USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 752 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 98 LYS NZ :NH3+ 174:sc= 2.41 (180deg=1.1) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 87 THR OG1 : rot 90:sc= 1.25 USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 1.01 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 165:sc= 2.31 (180deg=-0.67!) USER MOD Set 3.2: A 77 SER OG : rot 140:sc= 1.23 USER MOD Set 3.3: A 79 MET CE :methyl 170:sc= -0.256 (180deg=-0.263) USER MOD Set 4.1: A 59 SER OG : rot -12:sc= 1.02 USER MOD Set 4.2: A 60 GLN : amide:sc= -0.876 X(o=0.14,f=0.4) USER MOD Set 5.1: A 29 MET CE :methyl -163:sc= -0.195 (180deg=-1.12) USER MOD Set 5.2: A 30 MET CE :methyl 158:sc= -0.717 (180deg=-1.35) USER MOD Set 5.3: A 44 ASN : amide:sc= 1.21 K(o=0.3,f=-3.6) USER MOD Set 6.1: A 21 SER OG : rot 94:sc= 1.19 USER MOD Set 6.2: A 24 ASN : amide:sc= 1.13 K(o=2.3,f=0.78) USER MOD Set 7.1: A 22 SER OG : rot 121:sc= 0.472 USER MOD Set 7.2: A 23 SER OG : rot 180:sc= 0.00179 USER MOD Set 8.1: A 18 SER OG : rot 180:sc= -0.0353 USER MOD Set 8.2: A 48 HIS : +bothHN:sc= 1.22 K(o=1.2,f=-9.7!) USER MOD Set 9.1: A 1 LYS N :NH3+ -151:sc= 1.2 (180deg=0) USER MOD Set 9.2: A 3 SER OG : rot 93:sc= 1.02 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.08) USER MOD Single : A 11 GLN : amide:sc= 0.734 K(o=0.73,f=-0.46!) USER MOD Single : A 12 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-4.4!) USER MOD Single : A 13 MET CE :methyl 176:sc= -1.26 (180deg=-1.33) USER MOD Single : A 15 SER OG : rot 55:sc= 0.292 USER MOD Single : A 17 ASN : amide:sc= 0.019 K(o=0.019,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 60:sc= 0.677 USER MOD Single : A 27 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -132:sc= 0.803 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -177:sc= -0.103 (180deg=-0.126) USER MOD Single : A 36 THR OG1 : rot 51:sc= 0.109 USER MOD Single : A 37 GLN : amide:sc= 0.696 K(o=0.7,f=-0.85) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc=-0.00701 (180deg=-0.102) USER MOD Single : A 45 THR OG1 : rot -42:sc= 1.28 USER MOD Single : A 50 SER OG : rot 89:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 0.88 (180deg=-1.53!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.178 (180deg=-0.961) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.432 K(o=0.43,f=-0.087) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 1.1 K(o=1.1,f=-5.2!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 75 SER OG : rot 86:sc= 1.59 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 90 SER OG : rot 163:sc= 1.35 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0458 USER MOD Single : A 94 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 97 TYR OH : rot -59:sc= 1.71 USER MOD Single : A 99 THR OG1 : rot 71:sc= 0.194 USER MOD Single : A 101 GLN : amide:sc= 0.347 K(o=0.35,f=-0.57) USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 105 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-3.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -13:sc= 0.649 USER MOD Single : A 119 HIS : no HE2:sc= 0.859 K(o=0.86,f=-3.2!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.480 13.955 14.949 1.00 0.00 N ATOM 2 CA LYS A 1 4.632 12.576 15.454 1.00 0.00 C ATOM 3 C LYS A 1 3.785 11.659 14.577 1.00 0.00 C ATOM 4 O LYS A 1 4.344 10.992 13.709 1.00 0.00 O ATOM 5 CB LYS A 1 4.358 12.463 16.965 1.00 0.00 C ATOM 6 CG LYS A 1 4.674 11.053 17.496 1.00 0.00 C ATOM 7 CD LYS A 1 4.671 10.969 19.033 1.00 0.00 C ATOM 8 CE LYS A 1 5.934 11.588 19.663 1.00 0.00 C ATOM 9 NZ LYS A 1 5.975 11.414 21.134 1.00 0.00 N ATOM 0 H1 LYS A 1 5.344 14.497 15.153 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.320 13.933 13.922 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.669 14.408 15.416 1.00 0.00 H new ATOM 0 HA LYS A 1 5.670 12.254 15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.960 13.197 17.500 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.313 12.702 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.942 10.350 17.099 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.650 10.742 17.123 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.789 11.480 19.419 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.593 9.925 19.336 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.819 11.130 19.221 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.972 12.651 19.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.842 11.847 21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.145 11.873 21.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.966 10.400 21.364 1.00 0.00 H new ATOM 18 N GLU A 2 2.452 11.698 14.704 1.00 0.00 N ATOM 19 CA GLU A 2 1.603 11.115 13.669 1.00 0.00 C ATOM 20 C GLU A 2 1.594 12.130 12.524 1.00 0.00 C ATOM 21 O GLU A 2 0.583 12.758 12.220 1.00 0.00 O ATOM 22 CB GLU A 2 0.194 10.827 14.211 1.00 0.00 C ATOM 23 CG GLU A 2 -0.600 9.921 13.251 1.00 0.00 C ATOM 24 CD GLU A 2 -1.948 9.517 13.834 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.986 9.189 15.035 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.911 9.532 13.035 1.00 0.00 O ATOM 0 H GLU A 2 1.954 12.115 15.490 1.00 0.00 H new ATOM 0 HA GLU A 2 1.979 10.152 13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.268 10.349 15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.341 11.765 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.755 10.441 12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.017 9.027 13.031 1.00 0.00 H new ATOM 31 N SER A 3 2.750 12.304 11.885 1.00 0.00 N ATOM 32 CA SER A 3 2.997 13.370 10.932 1.00 0.00 C ATOM 33 C SER A 3 2.498 12.924 9.559 1.00 0.00 C ATOM 34 O SER A 3 3.236 12.987 8.580 1.00 0.00 O ATOM 35 CB SER A 3 4.495 13.696 10.938 1.00 0.00 C ATOM 36 OG SER A 3 4.984 13.912 12.260 1.00 0.00 O ATOM 0 H SER A 3 3.554 11.692 12.023 1.00 0.00 H new ATOM 0 HA SER A 3 2.460 14.280 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.047 12.878 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.676 14.585 10.334 1.00 0.00 H new ATOM 0 HG SER A 3 5.334 13.071 12.621 1.00 0.00 H new ATOM 41 N ALA A 4 1.260 12.415 9.521 1.00 0.00 N ATOM 42 CA ALA A 4 0.640 11.710 8.409 1.00 0.00 C ATOM 43 C ALA A 4 1.381 10.412 8.076 1.00 0.00 C ATOM 44 O ALA A 4 0.797 9.340 8.227 1.00 0.00 O ATOM 45 CB ALA A 4 0.453 12.629 7.209 1.00 0.00 C ATOM 0 H ALA A 4 0.631 12.493 10.320 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.360 11.405 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.012 12.074 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.186 13.467 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.423 13.005 6.884 1.00 0.00 H new ATOM 51 N ALA A 5 2.648 10.514 7.660 1.00 0.00 N ATOM 52 CA ALA A 5 3.532 9.421 7.278 1.00 0.00 C ATOM 53 C ALA A 5 3.323 8.178 8.134 1.00 0.00 C ATOM 54 O ALA A 5 2.869 7.157 7.629 1.00 0.00 O ATOM 55 CB ALA A 5 4.989 9.887 7.337 1.00 0.00 C ATOM 0 H ALA A 5 3.107 11.421 7.578 1.00 0.00 H new ATOM 0 HA ALA A 5 3.286 9.138 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.646 9.066 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.132 10.722 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.228 10.206 8.352 1.00 0.00 H new ATOM 61 N ALA A 6 3.615 8.279 9.433 1.00 0.00 N ATOM 62 CA ALA A 6 3.520 7.159 10.356 1.00 0.00 C ATOM 63 C ALA A 6 2.149 6.480 10.276 1.00 0.00 C ATOM 64 O ALA A 6 2.061 5.259 10.186 1.00 0.00 O ATOM 65 CB ALA A 6 3.811 7.644 11.779 1.00 0.00 C ATOM 0 H ALA A 6 3.925 9.147 9.870 1.00 0.00 H new ATOM 0 HA ALA A 6 4.262 6.412 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.740 6.805 12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.815 8.065 11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.085 8.408 12.059 1.00 0.00 H new ATOM 71 N LYS A 7 1.067 7.259 10.308 1.00 0.00 N ATOM 72 CA LYS A 7 -0.273 6.697 10.283 1.00 0.00 C ATOM 73 C LYS A 7 -0.544 6.042 8.930 1.00 0.00 C ATOM 74 O LYS A 7 -0.966 4.888 8.905 1.00 0.00 O ATOM 75 CB LYS A 7 -1.298 7.777 10.663 1.00 0.00 C ATOM 76 CG LYS A 7 -2.760 7.474 10.297 1.00 0.00 C ATOM 77 CD LYS A 7 -3.246 8.357 9.131 1.00 0.00 C ATOM 78 CE LYS A 7 -3.983 9.620 9.610 1.00 0.00 C ATOM 79 NZ LYS A 7 -3.218 10.398 10.606 1.00 0.00 N ATOM 0 H LYS A 7 1.098 8.278 10.351 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.366 5.906 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.240 7.943 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.009 8.711 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.857 6.423 10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.395 7.637 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.391 8.649 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.909 7.775 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.199 10.255 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.941 9.332 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.781 11.216 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.004 9.796 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.329 10.730 10.179 1.00 0.00 H new ATOM 89 N PHE A 8 -0.311 6.767 7.829 1.00 0.00 N ATOM 90 CA PHE A 8 -0.398 6.239 6.466 1.00 0.00 C ATOM 91 C PHE A 8 0.282 4.867 6.420 1.00 0.00 C ATOM 92 O PHE A 8 -0.360 3.859 6.114 1.00 0.00 O ATOM 93 CB PHE A 8 0.226 7.232 5.464 1.00 0.00 C ATOM 94 CG PHE A 8 0.959 6.601 4.293 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.274 5.830 3.332 1.00 0.00 C ATOM 96 CD2 PHE A 8 2.364 6.654 4.269 1.00 0.00 C ATOM 97 CE1 PHE A 8 0.989 5.160 2.318 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.080 5.951 3.297 1.00 0.00 C ATOM 99 CZ PHE A 8 2.402 5.224 2.310 1.00 0.00 C ATOM 0 H PHE A 8 -0.053 7.753 7.863 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.442 6.114 6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.564 7.873 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.922 7.876 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.802 5.752 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.892 7.241 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.463 4.604 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.160 5.968 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.960 4.711 1.541 1.00 0.00 H new ATOM 108 N GLU A 9 1.568 4.838 6.779 1.00 0.00 N ATOM 109 CA GLU A 9 2.355 3.630 6.867 1.00 0.00 C ATOM 110 C GLU A 9 1.619 2.579 7.663 1.00 0.00 C ATOM 111 O GLU A 9 1.406 1.485 7.162 1.00 0.00 O ATOM 112 CB GLU A 9 3.710 3.908 7.512 1.00 0.00 C ATOM 113 CG GLU A 9 4.647 4.442 6.434 1.00 0.00 C ATOM 114 CD GLU A 9 6.038 4.705 6.966 1.00 0.00 C ATOM 115 OE1 GLU A 9 6.172 5.295 8.063 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.011 4.285 6.301 1.00 0.00 O ATOM 0 H GLU A 9 2.092 5.679 7.020 1.00 0.00 H new ATOM 0 HA GLU A 9 2.520 3.263 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.606 4.633 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.116 2.997 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.703 3.725 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.237 5.364 6.023 1.00 0.00 H new ATOM 121 N ARG A 10 1.198 2.880 8.886 1.00 0.00 N ATOM 122 CA ARG A 10 0.602 1.830 9.683 1.00 0.00 C ATOM 123 C ARG A 10 -0.696 1.265 9.081 1.00 0.00 C ATOM 124 O ARG A 10 -1.130 0.209 9.531 1.00 0.00 O ATOM 125 CB ARG A 10 0.403 2.273 11.138 1.00 0.00 C ATOM 126 CG ARG A 10 1.713 2.501 11.902 1.00 0.00 C ATOM 127 CD ARG A 10 2.579 1.242 12.030 1.00 0.00 C ATOM 128 NE ARG A 10 3.731 1.518 12.895 1.00 0.00 N ATOM 129 CZ ARG A 10 4.725 0.647 13.141 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.709 -0.561 12.564 1.00 0.00 N ATOM 131 NH2 ARG A 10 5.726 0.985 13.960 1.00 0.00 N ATOM 0 H ARG A 10 1.256 3.798 9.326 1.00 0.00 H new ATOM 0 HA ARG A 10 1.316 1.007 9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.179 3.195 11.151 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.184 1.518 11.660 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.288 3.277 11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.481 2.875 12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.989 0.424 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.920 0.922 11.045 1.00 0.00 H new ATOM 0 HE ARG A 10 3.781 2.434 13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.944 -0.818 11.940 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.462 -1.224 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.737 1.905 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.479 0.323 14.145 1.00 0.00 H new ATOM 142 N GLN A 11 -1.316 1.920 8.085 1.00 0.00 N ATOM 143 CA GLN A 11 -2.469 1.354 7.385 1.00 0.00 C ATOM 144 C GLN A 11 -2.068 0.597 6.110 1.00 0.00 C ATOM 145 O GLN A 11 -2.939 0.012 5.470 1.00 0.00 O ATOM 146 CB GLN A 11 -3.485 2.443 6.997 1.00 0.00 C ATOM 147 CG GLN A 11 -3.810 3.517 8.044 1.00 0.00 C ATOM 148 CD GLN A 11 -3.866 3.012 9.483 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.820 2.354 9.881 1.00 0.00 O ATOM 150 NE2 GLN A 11 -2.870 3.355 10.292 1.00 0.00 N ATOM 0 H GLN A 11 -1.034 2.841 7.751 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.922 0.654 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.114 2.946 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.417 1.950 6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.060 4.306 7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.770 3.969 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.088 3.903 9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.887 3.070 11.271 1.00 0.00 H new ATOM 157 N HIS A 12 -0.799 0.653 5.692 1.00 0.00 N ATOM 158 CA HIS A 12 -0.342 0.224 4.369 1.00 0.00 C ATOM 159 C HIS A 12 1.021 -0.485 4.410 1.00 0.00 C ATOM 160 O HIS A 12 1.191 -1.577 3.873 1.00 0.00 O ATOM 161 CB HIS A 12 -0.278 1.482 3.490 1.00 0.00 C ATOM 162 CG HIS A 12 0.325 1.264 2.126 1.00 0.00 C ATOM 163 ND1 HIS A 12 1.676 1.288 1.828 1.00 0.00 N ATOM 164 CD2 HIS A 12 -0.368 1.027 0.971 1.00 0.00 C ATOM 165 CE1 HIS A 12 1.799 1.062 0.506 1.00 0.00 C ATOM 166 NE2 HIS A 12 0.576 0.889 -0.030 1.00 0.00 N ATOM 0 H HIS A 12 -0.044 1.007 6.280 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.038 -0.511 3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.287 1.876 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 12 0.301 2.244 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.440 0.961 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.731 1.025 -0.038 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.379 0.689 -1.011 1.00 0.00 H new ATOM 174 N MET A 13 2.033 0.178 4.964 1.00 0.00 N ATOM 175 CA MET A 13 3.361 -0.371 5.154 1.00 0.00 C ATOM 176 C MET A 13 3.360 -1.239 6.420 1.00 0.00 C ATOM 177 O MET A 13 3.447 -0.725 7.534 1.00 0.00 O ATOM 178 CB MET A 13 4.374 0.782 5.205 1.00 0.00 C ATOM 179 CG MET A 13 5.739 0.330 4.685 1.00 0.00 C ATOM 180 SD MET A 13 6.490 -1.083 5.523 1.00 0.00 S ATOM 181 CE MET A 13 7.842 -1.415 4.377 1.00 0.00 C ATOM 0 H MET A 13 1.943 1.137 5.300 1.00 0.00 H new ATOM 0 HA MET A 13 3.654 -1.015 4.325 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.011 1.618 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.471 1.142 6.229 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.638 0.086 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.427 1.173 4.753 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.464 -2.219 4.771 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.435 -1.711 3.410 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.446 -0.516 4.256 1.00 0.00 H new ATOM 189 N ASP A 14 3.245 -2.556 6.238 1.00 0.00 N ATOM 190 CA ASP A 14 3.055 -3.532 7.297 1.00 0.00 C ATOM 191 C ASP A 14 4.220 -4.516 7.268 1.00 0.00 C ATOM 192 O ASP A 14 4.110 -5.641 6.778 1.00 0.00 O ATOM 193 CB ASP A 14 1.699 -4.204 7.084 1.00 0.00 C ATOM 194 CG ASP A 14 1.423 -5.286 8.117 1.00 0.00 C ATOM 195 OD1 ASP A 14 1.935 -5.156 9.248 1.00 0.00 O ATOM 196 OD2 ASP A 14 0.714 -6.244 7.732 1.00 0.00 O ATOM 0 H ASP A 14 3.284 -2.981 5.312 1.00 0.00 H new ATOM 0 HA ASP A 14 3.047 -3.072 8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.912 -3.452 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.665 -4.640 6.086 1.00 0.00 H new ATOM 200 N SER A 15 5.373 -4.049 7.748 1.00 0.00 N ATOM 201 CA SER A 15 6.648 -4.724 7.622 1.00 0.00 C ATOM 202 C SER A 15 6.712 -5.984 8.486 1.00 0.00 C ATOM 203 O SER A 15 7.363 -5.984 9.530 1.00 0.00 O ATOM 204 CB SER A 15 7.743 -3.730 8.029 1.00 0.00 C ATOM 205 OG SER A 15 7.430 -3.188 9.299 1.00 0.00 O ATOM 0 H SER A 15 5.438 -3.163 8.249 1.00 0.00 H new ATOM 0 HA SER A 15 6.788 -5.050 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.711 -4.230 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.821 -2.933 7.289 1.00 0.00 H new ATOM 0 HG SER A 15 7.299 -3.916 9.942 1.00 0.00 H new ATOM 210 N GLY A 16 6.061 -7.050 8.031 1.00 0.00 N ATOM 211 CA GLY A 16 6.184 -8.397 8.555 1.00 0.00 C ATOM 212 C GLY A 16 6.391 -9.338 7.373 1.00 0.00 C ATOM 213 O GLY A 16 6.188 -8.943 6.225 1.00 0.00 O ATOM 0 H GLY A 16 5.405 -6.991 7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.023 -8.463 9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.289 -8.674 9.112 1.00 0.00 H new ATOM 216 N ASN A 17 6.777 -10.589 7.631 1.00 0.00 N ATOM 217 CA ASN A 17 6.878 -11.589 6.572 1.00 0.00 C ATOM 218 C ASN A 17 5.493 -11.848 5.962 1.00 0.00 C ATOM 219 O ASN A 17 4.483 -11.402 6.508 1.00 0.00 O ATOM 220 CB ASN A 17 7.501 -12.878 7.132 1.00 0.00 C ATOM 221 CG ASN A 17 7.865 -13.873 6.030 1.00 0.00 C ATOM 222 OD1 ASN A 17 8.034 -13.494 4.873 1.00 0.00 O ATOM 223 ND2 ASN A 17 7.967 -15.153 6.368 1.00 0.00 N ATOM 0 H ASN A 17 7.023 -10.930 8.560 1.00 0.00 H new ATOM 0 HA ASN A 17 7.527 -11.219 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.395 -12.628 7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.801 -13.346 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.191 -15.851 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.821 -15.438 7.337 1.00 0.00 H new ATOM 229 N SER A 18 5.428 -12.555 4.834 1.00 0.00 N ATOM 230 CA SER A 18 4.179 -13.028 4.251 1.00 0.00 C ATOM 231 C SER A 18 4.336 -14.516 3.927 1.00 0.00 C ATOM 232 O SER A 18 4.673 -14.841 2.792 1.00 0.00 O ATOM 233 CB SER A 18 3.879 -12.226 2.981 1.00 0.00 C ATOM 234 OG SER A 18 3.731 -10.856 3.298 1.00 0.00 O ATOM 0 H SER A 18 6.253 -12.817 4.295 1.00 0.00 H new ATOM 0 HA SER A 18 3.350 -12.894 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.686 -12.356 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.969 -12.600 2.512 1.00 0.00 H new ATOM 0 HG SER A 18 3.541 -10.350 2.481 1.00 0.00 H new ATOM 239 N PRO A 19 4.112 -15.420 4.895 1.00 0.00 N ATOM 240 CA PRO A 19 4.370 -16.833 4.693 1.00 0.00 C ATOM 241 C PRO A 19 3.366 -17.475 3.736 1.00 0.00 C ATOM 242 O PRO A 19 3.765 -17.981 2.690 1.00 0.00 O ATOM 243 CB PRO A 19 4.410 -17.474 6.084 1.00 0.00 C ATOM 244 CG PRO A 19 3.668 -16.490 6.985 1.00 0.00 C ATOM 245 CD PRO A 19 3.847 -15.133 6.297 1.00 0.00 C ATOM 0 HA PRO A 19 5.326 -16.994 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.928 -18.452 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.435 -17.624 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.614 -16.753 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.084 -16.483 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.952 -14.520 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.671 -14.576 6.743 1.00 0.00 H new ATOM 250 N SER A 20 2.074 -17.478 4.083 1.00 0.00 N ATOM 251 CA SER A 20 1.091 -18.267 3.345 1.00 0.00 C ATOM 252 C SER A 20 -0.339 -18.099 3.875 1.00 0.00 C ATOM 253 O SER A 20 -0.915 -19.019 4.451 1.00 0.00 O ATOM 254 CB SER A 20 1.494 -19.754 3.346 1.00 0.00 C ATOM 255 OG SER A 20 1.976 -20.150 4.622 1.00 0.00 O ATOM 0 H SER A 20 1.690 -16.946 4.864 1.00 0.00 H new ATOM 0 HA SER A 20 1.088 -17.888 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.636 -20.367 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.263 -19.927 2.593 1.00 0.00 H new ATOM 0 HG SER A 20 2.224 -21.098 4.598 1.00 0.00 H new ATOM 260 N SER A 21 -0.954 -16.941 3.637 1.00 0.00 N ATOM 261 CA SER A 21 -2.388 -16.755 3.798 1.00 0.00 C ATOM 262 C SER A 21 -2.759 -15.454 3.095 1.00 0.00 C ATOM 263 O SER A 21 -1.950 -14.918 2.336 1.00 0.00 O ATOM 264 CB SER A 21 -2.849 -16.775 5.265 1.00 0.00 C ATOM 265 OG SER A 21 -4.260 -16.917 5.309 1.00 0.00 O ATOM 0 H SER A 21 -0.464 -16.102 3.325 1.00 0.00 H new ATOM 0 HA SER A 21 -2.911 -17.598 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.372 -17.598 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.548 -15.855 5.766 1.00 0.00 H new ATOM 0 HG SER A 21 -4.491 -17.865 5.399 1.00 0.00 H new ATOM 270 N SER A 22 -3.971 -14.953 3.333 1.00 0.00 N ATOM 271 CA SER A 22 -4.491 -13.833 2.572 1.00 0.00 C ATOM 272 C SER A 22 -5.607 -13.101 3.318 1.00 0.00 C ATOM 273 O SER A 22 -5.359 -12.094 3.981 1.00 0.00 O ATOM 274 CB SER A 22 -4.922 -14.351 1.189 1.00 0.00 C ATOM 275 OG SER A 22 -5.883 -15.382 1.333 1.00 0.00 O ATOM 0 H SER A 22 -4.606 -15.309 4.048 1.00 0.00 H new ATOM 0 HA SER A 22 -3.714 -13.081 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.339 -13.534 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.054 -14.725 0.646 1.00 0.00 H new ATOM 0 HG SER A 22 -6.710 -15.125 0.874 1.00 0.00 H new ATOM 280 N SER A 23 -6.834 -13.601 3.190 1.00 0.00 N ATOM 281 CA SER A 23 -8.033 -13.073 3.831 1.00 0.00 C ATOM 282 C SER A 23 -7.773 -12.787 5.311 1.00 0.00 C ATOM 283 O SER A 23 -8.147 -11.733 5.829 1.00 0.00 O ATOM 284 CB SER A 23 -9.156 -14.099 3.658 1.00 0.00 C ATOM 285 OG SER A 23 -8.642 -15.390 3.937 1.00 0.00 O ATOM 0 H SER A 23 -7.026 -14.419 2.612 1.00 0.00 H new ATOM 0 HA SER A 23 -8.322 -12.130 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.984 -13.869 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.549 -14.061 2.642 1.00 0.00 H new ATOM 0 HG SER A 23 -9.354 -16.055 3.831 1.00 0.00 H new ATOM 290 N ASN A 24 -7.105 -13.730 5.979 1.00 0.00 N ATOM 291 CA ASN A 24 -6.705 -13.580 7.368 1.00 0.00 C ATOM 292 C ASN A 24 -5.896 -12.307 7.568 1.00 0.00 C ATOM 293 O ASN A 24 -6.336 -11.422 8.295 1.00 0.00 O ATOM 294 CB ASN A 24 -5.932 -14.802 7.872 1.00 0.00 C ATOM 295 CG ASN A 24 -6.798 -16.055 7.899 1.00 0.00 C ATOM 296 OD1 ASN A 24 -7.758 -16.137 8.656 1.00 0.00 O ATOM 297 ND2 ASN A 24 -6.472 -17.039 7.068 1.00 0.00 N ATOM 0 H ASN A 24 -6.828 -14.620 5.565 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.616 -13.503 7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.067 -14.973 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.552 -14.602 8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.027 -17.894 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.666 -16.939 6.450 1.00 0.00 H new ATOM 303 N TYR A 25 -4.732 -12.202 6.918 1.00 0.00 N ATOM 304 CA TYR A 25 -3.868 -11.034 7.042 1.00 0.00 C ATOM 305 C TYR A 25 -4.675 -9.761 6.788 1.00 0.00 C ATOM 306 O TYR A 25 -4.583 -8.797 7.547 1.00 0.00 O ATOM 307 CB TYR A 25 -2.703 -11.100 6.038 1.00 0.00 C ATOM 308 CG TYR A 25 -1.837 -12.348 6.019 1.00 0.00 C ATOM 309 CD1 TYR A 25 -1.640 -13.128 7.174 1.00 0.00 C ATOM 310 CD2 TYR A 25 -1.128 -12.662 4.843 1.00 0.00 C ATOM 311 CE1 TYR A 25 -0.787 -14.246 7.133 1.00 0.00 C ATOM 312 CE2 TYR A 25 -0.253 -13.760 4.812 1.00 0.00 C ATOM 313 CZ TYR A 25 -0.100 -14.567 5.950 1.00 0.00 C ATOM 314 OH TYR A 25 0.640 -15.710 5.881 1.00 0.00 O ATOM 0 H TYR A 25 -4.368 -12.923 6.295 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.461 -11.022 8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.118 -10.968 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.052 -10.247 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.144 -12.868 8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.258 -12.054 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.660 -14.859 8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.302 -13.983 3.913 1.00 0.00 H new ATOM 0 HH TYR A 25 0.061 -16.485 6.037 1.00 0.00 H new ATOM 323 N CYS A 26 -5.471 -9.791 5.714 1.00 0.00 N ATOM 324 CA CYS A 26 -6.292 -8.674 5.263 1.00 0.00 C ATOM 325 C CYS A 26 -7.134 -8.148 6.426 1.00 0.00 C ATOM 326 O CYS A 26 -7.006 -6.995 6.841 1.00 0.00 O ATOM 327 CB CYS A 26 -7.212 -9.133 4.125 1.00 0.00 C ATOM 328 SG CYS A 26 -6.827 -8.652 2.427 1.00 0.00 S ATOM 0 H CYS A 26 -5.561 -10.617 5.122 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.643 -7.877 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.252 -10.222 4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.215 -8.770 4.349 1.00 0.00 H new ATOM 332 N ASN A 27 -8.012 -9.018 6.937 1.00 0.00 N ATOM 333 CA ASN A 27 -8.942 -8.662 7.999 1.00 0.00 C ATOM 334 C ASN A 27 -8.163 -8.266 9.249 1.00 0.00 C ATOM 335 O ASN A 27 -8.426 -7.220 9.845 1.00 0.00 O ATOM 336 CB ASN A 27 -9.880 -9.832 8.322 1.00 0.00 C ATOM 337 CG ASN A 27 -10.983 -9.981 7.280 1.00 0.00 C ATOM 338 OD1 ASN A 27 -12.044 -9.382 7.411 1.00 0.00 O ATOM 339 ND2 ASN A 27 -10.751 -10.770 6.237 1.00 0.00 N ATOM 0 H ASN A 27 -8.093 -9.985 6.623 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.547 -7.821 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.303 -10.756 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.327 -9.679 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.466 -10.890 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.858 -11.256 6.154 1.00 0.00 H new ATOM 345 N LEU A 28 -7.216 -9.123 9.644 1.00 0.00 N ATOM 346 CA LEU A 28 -6.421 -8.990 10.855 1.00 0.00 C ATOM 347 C LEU A 28 -5.819 -7.594 10.920 1.00 0.00 C ATOM 348 O LEU A 28 -6.054 -6.868 11.884 1.00 0.00 O ATOM 349 CB LEU A 28 -5.335 -10.082 10.890 1.00 0.00 C ATOM 350 CG LEU A 28 -4.596 -10.297 12.224 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.693 -9.129 12.636 1.00 0.00 C ATOM 352 CD2 LEU A 28 -5.553 -10.657 13.367 1.00 0.00 C ATOM 0 H LEU A 28 -6.979 -9.956 9.105 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.054 -9.124 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.797 -11.027 10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.593 -9.845 10.127 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.940 -11.147 12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.210 -9.360 13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.933 -8.969 11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.293 -8.226 12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.985 -10.799 14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.273 -9.851 13.506 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.082 -11.578 13.122 1.00 0.00 H new ATOM 363 N MET A 29 -5.052 -7.206 9.898 1.00 0.00 N ATOM 364 CA MET A 29 -4.388 -5.915 9.903 1.00 0.00 C ATOM 365 C MET A 29 -5.423 -4.793 9.983 1.00 0.00 C ATOM 366 O MET A 29 -5.308 -3.905 10.826 1.00 0.00 O ATOM 367 CB MET A 29 -3.506 -5.756 8.663 1.00 0.00 C ATOM 368 CG MET A 29 -2.466 -4.644 8.868 1.00 0.00 C ATOM 369 SD MET A 29 -1.729 -3.993 7.351 1.00 0.00 S ATOM 370 CE MET A 29 -3.065 -2.942 6.757 1.00 0.00 C ATOM 0 H MET A 29 -4.881 -7.769 9.065 1.00 0.00 H new ATOM 0 HA MET A 29 -3.745 -5.856 10.781 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.000 -6.697 8.449 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.127 -5.524 7.798 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.938 -3.822 9.406 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.669 -5.027 9.505 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.904 -2.709 5.704 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.016 -3.462 6.872 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.085 -2.018 7.334 1.00 0.00 H new ATOM 378 N MET A 30 -6.431 -4.810 9.104 1.00 0.00 N ATOM 379 CA MET A 30 -7.386 -3.710 9.049 1.00 0.00 C ATOM 380 C MET A 30 -8.066 -3.517 10.410 1.00 0.00 C ATOM 381 O MET A 30 -8.147 -2.392 10.905 1.00 0.00 O ATOM 382 CB MET A 30 -8.395 -3.910 7.912 1.00 0.00 C ATOM 383 CG MET A 30 -7.737 -3.827 6.525 1.00 0.00 C ATOM 384 SD MET A 30 -7.692 -2.211 5.688 1.00 0.00 S ATOM 385 CE MET A 30 -6.525 -1.263 6.689 1.00 0.00 C ATOM 0 H MET A 30 -6.601 -5.561 8.435 1.00 0.00 H new ATOM 0 HA MET A 30 -6.845 -2.790 8.827 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.878 -4.881 8.025 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.177 -3.154 7.986 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.710 -4.180 6.622 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.254 -4.527 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.119 -0.443 6.096 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.038 -0.860 7.562 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.712 -1.913 7.013 1.00 0.00 H new ATOM 393 N CYS A 31 -8.501 -4.626 11.021 1.00 0.00 N ATOM 394 CA CYS A 31 -9.071 -4.661 12.364 1.00 0.00 C ATOM 395 C CYS A 31 -8.087 -4.123 13.403 1.00 0.00 C ATOM 396 O CYS A 31 -8.398 -3.185 14.134 1.00 0.00 O ATOM 397 CB CYS A 31 -9.479 -6.096 12.705 1.00 0.00 C ATOM 398 SG CYS A 31 -10.128 -6.106 14.392 1.00 0.00 S ATOM 0 H CYS A 31 -8.463 -5.545 10.580 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.950 -4.017 12.384 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.233 -6.454 12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.623 -6.766 12.622 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.486 -7.314 14.712 1.00 0.00 H new ATOM 403 N CYS A 32 -6.889 -4.711 13.451 1.00 0.00 N ATOM 404 CA CYS A 32 -5.810 -4.328 14.355 1.00 0.00 C ATOM 405 C CYS A 32 -5.546 -2.827 14.303 1.00 0.00 C ATOM 406 O CYS A 32 -5.223 -2.215 15.322 1.00 0.00 O ATOM 407 CB CYS A 32 -4.535 -5.090 13.979 1.00 0.00 C ATOM 408 SG CYS A 32 -3.117 -4.410 14.873 1.00 0.00 S ATOM 0 H CYS A 32 -6.639 -5.490 12.842 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.110 -4.582 15.372 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.651 -6.148 14.216 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.364 -5.021 12.905 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.136 -4.211 14.044 1.00 0.00 H new ATOM 413 N ARG A 33 -5.606 -2.244 13.105 1.00 0.00 N ATOM 414 CA ARG A 33 -5.342 -0.832 12.910 1.00 0.00 C ATOM 415 C ARG A 33 -6.578 0.028 13.188 1.00 0.00 C ATOM 416 O ARG A 33 -6.556 0.766 14.172 1.00 0.00 O ATOM 417 CB ARG A 33 -4.681 -0.599 11.548 1.00 0.00 C ATOM 418 CG ARG A 33 -3.360 -1.375 11.370 1.00 0.00 C ATOM 419 CD ARG A 33 -2.231 -0.958 12.327 1.00 0.00 C ATOM 420 NE ARG A 33 -2.437 -1.499 13.685 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.171 -0.847 14.827 1.00 0.00 C ATOM 422 NH1 ARG A 33 -1.270 0.140 14.834 1.00 0.00 N ATOM 423 NH2 ARG A 33 -2.824 -1.172 15.946 1.00 0.00 N ATOM 0 H ARG A 33 -5.840 -2.744 12.247 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.619 -0.495 13.653 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.375 -0.892 10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.488 0.466 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.559 -2.438 11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.014 -1.245 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.276 -1.309 11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.177 0.130 12.373 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.812 -2.445 13.761 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.787 0.396 13.973 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.065 0.638 15.701 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.523 -1.915 15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.623 -0.678 16.815 1.00 0.00 H new ATOM 434 N LYS A 34 -7.628 -0.019 12.357 1.00 0.00 N ATOM 435 CA LYS A 34 -8.803 0.834 12.558 1.00 0.00 C ATOM 436 C LYS A 34 -9.867 0.704 11.470 1.00 0.00 C ATOM 437 O LYS A 34 -11.047 0.698 11.798 1.00 0.00 O ATOM 438 CB LYS A 34 -8.409 2.328 12.675 1.00 0.00 C ATOM 439 CG LYS A 34 -8.790 2.917 14.040 1.00 0.00 C ATOM 440 CD LYS A 34 -10.303 3.180 14.094 1.00 0.00 C ATOM 441 CE LYS A 34 -10.818 3.426 15.518 1.00 0.00 C ATOM 442 NZ LYS A 34 -10.144 4.551 16.196 1.00 0.00 N ATOM 0 H LYS A 34 -7.686 -0.634 11.546 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.236 0.476 13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.335 2.433 12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.901 2.896 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.503 2.229 14.835 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.245 3.845 14.210 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.538 4.045 13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.830 2.328 13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.889 3.623 15.481 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.681 2.520 16.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.536 4.665 17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.124 4.357 16.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.296 5.425 15.653 1.00 0.00 H new ATOM 452 N MET A 35 -9.479 0.708 10.192 1.00 0.00 N ATOM 453 CA MET A 35 -10.392 0.895 9.061 1.00 0.00 C ATOM 454 C MET A 35 -11.759 0.229 9.248 1.00 0.00 C ATOM 455 O MET A 35 -12.785 0.910 9.281 1.00 0.00 O ATOM 456 CB MET A 35 -9.729 0.412 7.767 1.00 0.00 C ATOM 457 CG MET A 35 -8.771 1.430 7.131 1.00 0.00 C ATOM 458 SD MET A 35 -7.309 1.966 8.055 1.00 0.00 S ATOM 459 CE MET A 35 -7.921 3.437 8.909 1.00 0.00 C ATOM 0 H MET A 35 -8.507 0.580 9.910 1.00 0.00 H new ATOM 0 HA MET A 35 -10.591 1.965 9.001 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.180 -0.506 7.975 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.507 0.162 7.045 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.426 1.010 6.186 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.352 2.321 6.890 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.108 3.896 9.471 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.304 4.149 8.178 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.721 3.154 9.593 1.00 0.00 H new ATOM 467 N THR A 36 -11.770 -1.092 9.413 1.00 0.00 N ATOM 468 CA THR A 36 -12.965 -1.921 9.502 1.00 0.00 C ATOM 469 C THR A 36 -13.924 -1.489 10.621 1.00 0.00 C ATOM 470 O THR A 36 -15.094 -1.857 10.594 1.00 0.00 O ATOM 471 CB THR A 36 -12.511 -3.373 9.704 1.00 0.00 C ATOM 472 OG1 THR A 36 -11.253 -3.378 10.350 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.336 -4.077 8.361 1.00 0.00 C ATOM 0 H THR A 36 -10.910 -1.634 9.491 1.00 0.00 H new ATOM 0 HA THR A 36 -13.533 -1.810 8.578 1.00 0.00 H new ATOM 0 HB THR A 36 -13.268 -3.887 10.297 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.293 -2.810 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.014 -5.105 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.284 -4.077 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.585 -3.553 7.771 1.00 0.00 H new ATOM 481 N GLN A 37 -13.446 -0.719 11.600 1.00 0.00 N ATOM 482 CA GLN A 37 -14.259 -0.145 12.661 1.00 0.00 C ATOM 483 C GLN A 37 -15.280 0.839 12.079 1.00 0.00 C ATOM 484 O GLN A 37 -16.396 0.930 12.586 1.00 0.00 O ATOM 485 CB GLN A 37 -13.313 0.543 13.661 1.00 0.00 C ATOM 486 CG GLN A 37 -13.781 0.594 15.120 1.00 0.00 C ATOM 487 CD GLN A 37 -14.542 1.864 15.496 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.024 2.694 16.236 1.00 0.00 O ATOM 489 NE2 GLN A 37 -15.761 2.048 15.004 1.00 0.00 N ATOM 0 H GLN A 37 -12.459 -0.474 11.674 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.826 -0.921 13.174 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.351 0.031 13.629 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.142 1.565 13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.419 -0.268 15.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.912 0.500 15.771 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -16.175 1.346 14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.284 2.891 15.240 1.00 0.00 H new ATOM 496 N GLY A 38 -14.868 1.616 11.070 1.00 0.00 N ATOM 497 CA GLY A 38 -15.637 2.729 10.521 1.00 0.00 C ATOM 498 C GLY A 38 -16.069 2.471 9.079 1.00 0.00 C ATOM 499 O GLY A 38 -17.218 2.723 8.720 1.00 0.00 O ATOM 0 H GLY A 38 -13.970 1.482 10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.519 2.900 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.038 3.639 10.563 1.00 0.00 H new ATOM 502 N LYS A 39 -15.136 2.015 8.243 1.00 0.00 N ATOM 503 CA LYS A 39 -15.372 1.603 6.867 1.00 0.00 C ATOM 504 C LYS A 39 -14.169 0.805 6.378 1.00 0.00 C ATOM 505 O LYS A 39 -13.027 1.251 6.489 1.00 0.00 O ATOM 506 CB LYS A 39 -15.697 2.764 5.910 1.00 0.00 C ATOM 507 CG LYS A 39 -14.907 4.062 6.143 1.00 0.00 C ATOM 508 CD LYS A 39 -15.867 5.165 6.618 1.00 0.00 C ATOM 509 CE LYS A 39 -15.141 6.493 6.864 1.00 0.00 C ATOM 510 NZ LYS A 39 -16.078 7.554 7.289 1.00 0.00 N ATOM 0 H LYS A 39 -14.159 1.920 8.520 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.267 0.982 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.517 2.429 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.761 2.989 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.127 3.898 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.410 4.369 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.648 5.312 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.360 4.846 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.376 6.354 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.629 6.803 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.553 8.438 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.793 7.703 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.548 7.269 8.172 1.00 0.00 H new ATOM 520 N CYS A 40 -14.443 -0.367 5.810 1.00 0.00 N ATOM 521 CA CYS A 40 -13.429 -1.262 5.286 1.00 0.00 C ATOM 522 C CYS A 40 -13.025 -0.758 3.894 1.00 0.00 C ATOM 523 O CYS A 40 -13.693 0.111 3.332 1.00 0.00 O ATOM 524 CB CYS A 40 -14.014 -2.676 5.265 1.00 0.00 C ATOM 525 SG CYS A 40 -15.139 -2.979 3.894 1.00 0.00 S ATOM 0 H CYS A 40 -15.393 -0.722 5.702 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.530 -1.286 5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.197 -3.396 5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.542 -2.854 6.202 1.00 0.00 H new ATOM 529 N LYS A 41 -11.864 -1.196 3.403 1.00 0.00 N ATOM 530 CA LYS A 41 -11.232 -0.623 2.215 1.00 0.00 C ATOM 531 C LYS A 41 -11.382 -1.521 0.984 1.00 0.00 C ATOM 532 O LYS A 41 -10.878 -2.640 1.007 1.00 0.00 O ATOM 533 CB LYS A 41 -9.752 -0.333 2.512 1.00 0.00 C ATOM 534 CG LYS A 41 -9.466 1.170 2.624 1.00 0.00 C ATOM 535 CD LYS A 41 -10.252 1.821 3.776 1.00 0.00 C ATOM 536 CE LYS A 41 -9.998 3.331 3.884 1.00 0.00 C ATOM 537 NZ LYS A 41 -8.566 3.663 4.031 1.00 0.00 N ATOM 0 H LYS A 41 -11.334 -1.961 3.821 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.743 0.310 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.467 -0.825 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.134 -0.761 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.398 1.325 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.726 1.660 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.318 1.645 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.976 1.342 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.391 3.825 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.547 3.727 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.463 4.681 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.164 3.123 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.061 3.419 3.155 1.00 0.00 H new ATOM 547 N PRO A 42 -11.958 -1.020 -0.125 1.00 0.00 N ATOM 548 CA PRO A 42 -12.156 -1.821 -1.322 1.00 0.00 C ATOM 549 C PRO A 42 -10.829 -2.328 -1.883 1.00 0.00 C ATOM 550 O PRO A 42 -10.782 -3.442 -2.404 1.00 0.00 O ATOM 551 CB PRO A 42 -12.943 -0.946 -2.300 1.00 0.00 C ATOM 552 CG PRO A 42 -12.658 0.480 -1.834 1.00 0.00 C ATOM 553 CD PRO A 42 -12.468 0.331 -0.325 1.00 0.00 C ATOM 0 HA PRO A 42 -12.720 -2.730 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.616 -1.103 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.009 -1.171 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.768 0.888 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.483 1.152 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.769 1.074 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.409 0.477 0.205 1.00 0.00 H new ATOM 558 N VAL A 43 -9.761 -1.528 -1.758 1.00 0.00 N ATOM 559 CA VAL A 43 -8.397 -1.911 -2.088 1.00 0.00 C ATOM 560 C VAL A 43 -7.442 -1.307 -1.054 1.00 0.00 C ATOM 561 O VAL A 43 -7.710 -0.223 -0.533 1.00 0.00 O ATOM 562 CB VAL A 43 -8.022 -1.458 -3.512 1.00 0.00 C ATOM 563 CG1 VAL A 43 -8.731 -2.299 -4.581 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.309 0.030 -3.763 1.00 0.00 C ATOM 0 H VAL A 43 -9.833 -0.571 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.316 -2.998 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.945 -1.610 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.441 -1.949 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.447 -3.345 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.810 -2.202 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.024 0.289 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.372 0.224 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.735 0.635 -3.061 1.00 0.00 H new ATOM 574 N ASN A 44 -6.333 -1.996 -0.763 1.00 0.00 N ATOM 575 CA ASN A 44 -5.264 -1.530 0.111 1.00 0.00 C ATOM 576 C ASN A 44 -4.025 -2.413 -0.061 1.00 0.00 C ATOM 577 O ASN A 44 -4.031 -3.575 0.334 1.00 0.00 O ATOM 578 CB ASN A 44 -5.715 -1.572 1.575 1.00 0.00 C ATOM 579 CG ASN A 44 -4.646 -1.004 2.505 1.00 0.00 C ATOM 580 OD1 ASN A 44 -3.675 -0.390 2.068 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.828 -1.191 3.805 1.00 0.00 N ATOM 0 H ASN A 44 -6.154 -2.925 -1.145 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.021 -0.502 -0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.638 -1.003 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.937 -2.601 1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.152 -0.821 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.644 -1.705 4.137 1.00 0.00 H new ATOM 587 N THR A 45 -2.949 -1.881 -0.635 1.00 0.00 N ATOM 588 CA THR A 45 -1.766 -2.672 -0.923 1.00 0.00 C ATOM 589 C THR A 45 -0.855 -2.806 0.306 1.00 0.00 C ATOM 590 O THR A 45 -0.166 -1.846 0.650 1.00 0.00 O ATOM 591 CB THR A 45 -1.068 -2.057 -2.137 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.035 -1.786 -3.132 1.00 0.00 O ATOM 593 CG2 THR A 45 0.004 -2.982 -2.707 1.00 0.00 C ATOM 0 H THR A 45 -2.877 -0.901 -0.909 1.00 0.00 H new ATOM 0 HA THR A 45 -2.046 -3.697 -1.167 1.00 0.00 H new ATOM 0 HB THR A 45 -0.575 -1.139 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.666 -2.534 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.475 -2.507 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.757 -3.179 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.453 -3.922 -3.017 1.00 0.00 H new ATOM 601 N PHE A 46 -0.816 -3.972 0.966 1.00 0.00 N ATOM 602 CA PHE A 46 -0.045 -4.126 2.199 1.00 0.00 C ATOM 603 C PHE A 46 1.412 -4.405 1.825 1.00 0.00 C ATOM 604 O PHE A 46 1.688 -5.455 1.251 1.00 0.00 O ATOM 605 CB PHE A 46 -0.530 -5.316 3.042 1.00 0.00 C ATOM 606 CG PHE A 46 -1.893 -5.300 3.704 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.921 -4.428 3.301 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.154 -6.266 4.693 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.187 -4.505 3.905 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.421 -6.348 5.287 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.437 -5.459 4.902 1.00 0.00 C ATOM 0 H PHE A 46 -1.307 -4.814 0.666 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.163 -3.211 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.497 -6.196 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.206 -5.469 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.737 -3.698 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.374 -6.948 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.971 -3.827 3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.616 -7.096 6.042 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.408 -5.510 5.372 1.00 0.00 H new ATOM 620 N VAL A 47 2.358 -3.525 2.162 1.00 0.00 N ATOM 621 CA VAL A 47 3.774 -3.780 1.887 1.00 0.00 C ATOM 622 C VAL A 47 4.361 -4.594 3.035 1.00 0.00 C ATOM 623 O VAL A 47 4.186 -4.207 4.188 1.00 0.00 O ATOM 624 CB VAL A 47 4.557 -2.473 1.689 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.979 -2.758 1.190 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.848 -1.535 0.708 1.00 0.00 C ATOM 0 H VAL A 47 2.171 -2.635 2.623 1.00 0.00 H new ATOM 0 HA VAL A 47 3.857 -4.342 0.957 1.00 0.00 H new ATOM 0 HB VAL A 47 4.610 -1.981 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.513 -1.817 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.504 -3.374 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.931 -3.286 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.431 -0.621 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.750 -2.027 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.858 -1.288 1.092 1.00 0.00 H new ATOM 636 N HIS A 48 5.034 -5.709 2.728 1.00 0.00 N ATOM 637 CA HIS A 48 5.564 -6.658 3.705 1.00 0.00 C ATOM 638 C HIS A 48 7.069 -6.840 3.485 1.00 0.00 C ATOM 639 O HIS A 48 7.542 -7.925 3.135 1.00 0.00 O ATOM 640 CB HIS A 48 4.769 -7.970 3.601 1.00 0.00 C ATOM 641 CG HIS A 48 3.598 -8.065 4.553 1.00 0.00 C ATOM 642 ND1 HIS A 48 3.458 -9.021 5.542 1.00 0.00 N ATOM 643 CD2 HIS A 48 2.601 -7.143 4.716 1.00 0.00 C ATOM 644 CE1 HIS A 48 2.418 -8.670 6.314 1.00 0.00 C ATOM 645 NE2 HIS A 48 1.882 -7.539 5.828 1.00 0.00 N ATOM 0 H HIS A 48 5.229 -5.981 1.764 1.00 0.00 H new ATOM 0 HA HIS A 48 5.445 -6.285 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.402 -8.079 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.443 -8.806 3.788 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.043 -9.848 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.413 -6.277 4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.070 -9.208 7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.075 -7.051 6.216 1.00 0.00 H new ATOM 653 N GLU A 49 7.813 -5.752 3.706 1.00 0.00 N ATOM 654 CA GLU A 49 9.260 -5.657 3.554 1.00 0.00 C ATOM 655 C GLU A 49 9.771 -4.622 4.576 1.00 0.00 C ATOM 656 O GLU A 49 9.080 -4.351 5.557 1.00 0.00 O ATOM 657 CB GLU A 49 9.578 -5.327 2.076 1.00 0.00 C ATOM 658 CG GLU A 49 10.715 -6.177 1.481 1.00 0.00 C ATOM 659 CD GLU A 49 12.078 -5.526 1.657 1.00 0.00 C ATOM 660 OE1 GLU A 49 12.538 -5.514 2.819 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.602 -4.998 0.657 1.00 0.00 O ATOM 0 H GLU A 49 7.397 -4.872 4.011 1.00 0.00 H new ATOM 0 HA GLU A 49 9.779 -6.591 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.678 -5.472 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.846 -4.273 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.719 -7.158 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.527 -6.339 0.420 1.00 0.00 H new ATOM 666 N SER A 50 10.956 -4.048 4.376 1.00 0.00 N ATOM 667 CA SER A 50 11.657 -3.203 5.335 1.00 0.00 C ATOM 668 C SER A 50 11.161 -1.747 5.344 1.00 0.00 C ATOM 669 O SER A 50 11.329 -1.010 4.371 1.00 0.00 O ATOM 670 CB SER A 50 13.150 -3.266 5.014 1.00 0.00 C ATOM 671 OG SER A 50 13.591 -4.608 5.065 1.00 0.00 O ATOM 0 H SER A 50 11.473 -4.165 3.505 1.00 0.00 H new ATOM 0 HA SER A 50 11.455 -3.582 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.337 -2.849 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.711 -2.661 5.726 1.00 0.00 H new ATOM 0 HG SER A 50 13.481 -5.022 4.184 1.00 0.00 H new ATOM 676 N LEU A 51 10.608 -1.306 6.482 1.00 0.00 N ATOM 677 CA LEU A 51 10.133 0.059 6.722 1.00 0.00 C ATOM 678 C LEU A 51 11.150 1.119 6.282 1.00 0.00 C ATOM 679 O LEU A 51 10.809 2.103 5.622 1.00 0.00 O ATOM 680 CB LEU A 51 9.787 0.196 8.213 1.00 0.00 C ATOM 681 CG LEU A 51 9.101 1.522 8.581 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.690 1.609 7.989 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.008 1.638 10.107 1.00 0.00 C ATOM 0 H LEU A 51 10.475 -1.915 7.290 1.00 0.00 H new ATOM 0 HA LEU A 51 9.244 0.235 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.136 -0.629 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.702 0.099 8.797 1.00 0.00 H new ATOM 0 HG LEU A 51 9.698 2.336 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.236 2.559 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.746 1.540 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.083 0.789 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.522 2.577 10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.426 0.805 10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.010 1.615 10.535 1.00 0.00 H new ATOM 694 N ALA A 52 12.415 0.923 6.657 1.00 0.00 N ATOM 695 CA ALA A 52 13.480 1.849 6.305 1.00 0.00 C ATOM 696 C ALA A 52 13.661 1.944 4.789 1.00 0.00 C ATOM 697 O ALA A 52 13.985 3.014 4.278 1.00 0.00 O ATOM 698 CB ALA A 52 14.782 1.420 6.984 1.00 0.00 C ATOM 0 H ALA A 52 12.724 0.123 7.209 1.00 0.00 H new ATOM 0 HA ALA A 52 13.204 2.842 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.578 2.116 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.646 1.421 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.052 0.417 6.653 1.00 0.00 H new ATOM 704 N ASP A 53 13.443 0.847 4.059 1.00 0.00 N ATOM 705 CA ASP A 53 13.641 0.837 2.618 1.00 0.00 C ATOM 706 C ASP A 53 12.530 1.655 1.963 1.00 0.00 C ATOM 707 O ASP A 53 12.780 2.428 1.041 1.00 0.00 O ATOM 708 CB ASP A 53 13.697 -0.605 2.109 1.00 0.00 C ATOM 709 CG ASP A 53 14.535 -0.733 0.848 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.169 -0.180 -0.214 1.00 0.00 O ATOM 711 OD2 ASP A 53 15.564 -1.440 0.909 1.00 0.00 O ATOM 0 H ASP A 53 13.130 -0.043 4.447 1.00 0.00 H new ATOM 0 HA ASP A 53 14.593 1.297 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.111 -1.248 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.685 -0.958 1.909 1.00 0.00 H new ATOM 715 N VAL A 54 11.310 1.552 2.505 1.00 0.00 N ATOM 716 CA VAL A 54 10.215 2.436 2.119 1.00 0.00 C ATOM 717 C VAL A 54 10.580 3.910 2.323 1.00 0.00 C ATOM 718 O VAL A 54 10.301 4.725 1.444 1.00 0.00 O ATOM 719 CB VAL A 54 8.885 2.026 2.771 1.00 0.00 C ATOM 720 CG1 VAL A 54 7.850 3.158 2.731 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.322 0.860 1.958 1.00 0.00 C ATOM 0 H VAL A 54 11.061 0.862 3.214 1.00 0.00 H new ATOM 0 HA VAL A 54 10.054 2.319 1.047 1.00 0.00 H new ATOM 0 HB VAL A 54 9.073 1.769 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.926 2.823 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.238 4.025 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.650 3.432 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.374 0.539 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.161 1.179 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.028 0.030 1.975 1.00 0.00 H new ATOM 731 N LYS A 55 11.211 4.284 3.442 1.00 0.00 N ATOM 732 CA LYS A 55 11.736 5.646 3.527 1.00 0.00 C ATOM 733 C LYS A 55 12.728 5.883 2.380 1.00 0.00 C ATOM 734 O LYS A 55 12.591 6.850 1.630 1.00 0.00 O ATOM 735 CB LYS A 55 12.398 5.952 4.875 1.00 0.00 C ATOM 736 CG LYS A 55 11.451 6.539 5.924 1.00 0.00 C ATOM 737 CD LYS A 55 10.553 5.449 6.509 1.00 0.00 C ATOM 738 CE LYS A 55 9.574 6.061 7.513 1.00 0.00 C ATOM 739 NZ LYS A 55 8.706 5.021 8.084 1.00 0.00 N ATOM 0 H LYS A 55 11.364 3.696 4.261 1.00 0.00 H new ATOM 0 HA LYS A 55 10.889 6.326 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.833 5.034 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.219 6.650 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.028 7.008 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.838 7.319 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.004 4.951 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.162 4.689 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.125 6.561 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.966 6.821 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.823 5.453 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.487 4.313 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.193 4.560 8.879 1.00 0.00 H new ATOM 749 N ALA A 56 13.714 4.988 2.256 1.00 0.00 N ATOM 750 CA ALA A 56 14.793 5.078 1.282 1.00 0.00 C ATOM 751 C ALA A 56 14.257 5.452 -0.103 1.00 0.00 C ATOM 752 O ALA A 56 14.561 6.545 -0.583 1.00 0.00 O ATOM 753 CB ALA A 56 15.630 3.791 1.281 1.00 0.00 C ATOM 0 H ALA A 56 13.780 4.161 2.849 1.00 0.00 H new ATOM 0 HA ALA A 56 15.465 5.886 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.431 3.878 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.060 3.636 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.994 2.944 1.025 1.00 0.00 H new ATOM 759 N VAL A 57 13.404 4.614 -0.710 1.00 0.00 N ATOM 760 CA VAL A 57 12.804 4.904 -2.017 1.00 0.00 C ATOM 761 C VAL A 57 12.310 6.348 -2.132 1.00 0.00 C ATOM 762 O VAL A 57 12.553 6.986 -3.155 1.00 0.00 O ATOM 763 CB VAL A 57 11.704 3.901 -2.420 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.648 3.634 -1.357 1.00 0.00 C ATOM 765 CG2 VAL A 57 10.933 4.375 -3.660 1.00 0.00 C ATOM 0 H VAL A 57 13.113 3.722 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 57 13.615 4.780 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 57 12.268 2.985 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.921 2.916 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.125 3.229 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.141 4.566 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.166 3.643 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.462 5.335 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.622 4.484 -4.497 1.00 0.00 H new ATOM 775 N CYS A 58 11.635 6.876 -1.107 1.00 0.00 N ATOM 776 CA CYS A 58 11.046 8.211 -1.193 1.00 0.00 C ATOM 777 C CYS A 58 12.134 9.262 -1.378 1.00 0.00 C ATOM 778 O CYS A 58 11.921 10.252 -2.064 1.00 0.00 O ATOM 779 CB CYS A 58 10.103 8.476 -0.008 1.00 0.00 C ATOM 780 SG CYS A 58 10.274 9.992 0.981 1.00 0.00 S ATOM 0 H CYS A 58 11.485 6.403 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 58 10.416 8.275 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.085 8.457 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.199 7.632 0.676 1.00 0.00 H new ATOM 784 N SER A 59 13.334 9.018 -0.859 1.00 0.00 N ATOM 785 CA SER A 59 14.464 9.910 -1.064 1.00 0.00 C ATOM 786 C SER A 59 15.316 9.529 -2.288 1.00 0.00 C ATOM 787 O SER A 59 16.435 10.029 -2.403 1.00 0.00 O ATOM 788 CB SER A 59 15.282 9.960 0.239 1.00 0.00 C ATOM 789 OG SER A 59 15.778 8.690 0.629 1.00 0.00 O ATOM 0 H SER A 59 13.547 8.200 -0.288 1.00 0.00 H new ATOM 0 HA SER A 59 14.093 10.908 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.118 10.647 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.659 10.362 1.038 1.00 0.00 H new ATOM 0 HG SER A 59 15.346 7.992 0.094 1.00 0.00 H new ATOM 794 N GLN A 60 14.857 8.633 -3.178 1.00 0.00 N ATOM 795 CA GLN A 60 15.694 8.057 -4.240 1.00 0.00 C ATOM 796 C GLN A 60 15.137 8.351 -5.646 1.00 0.00 C ATOM 797 O GLN A 60 15.356 9.439 -6.175 1.00 0.00 O ATOM 798 CB GLN A 60 15.948 6.556 -3.961 1.00 0.00 C ATOM 799 CG GLN A 60 17.299 6.250 -3.290 1.00 0.00 C ATOM 800 CD GLN A 60 17.295 6.450 -1.779 1.00 0.00 C ATOM 801 OE1 GLN A 60 17.210 5.479 -1.035 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.399 7.687 -1.311 1.00 0.00 N ATOM 0 H GLN A 60 13.897 8.289 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 60 16.667 8.548 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.147 6.177 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.893 6.010 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.578 5.220 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.065 6.889 -3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.468 8.473 -1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.410 7.852 -0.305 1.00 0.00 H new ATOM 809 N LYS A 61 14.451 7.397 -6.290 1.00 0.00 N ATOM 810 CA LYS A 61 14.087 7.480 -7.703 1.00 0.00 C ATOM 811 C LYS A 61 12.650 7.969 -7.924 1.00 0.00 C ATOM 812 O LYS A 61 11.738 7.159 -8.087 1.00 0.00 O ATOM 813 CB LYS A 61 14.334 6.120 -8.371 1.00 0.00 C ATOM 814 CG LYS A 61 15.830 5.875 -8.624 1.00 0.00 C ATOM 815 CD LYS A 61 16.252 6.168 -10.075 1.00 0.00 C ATOM 816 CE LYS A 61 16.012 7.627 -10.497 1.00 0.00 C ATOM 817 NZ LYS A 61 16.482 7.895 -11.873 1.00 0.00 N ATOM 0 H LYS A 61 14.132 6.540 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 61 14.722 8.232 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.937 5.326 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.793 6.075 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.414 6.500 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.068 4.839 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.310 5.933 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.702 5.508 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.948 7.853 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.525 8.293 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.300 8.890 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.503 7.705 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.974 7.279 -12.539 1.00 0.00 H new ATOM 827 N LYS A 62 12.470 9.293 -7.988 1.00 0.00 N ATOM 828 CA LYS A 62 11.217 9.937 -8.375 1.00 0.00 C ATOM 829 C LYS A 62 10.856 9.532 -9.809 1.00 0.00 C ATOM 830 O LYS A 62 11.592 9.886 -10.731 1.00 0.00 O ATOM 831 CB LYS A 62 11.352 11.467 -8.243 1.00 0.00 C ATOM 832 CG LYS A 62 10.020 12.184 -7.944 1.00 0.00 C ATOM 833 CD LYS A 62 8.957 12.208 -9.057 1.00 0.00 C ATOM 834 CE LYS A 62 9.131 13.305 -10.115 1.00 0.00 C ATOM 835 NZ LYS A 62 10.357 13.137 -10.919 1.00 0.00 N ATOM 0 H LYS A 62 13.210 9.959 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 62 10.414 9.612 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.062 11.693 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.770 11.867 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.576 11.715 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.247 13.215 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.960 11.240 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.976 12.325 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.265 13.305 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.156 14.277 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.246 13.629 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.167 13.539 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.524 12.125 -11.091 1.00 0.00 H new ATOM 845 N VAL A 63 9.721 8.855 -10.017 1.00 0.00 N ATOM 846 CA VAL A 63 9.249 8.466 -11.346 1.00 0.00 C ATOM 847 C VAL A 63 8.040 9.303 -11.747 1.00 0.00 C ATOM 848 O VAL A 63 7.327 9.829 -10.896 1.00 0.00 O ATOM 849 CB VAL A 63 8.935 6.959 -11.417 1.00 0.00 C ATOM 850 CG1 VAL A 63 10.224 6.147 -11.250 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.869 6.494 -10.411 1.00 0.00 C ATOM 0 H VAL A 63 9.102 8.561 -9.262 1.00 0.00 H new ATOM 0 HA VAL A 63 10.051 8.660 -12.059 1.00 0.00 H new ATOM 0 HB VAL A 63 8.506 6.781 -12.403 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.993 5.083 -11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.923 6.406 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.675 6.374 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.705 5.422 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.210 6.704 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.936 7.026 -10.598 1.00 0.00 H new ATOM 861 N THR A 64 7.814 9.443 -13.052 1.00 0.00 N ATOM 862 CA THR A 64 6.578 10.014 -13.550 1.00 0.00 C ATOM 863 C THR A 64 5.465 9.007 -13.271 1.00 0.00 C ATOM 864 O THR A 64 5.474 7.901 -13.808 1.00 0.00 O ATOM 865 CB THR A 64 6.707 10.326 -15.044 1.00 0.00 C ATOM 866 OG1 THR A 64 7.896 11.062 -15.257 1.00 0.00 O ATOM 867 CG2 THR A 64 5.502 11.149 -15.519 1.00 0.00 C ATOM 0 H THR A 64 8.475 9.167 -13.778 1.00 0.00 H new ATOM 0 HA THR A 64 6.348 10.956 -13.052 1.00 0.00 H new ATOM 0 HB THR A 64 6.739 9.393 -15.607 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.988 11.265 -16.211 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.605 11.365 -16.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.586 10.583 -15.351 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.458 12.085 -14.962 1.00 0.00 H new ATOM 875 N CYS A 65 4.537 9.384 -12.397 1.00 0.00 N ATOM 876 CA CYS A 65 3.405 8.558 -11.999 1.00 0.00 C ATOM 877 C CYS A 65 2.432 8.462 -13.174 1.00 0.00 C ATOM 878 O CYS A 65 2.622 9.128 -14.193 1.00 0.00 O ATOM 879 CB CYS A 65 2.733 9.172 -10.764 1.00 0.00 C ATOM 880 SG CYS A 65 3.884 9.838 -9.538 1.00 0.00 S ATOM 0 H CYS A 65 4.553 10.294 -11.936 1.00 0.00 H new ATOM 0 HA CYS A 65 3.735 7.553 -11.736 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.065 9.970 -11.088 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.114 8.412 -10.287 1.00 0.00 H new ATOM 884 N LYS A 66 1.364 7.670 -13.054 1.00 0.00 N ATOM 885 CA LYS A 66 0.404 7.492 -14.143 1.00 0.00 C ATOM 886 C LYS A 66 -0.588 8.663 -14.223 1.00 0.00 C ATOM 887 O LYS A 66 -1.797 8.447 -14.270 1.00 0.00 O ATOM 888 CB LYS A 66 -0.293 6.134 -14.019 1.00 0.00 C ATOM 889 CG LYS A 66 0.716 4.976 -14.062 1.00 0.00 C ATOM 890 CD LYS A 66 0.030 3.602 -14.083 1.00 0.00 C ATOM 891 CE LYS A 66 -0.706 3.342 -15.409 1.00 0.00 C ATOM 892 NZ LYS A 66 -1.250 1.971 -15.485 1.00 0.00 N ATOM 0 H LYS A 66 1.143 7.141 -12.210 1.00 0.00 H new ATOM 0 HA LYS A 66 0.947 7.496 -15.088 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.853 6.095 -13.085 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.015 6.019 -14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.345 5.079 -14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.373 5.038 -13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.775 2.823 -13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.679 3.539 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.519 4.060 -15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.021 3.506 -16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.737 1.841 -16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.473 1.284 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.924 1.821 -14.707 1.00 0.00 H new ATOM 902 N ASP A 67 -0.046 9.882 -14.270 1.00 0.00 N ATOM 903 CA ASP A 67 -0.704 11.183 -14.308 1.00 0.00 C ATOM 904 C ASP A 67 0.370 12.272 -14.179 1.00 0.00 C ATOM 905 O ASP A 67 0.373 13.249 -14.924 1.00 0.00 O ATOM 906 CB ASP A 67 -1.823 11.333 -13.255 1.00 0.00 C ATOM 907 CG ASP A 67 -1.452 11.107 -11.791 1.00 0.00 C ATOM 908 OD1 ASP A 67 -0.243 11.013 -11.481 1.00 0.00 O ATOM 909 OD2 ASP A 67 -2.397 11.118 -10.972 1.00 0.00 O ATOM 0 H ASP A 67 0.968 9.989 -14.284 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.218 11.286 -15.264 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.237 12.337 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.621 10.636 -13.511 1.00 0.00 H new ATOM 913 N GLY A 68 1.300 12.073 -13.245 1.00 0.00 N ATOM 914 CA GLY A 68 2.304 13.041 -12.836 1.00 0.00 C ATOM 915 C GLY A 68 1.738 13.990 -11.778 1.00 0.00 C ATOM 916 O GLY A 68 2.234 15.104 -11.618 1.00 0.00 O ATOM 0 H GLY A 68 1.373 11.193 -12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.176 12.522 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.640 13.612 -13.702 1.00 0.00 H new ATOM 919 N GLN A 69 0.702 13.556 -11.055 1.00 0.00 N ATOM 920 CA GLN A 69 0.001 14.361 -10.067 1.00 0.00 C ATOM 921 C GLN A 69 0.829 14.474 -8.788 1.00 0.00 C ATOM 922 O GLN A 69 1.023 15.566 -8.261 1.00 0.00 O ATOM 923 CB GLN A 69 -1.350 13.688 -9.805 1.00 0.00 C ATOM 924 CG GLN A 69 -2.256 14.425 -8.816 1.00 0.00 C ATOM 925 CD GLN A 69 -3.591 13.712 -8.581 1.00 0.00 C ATOM 926 OE1 GLN A 69 -4.411 14.202 -7.811 1.00 0.00 O ATOM 927 NE2 GLN A 69 -3.846 12.566 -9.208 1.00 0.00 N ATOM 0 H GLN A 69 0.324 12.613 -11.147 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.156 15.377 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.878 13.586 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.171 12.680 -9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.735 14.532 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.448 15.431 -9.188 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.156 12.169 -9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.731 12.085 -9.051 1.00 0.00 H new ATOM 934 N THR A 70 1.278 13.329 -8.269 1.00 0.00 N ATOM 935 CA THR A 70 2.037 13.238 -7.030 1.00 0.00 C ATOM 936 C THR A 70 3.527 13.083 -7.349 1.00 0.00 C ATOM 937 O THR A 70 3.905 12.612 -8.420 1.00 0.00 O ATOM 938 CB THR A 70 1.472 12.107 -6.149 1.00 0.00 C ATOM 939 OG1 THR A 70 2.276 11.938 -5.000 1.00 0.00 O ATOM 940 CG2 THR A 70 1.351 10.765 -6.876 1.00 0.00 C ATOM 0 H THR A 70 1.118 12.424 -8.711 1.00 0.00 H new ATOM 0 HA THR A 70 1.936 14.156 -6.451 1.00 0.00 H new ATOM 0 HB THR A 70 0.463 12.416 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.908 11.218 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.947 10.017 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.685 10.874 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.335 10.448 -7.220 1.00 0.00 H new ATOM 948 N ASN A 71 4.398 13.478 -6.420 1.00 0.00 N ATOM 949 CA ASN A 71 5.840 13.319 -6.542 1.00 0.00 C ATOM 950 C ASN A 71 6.222 11.905 -6.099 1.00 0.00 C ATOM 951 O ASN A 71 6.929 11.722 -5.109 1.00 0.00 O ATOM 952 CB ASN A 71 6.567 14.403 -5.730 1.00 0.00 C ATOM 953 CG ASN A 71 6.233 14.344 -4.241 1.00 0.00 C ATOM 954 OD1 ASN A 71 5.072 14.194 -3.871 1.00 0.00 O ATOM 955 ND2 ASN A 71 7.233 14.463 -3.376 1.00 0.00 N ATOM 0 H ASN A 71 4.112 13.924 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 71 6.148 13.445 -7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.643 14.290 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.299 15.385 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.047 14.431 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.187 14.587 -3.714 1.00 0.00 H new ATOM 961 N CYS A 72 5.736 10.897 -6.826 1.00 0.00 N ATOM 962 CA CYS A 72 5.956 9.501 -6.459 1.00 0.00 C ATOM 963 C CYS A 72 7.337 8.983 -6.872 1.00 0.00 C ATOM 964 O CYS A 72 7.954 9.473 -7.819 1.00 0.00 O ATOM 965 CB CYS A 72 4.850 8.568 -6.965 1.00 0.00 C ATOM 966 SG CYS A 72 4.903 8.214 -8.737 1.00 0.00 S ATOM 0 H CYS A 72 5.186 11.025 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 72 5.918 9.489 -5.370 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.911 7.626 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.883 9.012 -6.727 1.00 0.00 H new ATOM 970 N TYR A 73 7.834 7.994 -6.122 1.00 0.00 N ATOM 971 CA TYR A 73 9.142 7.376 -6.276 1.00 0.00 C ATOM 972 C TYR A 73 8.977 5.864 -6.403 1.00 0.00 C ATOM 973 O TYR A 73 8.218 5.280 -5.629 1.00 0.00 O ATOM 974 CB TYR A 73 10.028 7.687 -5.060 1.00 0.00 C ATOM 975 CG TYR A 73 10.544 9.109 -4.933 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.674 10.157 -4.609 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.921 9.368 -5.002 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.161 11.468 -4.466 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.416 10.679 -4.898 1.00 0.00 C ATOM 980 CZ TYR A 73 11.532 11.729 -4.605 1.00 0.00 C ATOM 981 OH TYR A 73 11.989 13.010 -4.517 1.00 0.00 O ATOM 0 H TYR A 73 7.302 7.587 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 73 9.616 7.776 -7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.463 7.449 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.886 7.015 -5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.622 9.957 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.611 8.548 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.478 12.276 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.468 10.877 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 73 12.962 13.019 -4.634 1.00 0.00 H new ATOM 990 N GLN A 74 9.698 5.253 -7.354 1.00 0.00 N ATOM 991 CA GLN A 74 9.709 3.809 -7.585 1.00 0.00 C ATOM 992 C GLN A 74 10.843 3.178 -6.788 1.00 0.00 C ATOM 993 O GLN A 74 11.983 3.638 -6.856 1.00 0.00 O ATOM 994 CB GLN A 74 9.882 3.480 -9.078 1.00 0.00 C ATOM 995 CG GLN A 74 9.931 1.965 -9.363 1.00 0.00 C ATOM 996 CD GLN A 74 9.932 1.647 -10.858 1.00 0.00 C ATOM 997 OE1 GLN A 74 10.691 2.250 -11.608 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.120 0.700 -11.331 1.00 0.00 N ATOM 0 H GLN A 74 10.302 5.765 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 74 8.751 3.404 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.059 3.923 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.800 3.942 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.825 1.542 -8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.073 1.483 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.492 0.204 -10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.127 0.472 -12.325 1.00 0.00 H new ATOM 1005 N SER A 75 10.538 2.117 -6.044 1.00 0.00 N ATOM 1006 CA SER A 75 11.545 1.428 -5.256 1.00 0.00 C ATOM 1007 C SER A 75 12.601 0.789 -6.154 1.00 0.00 C ATOM 1008 O SER A 75 12.284 0.287 -7.228 1.00 0.00 O ATOM 1009 CB SER A 75 10.858 0.435 -4.315 1.00 0.00 C ATOM 1010 OG SER A 75 10.254 -0.626 -5.029 1.00 0.00 O ATOM 0 H SER A 75 9.601 1.720 -5.973 1.00 0.00 H new ATOM 0 HA SER A 75 12.087 2.141 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.589 0.033 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.102 0.954 -3.726 1.00 0.00 H new ATOM 0 HG SER A 75 10.917 -1.328 -5.194 1.00 0.00 H new ATOM 1015 N LYS A 76 13.861 0.814 -5.708 1.00 0.00 N ATOM 1016 CA LYS A 76 14.971 0.180 -6.402 1.00 0.00 C ATOM 1017 C LYS A 76 14.677 -1.297 -6.686 1.00 0.00 C ATOM 1018 O LYS A 76 14.587 -1.726 -7.836 1.00 0.00 O ATOM 1019 CB LYS A 76 16.272 0.362 -5.597 1.00 0.00 C ATOM 1020 CG LYS A 76 16.172 0.175 -4.066 1.00 0.00 C ATOM 1021 CD LYS A 76 17.158 -0.906 -3.601 1.00 0.00 C ATOM 1022 CE LYS A 76 17.115 -1.168 -2.088 1.00 0.00 C ATOM 1023 NZ LYS A 76 15.804 -1.650 -1.614 1.00 0.00 N ATOM 0 H LYS A 76 14.135 1.282 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 76 15.102 0.666 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.010 -0.344 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.657 1.363 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.389 1.117 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.155 -0.107 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.941 -1.835 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.169 -0.609 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.878 -1.903 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.368 -0.249 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.905 -2.045 -0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.130 -0.858 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.452 -2.387 -2.258 1.00 0.00 H new ATOM 1033 N SER A 77 14.546 -2.078 -5.619 1.00 0.00 N ATOM 1034 CA SER A 77 14.252 -3.492 -5.654 1.00 0.00 C ATOM 1035 C SER A 77 12.741 -3.696 -5.773 1.00 0.00 C ATOM 1036 O SER A 77 11.961 -2.754 -5.613 1.00 0.00 O ATOM 1037 CB SER A 77 14.787 -4.069 -4.340 1.00 0.00 C ATOM 1038 OG SER A 77 14.388 -3.238 -3.262 1.00 0.00 O ATOM 0 H SER A 77 14.648 -1.720 -4.669 1.00 0.00 H new ATOM 0 HA SER A 77 14.714 -3.989 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.408 -5.080 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.874 -4.138 -4.377 1.00 0.00 H new ATOM 0 HG SER A 77 14.130 -3.795 -2.498 1.00 0.00 H new ATOM 1043 N THR A 78 12.333 -4.934 -6.042 1.00 0.00 N ATOM 1044 CA THR A 78 10.961 -5.370 -5.884 1.00 0.00 C ATOM 1045 C THR A 78 10.739 -5.620 -4.389 1.00 0.00 C ATOM 1046 O THR A 78 11.677 -5.987 -3.681 1.00 0.00 O ATOM 1047 CB THR A 78 10.775 -6.646 -6.715 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.931 -7.452 -6.585 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.618 -6.293 -8.197 1.00 0.00 C ATOM 0 H THR A 78 12.958 -5.666 -6.379 1.00 0.00 H new ATOM 0 HA THR A 78 10.237 -4.632 -6.230 1.00 0.00 H new ATOM 0 HB THR A 78 9.887 -7.170 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.820 -8.271 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.487 -7.207 -8.777 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.746 -5.652 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.509 -5.769 -8.543 1.00 0.00 H new ATOM 1057 N MET A 79 9.512 -5.411 -3.907 1.00 0.00 N ATOM 1058 CA MET A 79 9.104 -5.721 -2.551 1.00 0.00 C ATOM 1059 C MET A 79 7.855 -6.593 -2.619 1.00 0.00 C ATOM 1060 O MET A 79 7.026 -6.437 -3.516 1.00 0.00 O ATOM 1061 CB MET A 79 8.799 -4.439 -1.766 1.00 0.00 C ATOM 1062 CG MET A 79 10.059 -3.702 -1.301 1.00 0.00 C ATOM 1063 SD MET A 79 10.923 -2.702 -2.529 1.00 0.00 S ATOM 1064 CE MET A 79 12.141 -1.931 -1.448 1.00 0.00 C ATOM 0 H MET A 79 8.761 -5.011 -4.470 1.00 0.00 H new ATOM 0 HA MET A 79 9.911 -6.244 -2.038 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.205 -3.771 -2.390 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.190 -4.689 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.785 -3.054 -0.469 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.760 -4.441 -0.912 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.884 -1.410 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.644 -1.219 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.633 -2.697 -0.849 1.00 0.00 H new ATOM 1072 N ARG A 80 7.730 -7.495 -1.646 1.00 0.00 N ATOM 1073 CA ARG A 80 6.523 -8.260 -1.408 1.00 0.00 C ATOM 1074 C ARG A 80 5.396 -7.308 -1.019 1.00 0.00 C ATOM 1075 O ARG A 80 5.479 -6.665 0.034 1.00 0.00 O ATOM 1076 CB ARG A 80 6.752 -9.213 -0.246 1.00 0.00 C ATOM 1077 CG ARG A 80 7.743 -10.320 -0.611 1.00 0.00 C ATOM 1078 CD ARG A 80 7.656 -11.385 0.477 1.00 0.00 C ATOM 1079 NE ARG A 80 7.891 -10.784 1.806 1.00 0.00 N ATOM 1080 CZ ARG A 80 8.968 -10.938 2.591 1.00 0.00 C ATOM 1081 NH1 ARG A 80 9.792 -11.978 2.427 1.00 0.00 N ATOM 1082 NH2 ARG A 80 9.208 -10.021 3.532 1.00 0.00 N ATOM 0 H ARG A 80 8.483 -7.713 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 80 6.264 -8.814 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.128 -8.657 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.803 -9.658 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.502 -10.746 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.755 -9.922 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.675 -11.859 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.392 -12.167 0.289 1.00 0.00 H new ATOM 0 HE ARG A 80 7.150 -10.184 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.605 -12.667 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.607 -12.083 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.579 -9.226 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.020 -10.116 4.141 1.00 0.00 H new ATOM 1093 N ILE A 81 4.340 -7.250 -1.830 1.00 0.00 N ATOM 1094 CA ILE A 81 3.104 -6.600 -1.452 1.00 0.00 C ATOM 1095 C ILE A 81 1.973 -7.626 -1.445 1.00 0.00 C ATOM 1096 O ILE A 81 1.764 -8.354 -2.415 1.00 0.00 O ATOM 1097 CB ILE A 81 2.809 -5.328 -2.268 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.436 -5.493 -3.750 1.00 0.00 C ATOM 1099 CG2 ILE A 81 3.941 -4.310 -2.134 1.00 0.00 C ATOM 1100 CD1 ILE A 81 3.626 -5.586 -4.712 1.00 0.00 C ATOM 0 H ILE A 81 4.326 -7.655 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 81 3.205 -6.219 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 81 1.889 -4.971 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.830 -6.392 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.812 -4.650 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.704 -3.423 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.058 -4.031 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.870 -4.749 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.261 -5.701 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.224 -4.677 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.241 -6.446 -4.448 1.00 0.00 H new ATOM 1111 N THR A 82 1.266 -7.709 -0.319 1.00 0.00 N ATOM 1112 CA THR A 82 0.036 -8.451 -0.156 1.00 0.00 C ATOM 1113 C THR A 82 -1.102 -7.487 -0.500 1.00 0.00 C ATOM 1114 O THR A 82 -1.550 -6.706 0.340 1.00 0.00 O ATOM 1115 CB THR A 82 -0.006 -9.014 1.279 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.776 -8.234 2.169 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.622 -10.413 1.303 1.00 0.00 C ATOM 0 H THR A 82 1.556 -7.237 0.537 1.00 0.00 H new ATOM 0 HA THR A 82 -0.053 -9.315 -0.815 1.00 0.00 H new ATOM 0 HB THR A 82 -1.053 -9.017 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.726 -8.617 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.591 -10.808 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.064 -11.074 0.639 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.658 -10.353 0.969 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.526 -7.475 -1.767 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.534 -6.523 -2.206 1.00 0.00 C ATOM 1127 C ASP A 83 -3.905 -6.920 -1.673 1.00 0.00 C ATOM 1128 O ASP A 83 -4.438 -7.939 -2.112 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.548 -6.361 -3.725 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.507 -5.238 -4.093 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.216 -4.097 -3.670 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.521 -5.545 -4.755 1.00 0.00 O ATOM 0 H ASP A 83 -1.189 -8.107 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.274 -5.548 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.546 -6.135 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.858 -7.292 -4.200 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.456 -6.159 -0.722 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.687 -6.512 -0.028 1.00 0.00 C ATOM 1138 C CYS A 84 -6.863 -5.872 -0.746 1.00 0.00 C ATOM 1139 O CYS A 84 -6.857 -4.663 -0.952 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.651 -6.028 1.425 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.078 -6.590 2.368 1.00 0.00 S ATOM 0 H CYS A 84 -4.053 -5.274 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.792 -7.597 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.739 -6.386 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.613 -4.939 1.442 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.852 -6.674 -1.149 1.00 0.00 N ATOM 1146 CA ARG A 85 -8.994 -6.215 -1.922 1.00 0.00 C ATOM 1147 C ARG A 85 -10.275 -6.810 -1.345 1.00 0.00 C ATOM 1148 O ARG A 85 -10.235 -7.926 -0.831 1.00 0.00 O ATOM 1149 CB ARG A 85 -8.793 -6.661 -3.377 1.00 0.00 C ATOM 1150 CG ARG A 85 -9.912 -6.164 -4.294 1.00 0.00 C ATOM 1151 CD ARG A 85 -9.557 -6.319 -5.773 1.00 0.00 C ATOM 1152 NE ARG A 85 -10.706 -5.926 -6.602 1.00 0.00 N ATOM 1153 CZ ARG A 85 -10.684 -5.780 -7.936 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -9.550 -6.004 -8.609 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -11.794 -5.413 -8.587 1.00 0.00 N ATOM 0 H ARG A 85 -7.876 -7.672 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.078 -5.129 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.835 -6.288 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.748 -7.749 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.827 -6.718 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.117 -5.115 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.693 -5.701 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.280 -7.352 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.590 -5.750 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.707 -6.285 -8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.528 -5.894 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.657 -5.244 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.778 -5.302 -9.601 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.406 -6.110 -1.484 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.713 -6.687 -1.196 1.00 0.00 C ATOM 1168 C GLU A 86 -13.185 -7.419 -2.452 1.00 0.00 C ATOM 1169 O GLU A 86 -13.204 -6.841 -3.540 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.742 -5.607 -0.841 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.474 -4.910 0.497 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.472 -3.775 0.708 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.669 -4.025 0.455 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.028 -2.673 1.090 1.00 0.00 O ATOM 0 H GLU A 86 -11.437 -5.139 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.623 -7.360 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.756 -4.858 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.733 -6.059 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.552 -5.629 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.457 -4.518 0.514 1.00 0.00 H new ATOM 1179 N THR A 87 -13.563 -8.689 -2.317 1.00 0.00 N ATOM 1180 CA THR A 87 -14.193 -9.420 -3.403 1.00 0.00 C ATOM 1181 C THR A 87 -15.587 -8.841 -3.653 1.00 0.00 C ATOM 1182 O THR A 87 -16.104 -8.074 -2.840 1.00 0.00 O ATOM 1183 CB THR A 87 -14.243 -10.914 -3.054 1.00 0.00 C ATOM 1184 OG1 THR A 87 -14.901 -11.132 -1.826 1.00 0.00 O ATOM 1185 CG2 THR A 87 -12.822 -11.464 -2.906 1.00 0.00 C ATOM 0 H THR A 87 -13.441 -9.230 -1.461 1.00 0.00 H new ATOM 0 HA THR A 87 -13.616 -9.316 -4.322 1.00 0.00 H new ATOM 0 HB THR A 87 -14.781 -11.414 -3.860 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.859 -11.261 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.866 -12.525 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.281 -11.333 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.305 -10.927 -2.111 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.214 -9.218 -4.772 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.546 -8.751 -5.129 1.00 0.00 C ATOM 1195 C GLY A 88 -18.622 -9.434 -4.283 1.00 0.00 C ATOM 1196 O GLY A 88 -19.468 -10.153 -4.808 1.00 0.00 O ATOM 0 H GLY A 88 -15.806 -9.858 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.604 -7.671 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.732 -8.948 -6.185 1.00 0.00 H new ATOM 1199 N SER A 89 -18.570 -9.221 -2.969 1.00 0.00 N ATOM 1200 CA SER A 89 -19.397 -9.899 -1.985 1.00 0.00 C ATOM 1201 C SER A 89 -19.263 -9.262 -0.595 1.00 0.00 C ATOM 1202 O SER A 89 -19.761 -9.824 0.379 1.00 0.00 O ATOM 1203 CB SER A 89 -19.007 -11.385 -1.950 1.00 0.00 C ATOM 1204 OG SER A 89 -17.595 -11.534 -1.905 1.00 0.00 O ATOM 0 H SER A 89 -17.928 -8.548 -2.551 1.00 0.00 H new ATOM 0 HA SER A 89 -20.443 -9.801 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.456 -11.863 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.403 -11.891 -2.831 1.00 0.00 H new ATOM 0 HG SER A 89 -17.367 -12.487 -1.882 1.00 0.00 H new ATOM 1209 N SER A 90 -18.599 -8.108 -0.473 1.00 0.00 N ATOM 1210 CA SER A 90 -18.404 -7.450 0.803 1.00 0.00 C ATOM 1211 C SER A 90 -19.715 -6.816 1.276 1.00 0.00 C ATOM 1212 O SER A 90 -20.483 -6.275 0.484 1.00 0.00 O ATOM 1213 CB SER A 90 -17.265 -6.441 0.646 1.00 0.00 C ATOM 1214 OG SER A 90 -17.438 -5.667 -0.521 1.00 0.00 O ATOM 0 H SER A 90 -18.185 -7.612 -1.262 1.00 0.00 H new ATOM 0 HA SER A 90 -18.121 -8.162 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.228 -5.788 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.311 -6.967 0.601 1.00 0.00 H new ATOM 0 HG SER A 90 -16.880 -4.863 -0.466 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.999 -6.941 2.574 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.244 -6.521 3.195 1.00 0.00 C ATOM 1221 C LYS A 91 -20.913 -5.843 4.522 1.00 0.00 C ATOM 1222 O LYS A 91 -21.229 -6.377 5.583 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.140 -7.757 3.387 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.628 -8.293 2.032 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.622 -9.456 2.164 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.988 -8.990 2.695 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.988 -10.079 2.683 1.00 0.00 N ATOM 0 H LYS A 91 -19.343 -7.352 3.238 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.784 -5.808 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.586 -8.535 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.996 -7.498 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.099 -7.482 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.769 -8.623 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.754 -9.932 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.210 -10.210 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.873 -8.615 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.349 -8.160 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.894 -9.722 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.118 -10.420 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.657 -10.861 3.283 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.267 -4.672 4.464 1.00 0.00 N ATOM 1238 CA TYR A 92 -19.760 -3.958 5.633 1.00 0.00 C ATOM 1239 C TYR A 92 -20.799 -3.938 6.760 1.00 0.00 C ATOM 1240 O TYR A 92 -21.932 -3.522 6.522 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.392 -2.522 5.229 1.00 0.00 C ATOM 1242 CG TYR A 92 -18.927 -1.660 6.388 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -17.620 -1.809 6.876 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -19.841 -0.845 7.086 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -17.236 -1.191 8.075 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -19.451 -0.214 8.282 1.00 0.00 C ATOM 1247 CZ TYR A 92 -18.156 -0.411 8.790 1.00 0.00 C ATOM 1248 OH TYR A 92 -17.785 0.132 9.981 1.00 0.00 O ATOM 0 H TYR A 92 -20.081 -4.189 3.585 1.00 0.00 H new ATOM 0 HA TYR A 92 -18.875 -4.475 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.605 -2.557 4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.258 -2.052 4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.906 -2.403 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -20.841 -0.705 6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.230 -1.316 8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -20.147 0.422 8.809 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.532 0.646 10.353 1.00 0.00 H new ATOM 1257 N PRO A 93 -20.448 -4.383 7.980 1.00 0.00 N ATOM 1258 CA PRO A 93 -19.104 -4.714 8.455 1.00 0.00 C ATOM 1259 C PRO A 93 -18.553 -6.070 7.985 1.00 0.00 C ATOM 1260 O PRO A 93 -17.353 -6.308 8.101 1.00 0.00 O ATOM 1261 CB PRO A 93 -19.206 -4.676 9.978 1.00 0.00 C ATOM 1262 CG PRO A 93 -20.663 -5.023 10.260 1.00 0.00 C ATOM 1263 CD PRO A 93 -21.385 -4.365 9.088 1.00 0.00 C ATOM 0 HA PRO A 93 -18.394 -3.999 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.528 -5.393 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.947 -3.693 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.827 -6.100 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -20.998 -4.626 11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -22.296 -4.907 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -21.679 -3.345 9.334 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.388 -6.960 7.445 1.00 0.00 N ATOM 1269 CA ASN A 94 -18.965 -8.265 6.939 1.00 0.00 C ATOM 1270 C ASN A 94 -18.239 -8.088 5.598 1.00 0.00 C ATOM 1271 O ASN A 94 -18.750 -8.476 4.548 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.188 -9.201 6.820 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.526 -9.910 8.129 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -20.739 -11.116 8.151 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -20.588 -9.173 9.235 1.00 0.00 N ATOM 0 H ASN A 94 -20.389 -6.792 7.346 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.265 -8.728 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.052 -8.622 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.994 -9.947 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -20.817 -9.611 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -20.406 -8.170 9.191 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.052 -7.476 5.611 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.286 -7.237 4.390 1.00 0.00 C ATOM 1283 C CYS A 95 -15.481 -8.467 3.984 1.00 0.00 C ATOM 1284 O CYS A 95 -14.743 -9.044 4.777 1.00 0.00 O ATOM 1285 CB CYS A 95 -15.402 -5.995 4.483 1.00 0.00 C ATOM 1286 SG CYS A 95 -16.387 -4.493 4.560 1.00 0.00 S ATOM 0 H CYS A 95 -16.600 -7.136 6.460 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.014 -7.041 3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -14.769 -6.063 5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.739 -5.953 3.619 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.635 -8.863 2.721 1.00 0.00 N ATOM 1291 CA ALA A 96 -15.089 -10.085 2.166 1.00 0.00 C ATOM 1292 C ALA A 96 -13.705 -9.799 1.588 1.00 0.00 C ATOM 1293 O ALA A 96 -13.555 -9.648 0.376 1.00 0.00 O ATOM 1294 CB ALA A 96 -16.068 -10.592 1.103 1.00 0.00 C ATOM 0 H ALA A 96 -16.162 -8.318 2.039 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.968 -10.856 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.684 -11.513 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.037 -10.785 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.180 -9.839 0.323 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.690 -9.692 2.449 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.363 -9.323 1.981 1.00 0.00 C ATOM 1302 C TYR A 97 -10.549 -10.528 1.500 1.00 0.00 C ATOM 1303 O TYR A 97 -10.700 -11.645 1.996 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.583 -8.627 3.086 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.962 -7.199 3.395 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.430 -6.177 2.586 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.489 -6.883 4.658 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.310 -4.874 3.089 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.420 -5.565 5.136 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.812 -4.564 4.360 1.00 0.00 C ATOM 1311 OH TYR A 97 -10.633 -3.312 4.874 1.00 0.00 O ATOM 0 H TYR A 97 -12.763 -9.853 3.454 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.515 -8.652 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.693 -9.212 3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.526 -8.647 2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.114 -6.397 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.947 -7.653 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.830 -4.109 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.835 -5.320 6.102 1.00 0.00 H new ATOM 0 HH TYR A 97 -9.674 -3.118 4.936 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.643 -10.265 0.555 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.797 -11.226 -0.131 1.00 0.00 C ATOM 1322 C LYS A 98 -7.464 -10.518 -0.425 1.00 0.00 C ATOM 1323 O LYS A 98 -7.461 -9.504 -1.118 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.569 -11.648 -1.399 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.997 -12.789 -2.253 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.593 -12.453 -2.747 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.065 -13.367 -3.855 1.00 0.00 C ATOM 1328 NZ LYS A 98 -5.643 -13.069 -4.120 1.00 0.00 N ATOM 0 H LYS A 98 -9.475 -9.312 0.233 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.568 -12.125 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.577 -11.933 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.664 -10.770 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.970 -13.708 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.651 -12.973 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.587 -11.425 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.906 -12.496 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.178 -14.411 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.650 -13.226 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.264 -13.759 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.557 -12.111 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.105 -13.127 -3.232 1.00 0.00 H new ATOM 1338 N THR A 99 -6.338 -11.044 0.087 1.00 0.00 N ATOM 1339 CA THR A 99 -4.994 -10.552 -0.243 1.00 0.00 C ATOM 1340 C THR A 99 -4.393 -11.267 -1.461 1.00 0.00 C ATOM 1341 O THR A 99 -4.628 -12.459 -1.683 1.00 0.00 O ATOM 1342 CB THR A 99 -4.045 -10.546 0.978 1.00 0.00 C ATOM 1343 OG1 THR A 99 -3.627 -9.229 1.267 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.750 -11.346 0.778 1.00 0.00 C ATOM 0 H THR A 99 -6.337 -11.825 0.743 1.00 0.00 H new ATOM 0 HA THR A 99 -5.112 -9.508 -0.532 1.00 0.00 H new ATOM 0 HB THR A 99 -4.632 -11.001 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.379 -8.721 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.144 -11.289 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.994 -12.388 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.191 -10.930 -0.061 1.00 0.00 H new ATOM 1352 N THR A 100 -3.589 -10.553 -2.250 1.00 0.00 N ATOM 1353 CA THR A 100 -2.862 -11.083 -3.392 1.00 0.00 C ATOM 1354 C THR A 100 -1.371 -10.783 -3.216 1.00 0.00 C ATOM 1355 O THR A 100 -0.941 -9.655 -3.432 1.00 0.00 O ATOM 1356 CB THR A 100 -3.457 -10.479 -4.674 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.872 -10.546 -4.590 1.00 0.00 O ATOM 1358 CG2 THR A 100 -3.001 -11.242 -5.919 1.00 0.00 C ATOM 0 H THR A 100 -3.424 -9.557 -2.102 1.00 0.00 H new ATOM 0 HA THR A 100 -2.960 -12.166 -3.467 1.00 0.00 H new ATOM 0 HB THR A 100 -3.114 -9.448 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.266 -10.162 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.441 -10.787 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.914 -11.203 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.322 -12.281 -5.847 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.596 -11.785 -2.790 1.00 0.00 N ATOM 1367 CA GLN A 101 0.854 -11.684 -2.680 1.00 0.00 C ATOM 1368 C GLN A 101 1.435 -11.547 -4.086 1.00 0.00 C ATOM 1369 O GLN A 101 1.283 -12.468 -4.887 1.00 0.00 O ATOM 1370 CB GLN A 101 1.400 -12.939 -1.971 1.00 0.00 C ATOM 1371 CG GLN A 101 2.789 -12.768 -1.329 1.00 0.00 C ATOM 1372 CD GLN A 101 3.928 -12.370 -2.274 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.721 -11.497 -1.933 1.00 0.00 O ATOM 1374 NE2 GLN A 101 4.028 -13.007 -3.438 1.00 0.00 N ATOM 0 H GLN A 101 -0.965 -12.694 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 101 1.140 -10.812 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.693 -13.238 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.447 -13.755 -2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.714 -12.013 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.059 -13.705 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.349 -13.727 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.784 -12.775 -4.083 1.00 0.00 H new ATOM 1381 N VAL A 102 2.093 -10.425 -4.377 1.00 0.00 N ATOM 1382 CA VAL A 102 2.896 -10.249 -5.578 1.00 0.00 C ATOM 1383 C VAL A 102 4.157 -9.473 -5.194 1.00 0.00 C ATOM 1384 O VAL A 102 4.207 -8.868 -4.124 1.00 0.00 O ATOM 1385 CB VAL A 102 2.099 -9.536 -6.689 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.072 -10.460 -7.348 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.395 -8.281 -6.170 1.00 0.00 C ATOM 0 H VAL A 102 2.080 -9.603 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 102 3.176 -11.221 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 102 2.832 -9.243 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.536 -9.913 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.583 -11.314 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.365 -10.812 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.845 -7.809 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.702 -8.555 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.136 -7.583 -5.780 1.00 0.00 H new ATOM 1397 N GLU A 103 5.167 -9.490 -6.064 1.00 0.00 N ATOM 1398 CA GLU A 103 6.499 -8.957 -5.823 1.00 0.00 C ATOM 1399 C GLU A 103 6.858 -7.996 -6.958 1.00 0.00 C ATOM 1400 O GLU A 103 7.228 -8.410 -8.055 1.00 0.00 O ATOM 1401 CB GLU A 103 7.516 -10.094 -5.598 1.00 0.00 C ATOM 1402 CG GLU A 103 7.412 -11.298 -6.551 1.00 0.00 C ATOM 1403 CD GLU A 103 6.110 -12.073 -6.392 1.00 0.00 C ATOM 1404 OE1 GLU A 103 5.935 -12.720 -5.336 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.253 -11.876 -7.283 1.00 0.00 O ATOM 0 H GLU A 103 5.070 -9.894 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 103 6.525 -8.380 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.520 -9.677 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.405 -10.456 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.497 -10.948 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.252 -11.969 -6.372 1.00 0.00 H new ATOM 1410 N LYS A 104 6.677 -6.696 -6.714 1.00 0.00 N ATOM 1411 CA LYS A 104 6.790 -5.629 -7.701 1.00 0.00 C ATOM 1412 C LYS A 104 7.536 -4.480 -7.033 1.00 0.00 C ATOM 1413 O LYS A 104 7.676 -4.482 -5.811 1.00 0.00 O ATOM 1414 CB LYS A 104 5.393 -5.173 -8.133 1.00 0.00 C ATOM 1415 CG LYS A 104 4.797 -5.964 -9.300 1.00 0.00 C ATOM 1416 CD LYS A 104 4.119 -7.260 -8.850 1.00 0.00 C ATOM 1417 CE LYS A 104 3.129 -7.736 -9.916 1.00 0.00 C ATOM 1418 NZ LYS A 104 3.807 -8.085 -11.182 1.00 0.00 N ATOM 0 H LYS A 104 6.438 -6.348 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 104 7.323 -5.970 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.720 -5.249 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.439 -4.120 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.071 -5.341 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.586 -6.200 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.870 -8.029 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.598 -7.098 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.585 -8.604 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.393 -6.954 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.111 -8.466 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.248 -7.234 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.539 -8.801 -10.998 1.00 0.00 H new ATOM 1428 N HIS A 105 8.018 -3.494 -7.795 1.00 0.00 N ATOM 1429 CA HIS A 105 8.519 -2.287 -7.148 1.00 0.00 C ATOM 1430 C HIS A 105 7.326 -1.607 -6.498 1.00 0.00 C ATOM 1431 O HIS A 105 6.252 -1.584 -7.092 1.00 0.00 O ATOM 1432 CB HIS A 105 9.154 -1.300 -8.125 1.00 0.00 C ATOM 1433 CG HIS A 105 10.071 -1.920 -9.141 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.689 -2.358 -10.389 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.415 -2.113 -9.013 1.00 0.00 C ATOM 1436 CE1 HIS A 105 10.787 -2.797 -11.026 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.850 -2.649 -10.207 1.00 0.00 N ATOM 0 H HIS A 105 8.070 -3.506 -8.814 1.00 0.00 H new ATOM 0 HA HIS A 105 9.293 -2.576 -6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.360 -0.768 -8.650 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.714 -0.557 -7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.020 -1.890 -8.147 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.815 -3.201 -12.027 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.814 -2.893 -10.434 1.00 0.00 H new ATOM 1445 N ILE A 106 7.505 -1.032 -5.318 1.00 0.00 N ATOM 1446 CA ILE A 106 6.488 -0.199 -4.709 1.00 0.00 C ATOM 1447 C ILE A 106 6.731 1.235 -5.161 1.00 0.00 C ATOM 1448 O ILE A 106 7.873 1.697 -5.185 1.00 0.00 O ATOM 1449 CB ILE A 106 6.484 -0.354 -3.180 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.877 -0.228 -2.545 1.00 0.00 C ATOM 1451 CG2 ILE A 106 5.816 -1.690 -2.848 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.880 -0.553 -1.057 1.00 0.00 C ATOM 0 H ILE A 106 8.354 -1.131 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 106 5.493 -0.507 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 106 5.919 0.470 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.567 -0.896 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.247 0.787 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.798 -1.829 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.796 -1.692 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.378 -2.502 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.891 -0.447 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.213 0.132 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.538 -1.577 -0.908 1.00 0.00 H new ATOM 1463 N ILE A 107 5.655 1.911 -5.556 1.00 0.00 N ATOM 1464 CA ILE A 107 5.650 3.299 -5.966 1.00 0.00 C ATOM 1465 C ILE A 107 4.990 4.081 -4.816 1.00 0.00 C ATOM 1466 O ILE A 107 3.794 3.895 -4.565 1.00 0.00 O ATOM 1467 CB ILE A 107 4.926 3.477 -7.322 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.141 2.358 -8.361 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.319 4.826 -7.933 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.585 2.150 -8.795 1.00 0.00 C ATOM 0 H ILE A 107 4.730 1.483 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 107 6.657 3.678 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 107 3.864 3.428 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.763 1.423 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.541 2.582 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.811 4.955 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 107 5.029 5.630 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.397 4.854 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.633 1.343 -9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.966 3.068 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.192 1.890 -7.928 1.00 0.00 H new ATOM 1481 N VAL A 108 5.752 4.897 -4.071 1.00 0.00 N ATOM 1482 CA VAL A 108 5.223 5.654 -2.925 1.00 0.00 C ATOM 1483 C VAL A 108 5.386 7.159 -3.114 1.00 0.00 C ATOM 1484 O VAL A 108 6.225 7.604 -3.889 1.00 0.00 O ATOM 1485 CB VAL A 108 5.811 5.203 -1.573 1.00 0.00 C ATOM 1486 CG1 VAL A 108 5.490 3.734 -1.276 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.313 5.487 -1.444 1.00 0.00 C ATOM 0 H VAL A 108 6.745 5.050 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 108 4.157 5.428 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 108 5.319 5.812 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.922 3.454 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.409 3.597 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.911 3.104 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.665 5.146 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.852 4.959 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.490 6.558 -1.539 1.00 0.00 H new ATOM 1497 N ALA A 109 4.573 7.927 -2.384 1.00 0.00 N ATOM 1498 CA ALA A 109 4.447 9.373 -2.470 1.00 0.00 C ATOM 1499 C ALA A 109 5.235 10.025 -1.333 1.00 0.00 C ATOM 1500 O ALA A 109 4.886 9.826 -0.169 1.00 0.00 O ATOM 1501 CB ALA A 109 2.963 9.709 -2.332 1.00 0.00 C ATOM 0 H ALA A 109 3.953 7.528 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 109 4.839 9.743 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.827 10.789 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.405 9.228 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.597 9.350 -1.370 1.00 0.00 H new ATOM 1507 N CYS A 110 6.283 10.790 -1.652 1.00 0.00 N ATOM 1508 CA CYS A 110 7.247 11.299 -0.677 1.00 0.00 C ATOM 1509 C CYS A 110 6.900 12.711 -0.204 1.00 0.00 C ATOM 1510 O CYS A 110 6.323 13.488 -0.962 1.00 0.00 O ATOM 1511 CB CYS A 110 8.622 11.308 -1.328 1.00 0.00 C ATOM 1512 SG CYS A 110 10.007 11.673 -0.237 1.00 0.00 S ATOM 0 H CYS A 110 6.487 11.076 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 110 7.227 10.651 0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.792 10.333 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.616 12.042 -2.134 1.00 0.00 H new ATOM 1516 N GLY A 111 7.247 13.074 1.031 1.00 0.00 N ATOM 1517 CA GLY A 111 6.971 14.401 1.559 1.00 0.00 C ATOM 1518 C GLY A 111 7.217 14.460 3.064 1.00 0.00 C ATOM 1519 O GLY A 111 8.100 13.781 3.582 1.00 0.00 O ATOM 0 H GLY A 111 7.725 12.456 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.602 15.134 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.937 14.672 1.346 1.00 0.00 H new ATOM 1522 N GLY A 112 6.432 15.300 3.749 1.00 0.00 N ATOM 1523 CA GLY A 112 6.333 15.348 5.202 1.00 0.00 C ATOM 1524 C GLY A 112 7.659 15.614 5.913 1.00 0.00 C ATOM 1525 O GLY A 112 7.936 14.954 6.910 1.00 0.00 O ATOM 0 H GLY A 112 5.832 15.984 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.622 16.126 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.926 14.402 5.558 1.00 0.00 H new ATOM 1528 N LYS A 113 8.420 16.605 5.417 1.00 0.00 N ATOM 1529 CA LYS A 113 9.764 16.983 5.862 1.00 0.00 C ATOM 1530 C LYS A 113 10.055 16.622 7.334 1.00 0.00 C ATOM 1531 O LYS A 113 9.345 17.114 8.214 1.00 0.00 O ATOM 1532 CB LYS A 113 10.019 18.471 5.561 1.00 0.00 C ATOM 1533 CG LYS A 113 9.094 19.454 6.300 1.00 0.00 C ATOM 1534 CD LYS A 113 9.841 20.157 7.448 1.00 0.00 C ATOM 1535 CE LYS A 113 8.910 20.983 8.348 1.00 0.00 C ATOM 1536 NZ LYS A 113 8.290 22.122 7.639 1.00 0.00 N ATOM 0 H LYS A 113 8.091 17.194 4.652 1.00 0.00 H new ATOM 0 HA LYS A 113 10.473 16.385 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.052 18.706 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 113 9.912 18.632 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 113 8.714 20.198 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.231 18.919 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.354 19.409 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.608 20.810 7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.126 20.337 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.475 21.357 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.673 22.644 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.034 22.757 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.727 21.768 6.840 1.00 0.00 H new ATOM 1546 N PRO A 114 11.081 15.807 7.643 1.00 0.00 N ATOM 1547 CA PRO A 114 12.111 15.288 6.745 1.00 0.00 C ATOM 1548 C PRO A 114 11.547 14.283 5.737 1.00 0.00 C ATOM 1549 O PRO A 114 10.381 13.921 5.802 1.00 0.00 O ATOM 1550 CB PRO A 114 13.160 14.647 7.660 1.00 0.00 C ATOM 1551 CG PRO A 114 12.340 14.215 8.873 1.00 0.00 C ATOM 1552 CD PRO A 114 11.314 15.340 8.998 1.00 0.00 C ATOM 0 HA PRO A 114 12.540 16.083 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.649 13.799 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.943 15.354 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.864 13.247 8.717 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.956 14.126 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.391 14.980 9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.689 16.144 9.631 1.00 0.00 H new ATOM 1557 N SER A 115 12.363 13.883 4.759 1.00 0.00 N ATOM 1558 CA SER A 115 11.886 13.138 3.601 1.00 0.00 C ATOM 1559 C SER A 115 11.311 11.769 3.997 1.00 0.00 C ATOM 1560 O SER A 115 12.082 10.853 4.284 1.00 0.00 O ATOM 1561 CB SER A 115 13.027 13.006 2.582 1.00 0.00 C ATOM 1562 OG SER A 115 12.517 12.594 1.332 1.00 0.00 O ATOM 0 H SER A 115 13.366 14.067 4.751 1.00 0.00 H new ATOM 0 HA SER A 115 11.064 13.688 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.542 13.961 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.762 12.285 2.939 1.00 0.00 H new ATOM 0 HG SER A 115 11.594 12.284 1.441 1.00 0.00 H new ATOM 1567 N VAL A 116 9.980 11.615 4.018 1.00 0.00 N ATOM 1568 CA VAL A 116 9.311 10.357 4.354 1.00 0.00 C ATOM 1569 C VAL A 116 8.092 10.143 3.445 1.00 0.00 C ATOM 1570 O VAL A 116 7.503 11.118 2.980 1.00 0.00 O ATOM 1571 CB VAL A 116 8.896 10.349 5.837 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.118 10.462 6.756 1.00 0.00 C ATOM 1573 CG2 VAL A 116 7.903 11.469 6.176 1.00 0.00 C ATOM 0 H VAL A 116 9.332 12.372 3.799 1.00 0.00 H new ATOM 0 HA VAL A 116 10.008 9.535 4.191 1.00 0.00 H new ATOM 0 HB VAL A 116 8.400 9.393 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.793 10.454 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.786 9.620 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.645 11.393 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.644 11.418 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.358 12.436 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.001 11.350 5.575 1.00 0.00 H new ATOM 1583 N PRO A 117 7.690 8.894 3.161 1.00 0.00 N ATOM 1584 CA PRO A 117 6.513 8.647 2.354 1.00 0.00 C ATOM 1585 C PRO A 117 5.237 8.913 3.149 1.00 0.00 C ATOM 1586 O PRO A 117 5.091 8.443 4.276 1.00 0.00 O ATOM 1587 CB PRO A 117 6.640 7.228 1.811 1.00 0.00 C ATOM 1588 CG PRO A 117 7.578 6.542 2.796 1.00 0.00 C ATOM 1589 CD PRO A 117 8.430 7.667 3.392 1.00 0.00 C ATOM 0 HA PRO A 117 6.443 9.333 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.672 6.729 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.048 7.222 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.019 6.018 3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.200 5.800 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.598 7.507 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.410 7.707 2.917 1.00 0.00 H new ATOM 1594 N VAL A 118 4.329 9.695 2.556 1.00 0.00 N ATOM 1595 CA VAL A 118 3.067 10.118 3.157 1.00 0.00 C ATOM 1596 C VAL A 118 1.852 9.505 2.458 1.00 0.00 C ATOM 1597 O VAL A 118 0.746 9.564 2.995 1.00 0.00 O ATOM 1598 CB VAL A 118 2.972 11.655 3.203 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.048 12.256 4.114 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.083 12.288 1.808 1.00 0.00 C ATOM 0 H VAL A 118 4.460 10.061 1.613 1.00 0.00 H new ATOM 0 HA VAL A 118 3.057 9.743 4.180 1.00 0.00 H new ATOM 0 HB VAL A 118 1.986 11.883 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 118 3.952 13.342 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.923 11.872 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.035 11.982 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.010 13.372 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.042 12.023 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.275 11.919 1.176 1.00 0.00 H new ATOM 1610 N HIS A 119 2.028 8.931 1.265 1.00 0.00 N ATOM 1611 CA HIS A 119 0.968 8.196 0.598 1.00 0.00 C ATOM 1612 C HIS A 119 1.579 7.080 -0.241 1.00 0.00 C ATOM 1613 O HIS A 119 2.793 7.018 -0.426 1.00 0.00 O ATOM 1614 CB HIS A 119 0.076 9.141 -0.221 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.328 8.633 -0.436 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.823 8.067 -1.600 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -2.343 8.695 0.480 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.128 7.807 -1.398 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.465 8.182 -0.146 1.00 0.00 N ATOM 0 H HIS A 119 2.904 8.966 0.744 1.00 0.00 H new ATOM 0 HA HIS A 119 0.315 7.734 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.028 10.106 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.541 9.312 -1.192 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.295 7.882 -2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.280 9.070 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.799 7.368 -2.122 1.00 0.00 H new ATOM 1627 N PHE A 120 0.721 6.206 -0.760 1.00 0.00 N ATOM 1628 CA PHE A 120 1.060 5.199 -1.751 1.00 0.00 C ATOM 1629 C PHE A 120 0.635 5.725 -3.119 1.00 0.00 C ATOM 1630 O PHE A 120 -0.351 6.464 -3.187 1.00 0.00 O ATOM 1631 CB PHE A 120 0.298 3.923 -1.394 1.00 0.00 C ATOM 1632 CG PHE A 120 0.398 2.787 -2.389 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.641 2.181 -2.650 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.778 2.231 -2.925 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.693 0.973 -3.364 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.715 1.059 -3.695 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.519 0.425 -3.904 1.00 0.00 C ATOM 0 H PHE A 120 -0.262 6.182 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 120 2.128 4.984 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.659 3.567 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.755 4.176 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.553 2.644 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.731 2.707 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.637 0.465 -3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.615 0.646 -4.126 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.566 -0.486 -4.481 1.00 0.00 H new ATOM 1646 N ASP A 121 1.361 5.354 -4.175 1.00 0.00 N ATOM 1647 CA ASP A 121 0.951 5.601 -5.548 1.00 0.00 C ATOM 1648 C ASP A 121 0.424 4.299 -6.161 1.00 0.00 C ATOM 1649 O ASP A 121 -0.755 4.214 -6.499 1.00 0.00 O ATOM 1650 CB ASP A 121 2.127 6.187 -6.330 1.00 0.00 C ATOM 1651 CG ASP A 121 1.747 6.441 -7.780 1.00 0.00 C ATOM 1652 OD1 ASP A 121 1.230 7.548 -8.032 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.979 5.527 -8.598 1.00 0.00 O ATOM 0 H ASP A 121 2.256 4.871 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 121 0.141 6.330 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.448 7.120 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.974 5.502 -6.287 1.00 0.00 H new ATOM 1657 N ALA A 122 1.275 3.272 -6.265 1.00 0.00 N ATOM 1658 CA ALA A 122 0.972 2.026 -6.967 1.00 0.00 C ATOM 1659 C ALA A 122 2.109 1.036 -6.712 1.00 0.00 C ATOM 1660 O ALA A 122 3.022 1.360 -5.957 1.00 0.00 O ATOM 1661 CB ALA A 122 0.829 2.306 -8.471 1.00 0.00 C ATOM 0 H ALA A 122 2.209 3.287 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 122 0.035 1.603 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.603 1.377 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.021 3.019 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.761 2.721 -8.854 1.00 0.00 H new ATOM 1667 N SER A 123 2.101 -0.141 -7.347 1.00 0.00 N ATOM 1668 CA SER A 123 3.253 -1.038 -7.350 1.00 0.00 C ATOM 1669 C SER A 123 3.447 -1.616 -8.751 1.00 0.00 C ATOM 1670 O SER A 123 2.494 -2.155 -9.313 1.00 0.00 O ATOM 1671 CB SER A 123 3.105 -2.172 -6.328 1.00 0.00 C ATOM 1672 OG SER A 123 2.755 -1.690 -5.046 1.00 0.00 O ATOM 0 H SER A 123 1.299 -0.494 -7.869 1.00 0.00 H new ATOM 0 HA SER A 123 4.129 -0.457 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.344 -2.872 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.042 -2.726 -6.263 1.00 0.00 H new ATOM 0 HG SER A 123 2.669 -2.444 -4.425 1.00 0.00 H new ATOM 1677 N VAL A 124 4.663 -1.528 -9.296 1.00 0.00 N ATOM 1678 CA VAL A 124 5.080 -2.211 -10.511 1.00 0.00 C ATOM 1679 C VAL A 124 6.610 -2.196 -10.567 1.00 0.00 C ATOM 1680 CB VAL A 124 4.334 -1.692 -11.764 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.217 -0.992 -12.807 1.00 0.00 C ATOM 1682 CG2 VAL A 124 3.600 -2.871 -12.423 1.00 0.00 C ATOM 0 H VAL A 124 5.404 -0.960 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 124 4.783 -3.260 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 124 3.646 -0.925 -11.410 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.601 -0.666 -13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.700 -0.127 -12.353 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.978 -1.686 -13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.069 -2.520 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.323 -3.634 -12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.887 -3.296 -11.717 1.00 0.00 H new TER 1692 VAL A 124