.045 -6.208 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -8.895 24.973 -6.916 1.00 0.00 O ATOM 0 H ASP A 78 -7.942 20.125 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.432 22.846 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.777 22.614 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.508 22.523 -7.341 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.687 21.352 -3.892 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.071 21.131 -3.503 1.00 0.00 C ATOM 1042 C GLY A 79 -11.767 20.165 -4.441 1.00 0.00 C ATOM 1043 O GLY A 79 -12.968 19.926 -4.334 1.00 0.00 O ATOM 0 H GLY A 79 -8.995 20.911 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.106 20.740 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.604 22.082 -3.498 1.00 0.00 H new ATOM 1047 N GLN A 80 -10.991 19.612 -5.356 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.483 18.665 -6.339 1.00 0.00 C ATOM 1049 C GLN A 80 -10.700 17.369 -6.229 1.00 0.00 C ATOM 1050 O GLN A 80 -9.634 17.335 -5.601 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.322 19.233 -7.750 1.00 0.00 C ATOM 1052 CG GLN A 80 -9.894 19.646 -8.069 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.638 19.782 -9.554 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.235 19.078 -10.367 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -8.741 20.684 -9.915 1.00 0.00 N ATOM 0 H GLN A 80 -9.994 19.810 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.540 18.477 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.648 18.487 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.977 20.096 -7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.678 20.596 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.207 18.909 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.270 21.246 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.520 20.817 -10.902 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.213 16.317 -6.847 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.559 15.020 -6.823 1.00 0.00 C ATOM 1064 C TYR A 81 -9.817 14.782 -8.132 1.00 0.00 C ATOM 1065 O TYR A 81 -10.072 15.462 -9.130 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.580 13.898 -6.569 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.611 13.723 -7.667 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.305 13.015 -8.822 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.889 14.257 -7.547 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.233 12.846 -9.826 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.828 14.092 -8.549 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.492 13.386 -9.688 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.421 13.208 -10.687 1.00 0.00 O ATOM 0 H TYR A 81 -12.086 16.338 -7.374 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.838 15.012 -6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.043 12.958 -6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.098 14.101 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.319 12.588 -8.935 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.153 14.809 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.974 12.293 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.817 14.512 -8.442 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.259 13.649 -10.436 1.00 0.00 H new ATOM 1082 N HIS A 82 -8.898 13.827 -8.120 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.118 13.485 -9.300 1.00 0.00 C ATOM 1084 C HIS A 82 -7.696 12.026 -9.234 1.00 0.00 C ATOM 1085 O HIS A 82 -7.258 11.546 -8.189 1.00 0.00 O ATOM 1086 CB HIS A 82 -6.887 14.389 -9.413 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.953 15.366 -10.549 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.011 16.226 -10.745 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.080 15.614 -11.555 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.787 16.960 -11.818 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.621 16.612 -12.326 1.00 0.00 N ATOM 0 H HIS A 82 -8.673 13.270 -7.296 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.736 13.637 -10.185 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.766 14.939 -8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.001 13.766 -9.533 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.839 16.286 -10.152 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.135 15.119 -11.719 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.447 17.718 -12.214 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.858 11.320 -10.342 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.491 9.912 -10.421 1.00 0.00 C ATOM 1101 C ASP A 83 -5.974 9.763 -10.439 1.00 0.00 C ATOM 1102 O ASP A 83 -5.292 10.362 -11.272 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.095 9.280 -11.677 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.717 7.819 -11.852 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -6.651 7.542 -12.445 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -8.499 6.944 -11.428 1.00 0.00 O ATOM 0 H ASP A 83 -8.244 11.701 -11.206 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.884 9.398 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.181 9.365 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.767 9.841 -12.552 1.00 0.00 H new ATOM 1110 N SER A 84 -5.450 8.972 -9.522 1.00 0.00 N ATOM 1111 CA SER A 84 -4.019 8.759 -9.438 1.00 0.00 C ATOM 1112 C SER A 84 -3.710 7.313 -9.074 1.00 0.00 C ATOM 1113 O SER A 84 -4.607 6.538 -8.740 1.00 0.00 O ATOM 1114 CB SER A 84 -3.412 9.714 -8.410 1.00 0.00 C ATOM 1115 OG SER A 84 -4.080 9.625 -7.164 1.00 0.00 O ATOM 0 H SER A 84 -5.995 8.466 -8.824 1.00 0.00 H new ATOM 0 HA SER A 84 -3.576 8.962 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.355 9.482 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.469 10.737 -8.783 1.00 0.00 H new ATOM 0 HG SER A 84 -4.820 10.267 -7.143 1.00 0.00 H new ATOM 1120 N SER A 85 -2.442 6.947 -9.153 1.00 0.00 N ATOM 1121 CA SER A 85 -2.022 5.600 -8.820 1.00 0.00 C ATOM 1122 C SER A 85 -0.773 5.653 -7.964 1.00 0.00 C ATOM 1123 O SER A 85 -0.114 6.690 -7.875 1.00 0.00 O ATOM 1124 CB SER A 85 -1.741 4.771 -10.067 1.00 0.00 C ATOM 1125 OG SER A 85 -2.483 5.236 -11.187 1.00 0.00 O ATOM 0 H SER A 85 -1.686 7.566 -9.445 1.00 0.00 H new ATOM 0 HA SER A 85 -2.836 5.125 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.676 4.808 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.990 3.728 -9.874 1.00 0.00 H new ATOM 0 HG SER A 85 -2.277 4.682 -11.969 1.00 0.00 H new ATOM 1130 N MET A 86 -0.451 4.545 -7.335 1.00 0.00 N ATOM 1131 CA MET A 86 0.708 4.471 -6.476 1.00 0.00 C ATOM 1132 C MET A 86 1.351 3.097 -6.544 1.00 0.00 C ATOM 1133 O MET A 86 0.711 2.095 -6.238 1.00 0.00 O ATOM 1134 CB MET A 86 0.292 4.756 -5.036 1.00 0.00 C ATOM 1135 CG MET A 86 1.439 4.733 -4.037 1.00 0.00 C ATOM 1136 SD MET A 86 2.473 6.211 -4.125 1.00 0.00 S ATOM 1137 CE MET A 86 3.307 6.029 -5.697 1.00 0.00 C ATOM 0 H MET A 86 -0.981 3.676 -7.404 1.00 0.00 H new ATOM 0 HA MET A 86 1.432 5.212 -6.814 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.190 5.733 -4.996 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.453 4.020 -4.733 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.035 4.637 -3.029 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.055 3.853 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.171 6.693 -5.729 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.637 4.997 -5.816 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.622 6.286 -6.504 1.00 0.00 H new ATOM 1145 N ASP A 87 2.606 3.044 -6.955 1.00 0.00 N ATOM 1146 CA ASP A 87 3.314 1.783 -7.011 1.00 0.00 C ATOM 1147 C ASP A 87 3.666 1.367 -5.589 1.00 0.00 C ATOM 1148 O ASP A 87 4.581 1.916 -4.975 1.00 0.00 O ATOM 1149 CB ASP A 87 4.580 1.904 -7.863 1.00 0.00 C ATOM 1150 CG ASP A 87 4.281 2.168 -9.329 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.986 3.330 -9.680 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.340 1.220 -10.138 1.00 0.00 O ATOM 0 H ASP A 87 3.150 3.854 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 87 2.679 1.028 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.199 2.711 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.161 0.986 -7.775 1.00 0.00 H new ATOM 1156 N LEU A 88 2.935 0.390 -5.078 1.00 0.00 N ATOM 1157 CA LEU A 88 3.128 -0.096 -3.715 1.00 0.00 C ATOM 1158 C LEU A 88 4.362 -0.966 -3.632 1.00 0.00 C ATOM 1159 O LEU A 88 4.770 -1.381 -2.546 1.00 0.00 O ATOM 1160 CB LEU A 88 1.912 -0.889 -3.245 1.00 0.00 C ATOM 1161 CG LEU A 88 0.549 -0.272 -3.571 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.567 -1.138 -3.010 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.455 1.142 -3.017 1.00 0.00 C ATOM 0 H LEU A 88 2.194 -0.089 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 88 3.257 0.770 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.956 -1.883 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.982 -1.020 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 88 0.441 -0.222 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.531 -0.689 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.512 -2.133 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.460 -1.214 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.521 1.563 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.582 1.118 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.237 1.759 -3.460 1.00 0.00 H new ATOM 1174 N ASN A 89 4.923 -1.269 -4.789 1.00 0.00 N ATOM 1175 CA ASN A 89 6.132 -2.085 -4.885 1.00 0.00 C ATOM 1176 C ASN A 89 7.209 -1.626 -3.904 1.00 0.00 C ATOM 1177 O ASN A 89 7.972 -2.439 -3.386 1.00 0.00 O ATOM 1178 CB ASN A 89 6.683 -2.048 -6.309 1.00 0.00 C ATOM 1179 CG ASN A 89 5.893 -2.928 -7.252 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.899 -2.498 -7.831 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.339 -4.163 -7.423 1.00 0.00 N ATOM 0 H ASN A 89 4.558 -0.960 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 89 5.856 -3.107 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.669 -1.022 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.724 -2.369 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.852 -4.798 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.169 -4.479 -6.922 1.00 0.00 H new ATOM 1187 N TYR A 90 7.254 -0.330 -3.622 1.00 0.00 N ATOM 1188 CA TYR A 90 8.242 0.193 -2.697 1.00 0.00 C ATOM 1189 C TYR A 90 7.575 0.808 -1.472 1.00 0.00 C ATOM 1190 O TYR A 90 8.148 1.677 -0.812 1.00 0.00 O ATOM 1191 CB TYR A 90 9.176 1.199 -3.392 1.00 0.00 C ATOM 1192 CG TYR A 90 8.474 2.317 -4.140 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.120 3.497 -3.498 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.183 2.196 -5.495 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.496 4.521 -4.182 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.562 3.220 -6.185 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.221 4.380 -5.524 1.00 0.00 C ATOM 1198 OH TYR A 90 6.612 5.407 -6.207 1.00 0.00 O ATOM 0 H TYR A 90 6.624 0.368 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 90 8.854 -0.641 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.832 1.641 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.812 0.657 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.337 3.615 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.447 1.287 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.224 5.430 -3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.345 3.111 -7.237 1.00 0.00 H new ATOM 0 HH TYR A 90 6.412 6.139 -5.587 1.00 0.00 H new ATOM 1207 N VAL A 91 6.347 0.368 -1.180 1.00 0.00 N ATOM 1208 CA VAL A 91 5.628 0.866 -0.013 1.00 0.00 C ATOM 1209 C VAL A 91 5.060 -0.297 0.817 1.00 0.00 C ATOM 1210 O VAL A 91 4.522 -0.095 1.908 1.00 0.00 O ATOM 1211 CB VAL A 91 4.517 1.893 -0.377 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.937 2.772 -1.522 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.183 1.264 -0.682 1.00 0.00 C ATOM 0 H VAL A 91 5.839 -0.324 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 91 6.354 1.405 0.595 1.00 0.00 H new ATOM 0 HB VAL A 91 4.385 2.498 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.138 3.478 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.838 3.320 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.139 2.156 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.461 2.043 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.286 0.586 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.836 0.707 0.188 1.00 0.00 H new ATOM 1223 N VAL A 92 5.203 -1.520 0.295 1.00 0.00 N ATOM 1224 CA VAL A 92 4.739 -2.729 0.984 1.00 0.00 C ATOM 1225 C VAL A 92 5.744 -3.856 0.777 1.00 0.00 C ATOM 1226 O VAL A 92 6.364 -3.948 -0.285 1.00 0.00 O ATOM 1227 CB VAL A 92 3.368 -3.246 0.485 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.726 -4.153 1.524 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.433 -2.120 0.115 1.00 0.00 C ATOM 0 H VAL A 92 5.640 -1.699 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 92 4.637 -2.447 2.032 1.00 0.00 H new ATOM 0 HB VAL A 92 3.554 -3.823 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.763 -4.506 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.377 -5.007 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.577 -3.597 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.485 -2.533 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.259 -1.490 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.879 -1.523 -0.681 1.00 0.00 H new ATOM 1239 N GLY A 93 5.897 -4.716 1.776 1.00 0.00 N ATOM 1240 CA GLY A 93 6.817 -5.826 1.658 1.00 0.00 C ATOM 1241 C GLY A 93 6.313 -7.087 2.332 1.00 0.00 C ATOM 1242 O GLY A 93 5.250 -7.082 2.961 1.00 0.00 O ATOM 0 H GLY A 93 5.400 -4.663 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.996 -6.032 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.775 -5.545 2.095 1.00 0.00 H new ATOM 1246 N ASN A 94 7.085 -8.159 2.201 1.00 0.00 N ATOM 1247 CA ASN A 94 6.740 -9.454 2.784 1.00 0.00 C ATOM 1248 C ASN A 94 7.927 -10.046 3.541 1.00 0.00 C ATOM 1249 O ASN A 94 9.051 -10.071 3.035 1.00 0.00 O ATOM 1250 CB ASN A 94 6.310 -10.435 1.690 1.00 0.00 C ATOM 1251 CG ASN A 94 6.117 -11.855 2.208 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.649 -12.074 3.327 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.504 -12.832 1.401 1.00 0.00 N ATOM 0 H ASN A 94 7.967 -8.157 1.689 1.00 0.00 H new ATOM 0 HA ASN A 94 5.916 -9.294 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.379 -10.087 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.060 -10.441 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.419 -13.804 1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.887 -12.612 0.481 1.00 0.00 H new ATOM 1259 N SER A 95 7.667 -10.521 4.747 1.00 0.00 N ATOM 1260 CA SER A 95 8.692 -11.136 5.571 1.00 0.00 C ATOM 1261 C SER A 95 8.118 -12.325 6.327 1.00 0.00 C ATOM 1262 O SER A 95 7.308 -12.155 7.236 1.00 0.00 O ATOM 1263 CB SER A 95 9.272 -10.124 6.555 1.00 0.00 C ATOM 1264 OG SER A 95 10.233 -9.290 5.928 1.00 0.00 O ATOM 0 H SER A 95 6.744 -10.491 5.180 1.00 0.00 H new ATOM 0 HA SER A 95 9.492 -11.483 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.469 -9.512 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.733 -10.649 7.391 1.00 0.00 H new ATOM 0 HG SER A 95 10.103 -9.314 4.957 1.00 0.00 H new ATOM 1269 N TYR A 96 8.530 -13.527 5.926 1.00 0.00 N ATOM 1270 CA TYR A 96 8.076 -14.764 6.555 1.00 0.00 C ATOM 1271 C TYR A 96 6.569 -14.934 6.396 1.00 0.00 C ATOM 1272 O TYR A 96 5.878 -15.335 7.333 1.00 0.00 O ATOM 1273 CB TYR A 96 8.460 -14.798 8.041 1.00 0.00 C ATOM 1274 CG TYR A 96 9.951 -14.746 8.289 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.799 -15.710 7.762 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.509 -13.732 9.059 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.160 -15.666 7.993 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.870 -13.681 9.293 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.690 -14.650 8.757 1.00 0.00 C ATOM 1280 OH TYR A 96 14.045 -14.605 8.991 1.00 0.00 O ATOM 0 H TYR A 96 9.186 -13.669 5.158 1.00 0.00 H new ATOM 0 HA TYR A 96 8.573 -15.594 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.988 -13.957 8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.058 -15.707 8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.388 -16.508 7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.868 -12.972 9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.806 -16.425 7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.289 -12.886 9.893 1.00 0.00 H new ATOM 0 HH TYR A 96 14.255 -13.825 9.546 1.00 0.00 H new ATOM 1289 N GLY A 97 6.073 -14.662 5.191 1.00 0.00 N ATOM 1290 CA GLY A 97 4.650 -14.771 4.922 1.00 0.00 C ATOM 1291 C GLY A 97 3.841 -13.824 5.778 1.00 0.00 C ATOM 1292 O GLY A 97 2.671 -14.074 6.065 1.00 0.00 O ATOM 0 H GLY A 97 6.635 -14.367 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.462 -14.559 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.323 -15.795 5.105 1.00 0.00 H new ATOM 1296 N TYR A 98 4.473 -12.737 6.188 1.00 0.00 N ATOM 1297 CA TYR A 98 3.834 -11.750 7.029 1.00 0.00 C ATOM 1298 C TYR A 98 3.982 -10.370 6.407 1.00 0.00 C ATOM 1299 O TYR A 98 5.020 -10.049 5.824 1.00 0.00 O ATOM 1300 CB TYR A 98 4.451 -11.779 8.428 1.00 0.00 C ATOM 1301 CG TYR A 98 3.739 -10.891 9.422 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.383 -11.049 9.675 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.423 -9.896 10.106 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.727 -10.239 10.584 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.776 -9.082 11.017 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.428 -9.258 11.251 1.00 0.00 C ATOM 1307 OH TYR A 98 1.779 -8.453 12.161 1.00 0.00 O ATOM 0 H TYR A 98 5.439 -12.518 5.946 1.00 0.00 H new ATOM 0 HA TYR A 98 2.772 -11.982 7.114 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.443 -12.804 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.495 -11.472 8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.831 -11.817 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.478 -9.755 9.924 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.672 -10.375 10.770 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.323 -8.313 11.542 1.00 0.00 H new ATOM 0 HH TYR A 98 2.415 -7.814 12.544 1.00 0.00 H new ATOM 1316 N MET A 99 2.934 -9.568 6.529 1.00 0.00 N ATOM 1317 CA MET A 99 2.921 -8.223 5.975 1.00 0.00 C ATOM 1318 C MET A 99 3.900 -7.299 6.689 1.00 0.00 C ATOM 1319 O MET A 99 3.986 -7.288 7.916 1.00 0.00 O ATOM 1320 CB MET A 99 1.498 -7.645 6.027 1.00 0.00 C ATOM 1321 CG MET A 99 0.807 -7.754 7.388 1.00 0.00 C ATOM 1322 SD MET A 99 1.234 -6.424 8.532 1.00 0.00 S ATOM 1323 CE MET A 99 0.503 -5.017 7.701 1.00 0.00 C ATOM 0 H MET A 99 2.074 -9.829 7.012 1.00 0.00 H new ATOM 0 HA MET A 99 3.244 -8.291 4.936 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.538 -6.594 5.739 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.887 -8.156 5.284 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.273 -7.758 7.237 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.069 -8.709 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.286 -4.313 7.421 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.019 -5.354 6.806 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.204 -4.526 8.370 1.00 0.00 H new ATOM 1331 N GLU A 100 4.655 -6.551 5.898 1.00 0.00 N ATOM 1332 CA GLU A 100 5.615 -5.590 6.423 1.00 0.00 C ATOM 1333 C GLU A 100 5.832 -4.460 5.413 1.00 0.00 C ATOM 1334 O GLU A 100 6.871 -4.366 4.766 1.00 0.00 O ATOM 1335 CB GLU A 100 6.937 -6.274 6.782 1.00 0.00 C ATOM 1336 CG GLU A 100 7.524 -7.103 5.661 1.00 0.00 C ATOM 1337 CD GLU A 100 8.910 -6.640 5.263 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.811 -6.630 6.130 1.00 0.00 O ATOM 1339 OE2 GLU A 100 9.114 -6.298 4.084 1.00 0.00 O ATOM 0 H GLU A 100 4.620 -6.592 4.879 1.00 0.00 H new ATOM 0 HA GLU A 100 5.211 -5.160 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.660 -5.513 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.779 -6.914 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.568 -8.147 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.865 -7.055 4.794 1.00 0.00 H new ATOM 1344 N PRO A 101 4.819 -3.602 5.251 1.00 0.00 N ATOM 1345 CA PRO A 101 4.864 -2.466 4.327 1.00 0.00 C ATOM 1346 C PRO A 101 6.069 -1.564 4.572 1.00 0.00 C ATOM 1347 O PRO A 101 6.098 -0.792 5.534 1.00 0.00 O ATOM 1348 CB PRO A 101 3.561 -1.706 4.618 1.00 0.00 C ATOM 1349 CG PRO A 101 3.078 -2.243 5.920 1.00 0.00 C ATOM 1350 CD PRO A 101 3.545 -3.665 5.965 1.00 0.00 C ATOM 0 HA PRO A 101 4.958 -2.794 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.736 -0.632 4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.827 -1.867 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.483 -1.671 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.992 -2.184 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.670 -4.019 6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.840 -4.339 5.479 1.00 0.00 H new ATOM 1355 N CYS A 102 7.071 -1.683 3.714 1.00 0.00 N ATOM 1356 CA CYS A 102 8.268 -0.872 3.832 1.00 0.00 C ATOM 1357 C CYS A 102 8.299 0.164 2.724 1.00 0.00 C ATOM 1358 O CYS A 102 7.975 -0.138 1.578 1.00 0.00 O ATOM 1359 CB CYS A 102 9.535 -1.733 3.751 1.00 0.00 C ATOM 1360 SG CYS A 102 10.130 -2.036 2.048 1.00 0.00 S ATOM 0 H CYS A 102 7.077 -2.334 2.929 1.00 0.00 H new ATOM 0 HA CYS A 102 8.244 -0.380 4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.328 -1.247 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.340 -2.692 4.232 1.00 0.00 H new ATOM 1364 N ARG A 103 8.659 1.383 3.064 1.00 0.00 N ATOM 1365 CA ARG A 103 8.747 2.434 2.071 1.00 0.00 C ATOM 1366 C ARG A 103 10.203 2.828 1.896 1.00 0.00 C ATOM 1367 O ARG A 103 10.993 2.729 2.835 1.00 0.00 O ATOM 1368 CB ARG A 103 7.892 3.657 2.442 1.00 0.00 C ATOM 1369 CG ARG A 103 8.518 4.591 3.471 1.00 0.00 C ATOM 1370 CD ARG A 103 8.585 3.969 4.857 1.00 0.00 C ATOM 1371 NE ARG A 103 7.256 3.611 5.362 1.00 0.00 N ATOM 1372 CZ ARG A 103 6.827 3.878 6.597 1.00 0.00 C ATOM 1373 NH1 ARG A 103 7.642 4.441 7.480 1.00 0.00 N ATOM 1374 NH2 ARG A 103 5.589 3.554 6.955 1.00 0.00 N ATOM 0 H ARG A 103 8.894 1.671 4.014 1.00 0.00 H new ATOM 0 HA ARG A 103 8.350 2.052 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.685 4.226 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.933 3.309 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.524 4.860 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.940 5.514 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.213 3.079 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.059 4.668 5.546 1.00 0.00 H new ATOM 0 HE ARG A 103 6.619 3.127 4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.600 4.671 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.311 4.644 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.967 3.101 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.261 3.758 7.899 1.00 0.00 H new ATOM 1385 N ALA A 104 10.564 3.254 0.700 1.00 0.00 N ATOM 1386 CA ALA A 104 11.935 3.652 0.432 1.00 0.00 C ATOM 1387 C ALA A 104 12.029 5.150 0.170 1.00 0.00 C ATOM 1388 O ALA A 104 12.506 5.582 -0.880 1.00 0.00 O ATOM 1389 CB ALA A 104 12.493 2.866 -0.745 1.00 0.00 C ATOM 0 H ALA A 104 9.933 3.333 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 104 12.533 3.429 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.521 3.175 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.471 1.801 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.888 3.058 -1.631 1.00 0.00 H new ATOM 1395 N SER A 105 11.589 5.936 1.142 1.00 0.00 N ATOM 1396 CA SER A 105 11.605 7.388 1.034 1.00 0.00 C ATOM 1397 C SER A 105 11.120 8.012 2.338 1.00 0.00 C ATOM 1398 O SER A 105 11.828 7.993 3.344 1.00 0.00 O ATOM 1399 CB SER A 105 10.743 7.845 -0.155 1.00 0.00 C ATOM 1400 OG SER A 105 10.767 9.252 -0.304 1.00 0.00 O ATOM 0 H SER A 105 11.213 5.588 2.024 1.00 0.00 H new ATOM 0 HA SER A 105 12.627 7.722 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.105 7.375 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.716 7.511 -0.010 1.00 0.00 H new ATOM 0 HG SER A 105 10.496 9.489 -1.215 1.00 0.00 H new ATOM 1405 N ASN A 106 9.912 8.550 2.295 1.00 0.00 N ATOM 1406 CA ASN A 106 9.265 9.175 3.450 1.00 0.00 C ATOM 1407 C ASN A 106 10.022 10.410 3.922 1.00 0.00 C ATOM 1408 O ASN A 106 11.053 10.323 4.591 1.00 0.00 O ATOM 1409 CB ASN A 106 9.105 8.177 4.599 1.00 0.00 C ATOM 1410 CG ASN A 106 8.343 8.756 5.776 1.00 0.00 C ATOM 1411 OD1 ASN A 106 8.931 9.321 6.697 1.00 0.00 O ATOM 1412 ND2 ASN A 106 7.026 8.623 5.752 1.00 0.00 N ATOM 0 H ASN A 106 9.342 8.568 1.450 1.00 0.00 H new ATOM 0 HA ASN A 106 8.274 9.494 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.585 7.291 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.091 7.853 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.462 8.996 6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.576 8.148 4.970 1.00 0.00 H new ATOM 1418 N ALA A 107 9.494 11.560 3.560 1.00 0.00 N ATOM 1419 CA ALA A 107 10.074 12.836 3.938 1.00 0.00 C ATOM 1420 C ALA A 107 8.960 13.847 4.141 1.00 0.00 C ATOM 1421 O ALA A 107 8.049 13.937 3.321 1.00 0.00 O ATOM 1422 CB ALA A 107 11.053 13.320 2.880 1.00 0.00 C ATOM 0 H ALA A 107 8.649 11.639 2.994 1.00 0.00 H new ATOM 0 HA ALA A 107 10.628 12.717 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.475 14.278 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.855 12.591 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.532 13.439 1.930 1.00 0.00 H new ATOM 1428 N ASP A 108 9.016 14.590 5.232 1.00 0.00 N ATOM 1429 CA ASP A 108 7.982 15.570 5.518 1.00 0.00 C ATOM 1430 C ASP A 108 8.307 16.906 4.872 1.00 0.00 C ATOM 1431 O ASP A 108 9.408 17.436 5.051 1.00 0.00 O ATOM 1432 CB ASP A 108 7.802 15.749 7.024 1.00 0.00 C ATOM 1433 CG ASP A 108 6.743 16.782 7.349 1.00 0.00 C ATOM 1434 OD1 ASP A 108 5.541 16.469 7.213 1.00 0.00 O ATOM 1435 OD2 ASP A 108 7.109 17.916 7.720 1.00 0.00 O ATOM 0 H ASP A 108 9.759 14.535 5.929 1.00 0.00 H new ATOM 0 HA ASP A 108 7.048 15.197 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.527 14.794 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.750 16.049 7.470 1.00 0.00 H new ATOM 1439 N HIS A 109 7.344 17.430 4.115 1.00 0.00 N ATOM 1440 CA HIS A 109 7.467 18.716 3.417 1.00 0.00 C ATOM 1441 C HIS A 109 8.442 18.637 2.235 1.00 0.00 C ATOM 1442 O HIS A 109 8.101 19.013 1.116 1.00 0.00 O ATOM 1443 CB HIS A 109 7.888 19.832 4.390 1.00 0.00 C ATOM 1444 CG HIS A 109 7.936 21.195 3.765 1.00 0.00 C ATOM 1445 ND1 HIS A 109 9.072 21.975 3.741 1.00 0.00 N ATOM 1446 CD2 HIS A 109 6.977 21.917 3.140 1.00 0.00 C ATOM 1447 CE1 HIS A 109 8.810 23.113 3.126 1.00 0.00 C ATOM 1448 NE2 HIS A 109 7.546 23.102 2.750 1.00 0.00 N ATOM 0 H HIS A 109 6.445 16.971 3.965 1.00 0.00 H new ATOM 0 HA HIS A 109 6.483 18.957 3.015 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.192 19.852 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 109 8.871 19.594 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.953 21.615 2.978 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.512 23.917 2.959 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.069 23.853 2.250 1.00 0.00 H new ATOM 1456 N VAL A 110 9.645 18.144 2.483 1.00 0.00 N ATOM 1457 CA VAL A 110 10.659 18.032 1.440 1.00 0.00 C ATOM 1458 C VAL A 110 10.554 16.708 0.691 1.00 0.00 C ATOM 1459 O VAL A 110 11.487 15.906 0.664 1.00 0.00 O ATOM 1460 CB VAL A 110 12.084 18.202 2.005 1.00 0.00 C ATOM 1461 CG1 VAL A 110 12.345 19.659 2.349 1.00 0.00 C ATOM 1462 CG2 VAL A 110 12.280 17.324 3.230 1.00 0.00 C ATOM 0 H VAL A 110 9.946 17.813 3.400 1.00 0.00 H new ATOM 0 HA VAL A 110 10.468 18.843 0.737 1.00 0.00 H new ATOM 0 HB VAL A 110 12.798 17.892 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.354 19.764 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.244 20.269 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.624 19.991 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.291 17.457 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.559 17.605 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.130 16.279 2.957 1.00 0.00 H new ATOM 1472 N LEU A 111 9.411 16.504 0.066 1.00 0.00 N ATOM 1473 CA LEU A 111 9.159 15.288 -0.693 1.00 0.00 C ATOM 1474 C LEU A 111 8.670 15.640 -2.098 1.00 0.00 C ATOM 1475 O LEU A 111 7.730 15.043 -2.624 1.00 0.00 O ATOM 1476 CB LEU A 111 8.130 14.418 0.038 1.00 0.00 C ATOM 1477 CG LEU A 111 7.956 12.998 -0.511 1.00 0.00 C ATOM 1478 CD1 LEU A 111 9.266 12.229 -0.430 1.00 0.00 C ATOM 1479 CD2 LEU A 111 6.863 12.269 0.253 1.00 0.00 C ATOM 0 H LEU A 111 8.636 17.167 0.067 1.00 0.00 H new ATOM 0 HA LEU A 111 10.087 14.723 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.418 14.350 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.164 14.922 0.004 1.00 0.00 H new ATOM 0 HG LEU A 111 7.663 13.065 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.122 11.223 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.027 12.744 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.589 12.169 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.750 11.261 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.132 12.213 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.922 12.810 0.147 1.00 0.00 H new ATOM 1490 N LYS A 112 9.323 16.620 -2.707 1.00 0.00 N ATOM 1491 CA LYS A 112 8.951 17.064 -4.043 1.00 0.00 C ATOM 1492 C LYS A 112 10.141 17.002 -4.989 1.00 0.00 C ATOM 1493 O LYS A 112 10.189 17.734 -5.980 1.00 0.00 O ATOM 1494 CB LYS A 112 8.413 18.499 -4.008 1.00 0.00 C ATOM 1495 CG LYS A 112 9.450 19.527 -3.578 1.00 0.00 C ATOM 1496 CD LYS A 112 9.275 20.836 -4.330 1.00 0.00 C ATOM 1497 CE LYS A 112 10.438 21.786 -4.088 1.00 0.00 C ATOM 1498 NZ LYS A 112 10.391 22.956 -5.003 1.00 0.00 N ATOM 0 H LYS A 112 10.111 17.122 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 112 8.171 16.394 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.040 18.763 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.564 18.544 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.364 19.707 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.451 19.134 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.187 20.633 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.345 21.313 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.417 22.131 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.378 21.253 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.199 23.581 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.436 22.628 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.505 23.479 -4.853 1.00 0.00 H new ATOM 1508 N SER A 113 11.071 16.101 -4.695 1.00 0.00 N ATOM 1509 CA SER A 113 12.288 15.930 -5.473 1.00 0.00 C ATOM 1510 C SER A 113 12.943 17.287 -5.765 1.00 0.00 C ATOM 1511 O SER A 113 13.277 18.016 -4.829 1.00 0.00 O ATOM 1512 CB SER A 113 11.990 15.141 -6.750 1.00 0.00 C ATOM 1513 OG SER A 113 11.060 15.813 -7.589 1.00 0.00 O ATOM 0 H SER A 113 10.999 15.464 -3.902 1.00 0.00 H new ATOM 0 HA SER A 113 13.006 15.352 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.918 14.975 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.596 14.160 -6.486 1.00 0.00 H new ATOM 0 HG SER A 113 10.912 16.721 -7.252 1.00 0.00 H new ATOM 1518 N SER A 114 13.129 17.610 -7.048 1.00 0.00 N ATOM 1519 CA SER A 114 13.707 18.881 -7.468 1.00 0.00 C ATOM 1520 C SER A 114 15.200 18.877 -7.197 1.00 0.00 C ATOM 1521 O SER A 114 15.649 19.021 -6.057 1.00 0.00 O ATOM 1522 CB SER A 114 13.018 20.065 -6.767 1.00 0.00 C ATOM 1523 OG SER A 114 13.448 21.308 -7.296 1.00 0.00 O ATOM 0 H SER A 114 12.881 16.994 -7.822 1.00 0.00 H new ATOM 0 HA SER A 114 13.545 19.003 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.937 19.976 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.232 20.030 -5.699 1.00 0.00 H new ATOM 0 HG SER A 114 12.990 22.038 -6.830 1.00 0.00 H new ATOM 1528 N SER A 115 15.966 18.680 -8.254 1.00 0.00 N ATOM 1529 CA SER A 115 17.407 18.633 -8.153 1.00 0.00 C ATOM 1530 C SER A 115 17.956 19.971 -7.672 1.00 0.00 C ATOM 1531 O SER A 115 18.851 20.031 -6.825 1.00 0.00 O ATOM 1532 CB SER A 115 17.999 18.289 -9.515 1.00 0.00 C ATOM 1533 OG SER A 115 17.402 17.111 -10.038 1.00 0.00 O ATOM 0 H SER A 115 15.607 18.549 -9.200 1.00 0.00 H new ATOM 0 HA SER A 115 17.685 17.867 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 115 17.844 19.119 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.076 18.147 -9.424 1.00 0.00 H new ATOM 0 HG SER A 115 17.793 16.907 -10.913 1.00 0.00 H new ATOM 1538 N GLU A 116 17.410 21.035 -8.231 1.00 0.00 N ATOM 1539 CA GLU A 116 17.814 22.386 -7.889 1.00 0.00 C ATOM 1540 C GLU A 116 16.892 22.950 -6.811 1.00 0.00 C ATOM 1541 O GLU A 116 17.226 22.839 -5.613 1.00 0.00 O ATOM 1542 CB GLU A 116 17.758 23.266 -9.139 1.00 0.00 C ATOM 1543 CG GLU A 116 18.769 22.900 -10.212 1.00 0.00 C ATOM 1544 CD GLU A 116 20.199 23.184 -9.803 1.00 0.00 C ATOM 1545 OE1 GLU A 116 20.604 24.366 -9.824 1.00 0.00 O ATOM 1546 OE2 GLU A 116 20.932 22.227 -9.477 1.00 0.00 O ATOM 0 H GLU A 116 16.674 20.987 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 116 18.834 22.371 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.757 23.206 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.918 24.303 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.669 21.841 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.541 23.455 -11.122 1.00 0.00 H new TER 1551 GLU A 116