USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=49 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+ 175:sc= 1.71 (180deg=1.49) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= -0.303 USER MOD Set 2.1: A 30 MET CE :methyl 174:sc= 0 (180deg=-0.0313) USER MOD Set 2.2: A 44 ASN : amide:sc= 0.256 X(o=2.1,f=1.8) USER MOD Set 2.3: A 97 TYR OH : rot -94:sc= 1.83 USER MOD Set 3.1: A 87 THR OG1 : rot 180:sc= 0.231 USER MOD Set 3.2: A 89 SER OG : rot 179:sc= 0.189 USER MOD Set 4.1: A 48 HIS : no HD1:sc= -0.343 K(o=-0.74,f=-11!) USER MOD Set 4.2: A 82 THR OG1 : rot 180:sc= -0.398 USER MOD Set 5.1: A 75 SER OG : rot -107:sc= 0.993 USER MOD Set 5.2: A 77 SER OG : rot 82:sc= 0.836 USER MOD Set 5.3: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 55 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.03) USER MOD Set 6.2: A 59 SER OG : rot -58:sc= 0.989 USER MOD Set 6.3: A 115 SER OG : rot -174:sc= 1.16 USER MOD Set 7.1: A 34 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0) USER MOD Set 7.2: A 37 GLN : amide:sc= 1.03 K(o=2.3,f=-7.8!) USER MOD Set 8.1: A 20 SER OG : rot 43:sc= 0.756 USER MOD Set 8.2: A 21 SER OG : rot -50:sc= 2.34 USER MOD Set 8.3: A 24 ASN : amide:sc= 1.13 K(o=7.2,f=6.4) USER MOD Set 8.4: A 25 TYR OH : rot 30:sc= 2.99 USER MOD Set 9.1: A 17 ASN : amide:sc= -0.98! C(o=-0.92!,f=-2.3!) USER MOD Set 9.2: A 18 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0.978 (180deg=0.432) USER MOD Single : A 11 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 12 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-6.5!) USER MOD Single : A 13 MET CE :methyl 174:sc= -1.42 (180deg=-1.67) USER MOD Single : A 15 SER OG : rot -49:sc= 1.24 USER MOD Single : A 22 SER OG : rot 122:sc= 0.535 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.72 K(o=1.7,f=-3.8!) USER MOD Single : A 29 MET CE :methyl -164:sc= -0.249 (180deg=-0.857) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0.926 USER MOD Single : A 35 MET CE :methyl 168:sc= -0.0312 (180deg=-0.194) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0.714 (180deg=0.551) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.78 (180deg=1.53) USER MOD Single : A 45 THR OG1 : rot -39:sc= 1.25 USER MOD Single : A 50 SER OG : rot 106:sc= 1.32 USER MOD Single : A 60 GLN : amide:sc= 0.505 K(o=0.51,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 1.46 (180deg=-0.361) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.11) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.1 (180deg=0.998) USER MOD Single : A 69 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.496 USER MOD Single : A 71 ASN : amide:sc= 0.785 K(o=0.79,f=-2.5!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.19 (180deg=1.01) USER MOD Single : A 78 THR OG1 : rot 161:sc= 1.33 USER MOD Single : A 90 SER OG : rot -136:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.032) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0424 USER MOD Single : A 94 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 99 THR OG1 : rot 71:sc= -0.151 USER MOD Single : A 101 GLN : amide:sc= 0.621 K(o=0.62,f=-0.17) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 1.22 (180deg=-0.319) USER MOD Single : A 105 HIS : no HD1:sc=-0.00404 K(o=-0.004,f=-1.8!) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.029) USER MOD Single : A 119 HIS : no HE2:sc= 0.932 K(o=0.93,f=-3.1!) USER MOD Single : A 123 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.336 11.089 17.753 1.00 0.00 N ATOM 2 CA LYS A 1 2.756 12.275 16.984 1.00 0.00 C ATOM 3 C LYS A 1 2.413 12.048 15.511 1.00 0.00 C ATOM 4 O LYS A 1 3.249 11.539 14.769 1.00 0.00 O ATOM 5 CB LYS A 1 4.265 12.543 17.144 1.00 0.00 C ATOM 6 CG LYS A 1 4.702 12.858 18.584 1.00 0.00 C ATOM 7 CD LYS A 1 6.140 13.404 18.643 1.00 0.00 C ATOM 8 CE LYS A 1 7.187 12.405 18.117 1.00 0.00 C ATOM 9 NZ LYS A 1 8.571 12.897 18.292 1.00 0.00 N ATOM 0 H1 LYS A 1 2.563 11.229 18.758 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.311 10.951 17.646 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.837 10.250 17.398 1.00 0.00 H new ATOM 0 HA LYS A 1 2.228 13.150 17.363 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.816 11.671 16.792 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.544 13.378 16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.019 13.588 19.019 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.632 11.955 19.190 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.198 14.323 18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.381 13.665 19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.073 11.455 18.639 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.003 12.213 17.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.240 12.191 17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.690 13.790 17.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.758 13.056 19.303 1.00 0.00 H new ATOM 18 N GLU A 2 1.178 12.347 15.092 1.00 0.00 N ATOM 19 CA GLU A 2 0.753 12.016 13.739 1.00 0.00 C ATOM 20 C GLU A 2 1.277 13.050 12.736 1.00 0.00 C ATOM 21 O GLU A 2 0.517 13.794 12.121 1.00 0.00 O ATOM 22 CB GLU A 2 -0.772 11.832 13.679 1.00 0.00 C ATOM 23 CG GLU A 2 -1.179 11.239 12.323 1.00 0.00 C ATOM 24 CD GLU A 2 -2.633 10.807 12.287 1.00 0.00 C ATOM 25 OE1 GLU A 2 -2.977 9.787 12.924 1.00 0.00 O ATOM 26 OE2 GLU A 2 -3.409 11.401 11.505 1.00 0.00 O ATOM 0 H GLU A 2 0.471 12.809 15.663 1.00 0.00 H new ATOM 0 HA GLU A 2 1.191 11.060 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.099 11.175 14.485 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.268 12.791 13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.004 11.977 11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.544 10.382 12.100 1.00 0.00 H new ATOM 31 N SER A 3 2.583 13.034 12.481 1.00 0.00 N ATOM 32 CA SER A 3 3.196 13.770 11.388 1.00 0.00 C ATOM 33 C SER A 3 2.946 13.059 10.048 1.00 0.00 C ATOM 34 O SER A 3 3.874 12.918 9.254 1.00 0.00 O ATOM 35 CB SER A 3 4.691 13.906 11.686 1.00 0.00 C ATOM 36 OG SER A 3 4.878 14.313 13.031 1.00 0.00 O ATOM 0 H SER A 3 3.251 12.501 13.038 1.00 0.00 H new ATOM 0 HA SER A 3 2.753 14.762 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.194 12.955 11.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.141 14.633 11.010 1.00 0.00 H new ATOM 0 HG SER A 3 5.836 14.397 13.217 1.00 0.00 H new ATOM 41 N ALA A 4 1.708 12.601 9.808 1.00 0.00 N ATOM 42 CA ALA A 4 1.244 11.886 8.620 1.00 0.00 C ATOM 43 C ALA A 4 1.982 10.567 8.349 1.00 0.00 C ATOM 44 O ALA A 4 1.385 9.492 8.450 1.00 0.00 O ATOM 45 CB ALA A 4 1.280 12.822 7.408 1.00 0.00 C ATOM 0 H ALA A 4 0.958 12.732 10.487 1.00 0.00 H new ATOM 0 HA ALA A 4 0.215 11.584 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.934 12.286 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.631 13.679 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.301 13.168 7.246 1.00 0.00 H new ATOM 51 N ALA A 5 3.263 10.650 7.974 1.00 0.00 N ATOM 52 CA ALA A 5 4.083 9.551 7.481 1.00 0.00 C ATOM 53 C ALA A 5 3.884 8.278 8.300 1.00 0.00 C ATOM 54 O ALA A 5 3.458 7.267 7.757 1.00 0.00 O ATOM 55 CB ALA A 5 5.554 9.972 7.461 1.00 0.00 C ATOM 0 H ALA A 5 3.776 11.531 8.010 1.00 0.00 H new ATOM 0 HA ALA A 5 3.766 9.320 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.164 9.147 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.677 10.835 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.871 10.234 8.470 1.00 0.00 H new ATOM 61 N ALA A 6 4.127 8.349 9.611 1.00 0.00 N ATOM 62 CA ALA A 6 4.044 7.201 10.507 1.00 0.00 C ATOM 63 C ALA A 6 2.681 6.501 10.441 1.00 0.00 C ATOM 64 O ALA A 6 2.591 5.281 10.553 1.00 0.00 O ATOM 65 CB ALA A 6 4.344 7.657 11.937 1.00 0.00 C ATOM 0 H ALA A 6 4.389 9.215 10.082 1.00 0.00 H new ATOM 0 HA ALA A 6 4.784 6.469 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.283 6.803 12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.346 8.083 11.980 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.616 8.410 12.239 1.00 0.00 H new ATOM 71 N LYS A 7 1.604 7.270 10.287 1.00 0.00 N ATOM 72 CA LYS A 7 0.244 6.754 10.285 1.00 0.00 C ATOM 73 C LYS A 7 -0.073 6.163 8.912 1.00 0.00 C ATOM 74 O LYS A 7 -0.610 5.058 8.805 1.00 0.00 O ATOM 75 CB LYS A 7 -0.678 7.913 10.674 1.00 0.00 C ATOM 76 CG LYS A 7 -2.176 7.589 10.674 1.00 0.00 C ATOM 77 CD LYS A 7 -2.923 8.533 9.716 1.00 0.00 C ATOM 78 CE LYS A 7 -4.439 8.490 9.970 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.815 9.278 11.163 1.00 0.00 N ATOM 0 H LYS A 7 1.657 8.281 10.159 1.00 0.00 H new ATOM 0 HA LYS A 7 0.104 5.945 11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.398 8.259 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.503 8.741 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.332 6.554 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.577 7.690 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.558 9.552 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.715 8.249 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.965 8.877 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.757 7.456 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.830 9.158 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.268 8.948 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.612 10.284 10.993 1.00 0.00 H new ATOM 89 N PHE A 8 0.262 6.891 7.845 1.00 0.00 N ATOM 90 CA PHE A 8 0.220 6.364 6.485 1.00 0.00 C ATOM 91 C PHE A 8 0.935 5.002 6.431 1.00 0.00 C ATOM 92 O PHE A 8 0.404 4.013 5.921 1.00 0.00 O ATOM 93 CB PHE A 8 0.861 7.382 5.531 1.00 0.00 C ATOM 94 CG PHE A 8 1.543 6.740 4.346 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.785 5.982 3.441 1.00 0.00 C ATOM 96 CD2 PHE A 8 2.944 6.645 4.329 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.429 5.249 2.435 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.587 5.892 3.339 1.00 0.00 C ATOM 99 CZ PHE A 8 2.832 5.253 2.345 1.00 0.00 C ATOM 0 H PHE A 8 0.570 7.862 7.902 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.812 6.206 6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.093 8.068 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.589 7.978 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.292 5.963 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.527 7.154 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.846 4.679 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.663 5.803 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.325 4.767 1.516 1.00 0.00 H new ATOM 108 N GLU A 9 2.158 4.961 6.949 1.00 0.00 N ATOM 109 CA GLU A 9 2.961 3.771 7.112 1.00 0.00 C ATOM 110 C GLU A 9 2.168 2.718 7.859 1.00 0.00 C ATOM 111 O GLU A 9 1.796 1.722 7.256 1.00 0.00 O ATOM 112 CB GLU A 9 4.286 4.096 7.806 1.00 0.00 C ATOM 113 CG GLU A 9 5.281 4.569 6.741 1.00 0.00 C ATOM 114 CD GLU A 9 6.536 5.225 7.306 1.00 0.00 C ATOM 115 OE1 GLU A 9 6.566 5.463 8.532 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.444 5.475 6.484 1.00 0.00 O ATOM 0 H GLU A 9 2.632 5.801 7.280 1.00 0.00 H new ATOM 0 HA GLU A 9 3.212 3.369 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.140 4.869 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.671 3.216 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.574 3.716 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.780 5.277 6.081 1.00 0.00 H new ATOM 121 N ARG A 10 1.874 2.922 9.139 1.00 0.00 N ATOM 122 CA ARG A 10 1.341 1.840 9.955 1.00 0.00 C ATOM 123 C ARG A 10 0.002 1.289 9.428 1.00 0.00 C ATOM 124 O ARG A 10 -0.354 0.159 9.748 1.00 0.00 O ATOM 125 CB ARG A 10 1.231 2.277 11.423 1.00 0.00 C ATOM 126 CG ARG A 10 2.609 2.613 12.024 1.00 0.00 C ATOM 127 CD ARG A 10 3.256 1.408 12.716 1.00 0.00 C ATOM 128 NE ARG A 10 2.688 1.198 14.058 1.00 0.00 N ATOM 129 CZ ARG A 10 3.101 0.259 14.925 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.005 -0.649 14.543 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.612 0.234 16.170 1.00 0.00 N ATOM 0 H ARG A 10 1.993 3.810 9.626 1.00 0.00 H new ATOM 0 HA ARG A 10 2.049 1.014 9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.581 3.149 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.764 1.482 12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.269 2.972 11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.500 3.426 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.106 0.514 12.111 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.332 1.564 12.794 1.00 0.00 H new ATOM 0 HE ARG A 10 1.926 1.810 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.380 -0.628 13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.320 -1.363 15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.925 0.929 16.462 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.927 -0.480 16.827 1.00 0.00 H new ATOM 142 N GLN A 11 -0.748 2.072 8.644 1.00 0.00 N ATOM 143 CA GLN A 11 -1.991 1.625 8.017 1.00 0.00 C ATOM 144 C GLN A 11 -1.788 0.773 6.753 1.00 0.00 C ATOM 145 O GLN A 11 -2.750 0.166 6.289 1.00 0.00 O ATOM 146 CB GLN A 11 -2.822 2.850 7.638 1.00 0.00 C ATOM 147 CG GLN A 11 -3.410 3.570 8.857 1.00 0.00 C ATOM 148 CD GLN A 11 -4.030 4.889 8.418 1.00 0.00 C ATOM 149 OE1 GLN A 11 -5.229 5.109 8.540 1.00 0.00 O ATOM 150 NE2 GLN A 11 -3.202 5.776 7.878 1.00 0.00 N ATOM 0 H GLN A 11 -0.506 3.039 8.427 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.492 0.993 8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.199 3.546 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.633 2.543 6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.163 2.943 9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.630 3.751 9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.209 5.560 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.559 6.673 7.550 1.00 0.00 H new ATOM 157 N HIS A 12 -0.602 0.786 6.135 1.00 0.00 N ATOM 158 CA HIS A 12 -0.378 0.183 4.816 1.00 0.00 C ATOM 159 C HIS A 12 0.876 -0.705 4.813 1.00 0.00 C ATOM 160 O HIS A 12 0.906 -1.796 4.248 1.00 0.00 O ATOM 161 CB HIS A 12 -0.341 1.302 3.753 1.00 0.00 C ATOM 162 CG HIS A 12 1.039 1.718 3.329 1.00 0.00 C ATOM 163 ND1 HIS A 12 1.865 2.557 4.045 1.00 0.00 N ATOM 164 CD2 HIS A 12 1.762 1.158 2.314 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.091 2.483 3.494 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.048 1.652 2.433 1.00 0.00 N ATOM 0 H HIS A 12 0.232 1.216 6.536 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.202 -0.486 4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.891 0.968 2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.865 2.174 4.144 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.597 3.129 4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.401 0.467 1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.968 3.005 3.845 1.00 0.00 H new ATOM 174 N MET A 13 1.947 -0.214 5.424 1.00 0.00 N ATOM 175 CA MET A 13 3.188 -0.924 5.670 1.00 0.00 C ATOM 176 C MET A 13 2.955 -1.999 6.744 1.00 0.00 C ATOM 177 O MET A 13 3.472 -1.908 7.856 1.00 0.00 O ATOM 178 CB MET A 13 4.273 0.113 6.033 1.00 0.00 C ATOM 179 CG MET A 13 5.605 -0.193 5.350 1.00 0.00 C ATOM 180 SD MET A 13 6.406 -1.739 5.821 1.00 0.00 S ATOM 181 CE MET A 13 7.787 -1.701 4.668 1.00 0.00 C ATOM 0 H MET A 13 1.970 0.742 5.779 1.00 0.00 H new ATOM 0 HA MET A 13 3.540 -1.458 4.787 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.936 1.108 5.742 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.414 0.128 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.442 -0.206 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.293 0.626 5.558 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.461 -2.531 4.881 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.412 -1.790 3.648 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.325 -0.759 4.776 1.00 0.00 H new ATOM 189 N ASP A 14 2.172 -3.024 6.390 1.00 0.00 N ATOM 190 CA ASP A 14 1.898 -4.196 7.218 1.00 0.00 C ATOM 191 C ASP A 14 3.214 -4.807 7.715 1.00 0.00 C ATOM 192 O ASP A 14 3.349 -5.177 8.879 1.00 0.00 O ATOM 193 CB ASP A 14 1.058 -5.178 6.393 1.00 0.00 C ATOM 194 CG ASP A 14 0.543 -6.356 7.208 1.00 0.00 C ATOM 195 OD1 ASP A 14 0.178 -6.141 8.381 1.00 0.00 O ATOM 196 OD2 ASP A 14 0.504 -7.461 6.621 1.00 0.00 O ATOM 0 H ASP A 14 1.697 -3.058 5.488 1.00 0.00 H new ATOM 0 HA ASP A 14 1.330 -3.926 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.211 -4.647 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.658 -5.553 5.564 1.00 0.00 H new ATOM 200 N SER A 15 4.202 -4.818 6.817 1.00 0.00 N ATOM 201 CA SER A 15 5.622 -5.053 7.055 1.00 0.00 C ATOM 202 C SER A 15 6.006 -6.524 7.200 1.00 0.00 C ATOM 203 O SER A 15 5.153 -7.408 7.262 1.00 0.00 O ATOM 204 CB SER A 15 6.164 -4.181 8.206 1.00 0.00 C ATOM 205 OG SER A 15 5.933 -4.754 9.475 1.00 0.00 O ATOM 0 H SER A 15 4.012 -4.649 5.829 1.00 0.00 H new ATOM 0 HA SER A 15 6.122 -4.734 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.235 -4.029 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.695 -3.198 8.164 1.00 0.00 H new ATOM 0 HG SER A 15 4.993 -5.023 9.546 1.00 0.00 H new ATOM 210 N GLY A 16 7.319 -6.776 7.216 1.00 0.00 N ATOM 211 CA GLY A 16 7.873 -8.117 7.278 1.00 0.00 C ATOM 212 C GLY A 16 7.859 -8.743 5.886 1.00 0.00 C ATOM 213 O GLY A 16 7.024 -8.391 5.059 1.00 0.00 O ATOM 0 H GLY A 16 8.027 -6.042 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.893 -8.082 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.293 -8.729 7.969 1.00 0.00 H new ATOM 216 N ASN A 17 8.786 -9.661 5.614 1.00 0.00 N ATOM 217 CA ASN A 17 8.998 -10.243 4.290 1.00 0.00 C ATOM 218 C ASN A 17 7.772 -11.056 3.808 1.00 0.00 C ATOM 219 O ASN A 17 6.713 -11.042 4.445 1.00 0.00 O ATOM 220 CB ASN A 17 10.306 -11.053 4.373 1.00 0.00 C ATOM 221 CG ASN A 17 10.780 -11.634 3.045 1.00 0.00 C ATOM 222 OD1 ASN A 17 10.902 -12.845 2.909 1.00 0.00 O ATOM 223 ND2 ASN A 17 11.003 -10.802 2.032 1.00 0.00 N ATOM 0 H ASN A 17 9.423 -10.028 6.322 1.00 0.00 H new ATOM 0 HA ASN A 17 9.102 -9.473 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.090 -10.411 4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.168 -11.869 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.281 -11.169 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.896 -9.796 2.165 1.00 0.00 H new ATOM 229 N SER A 18 7.908 -11.753 2.673 1.00 0.00 N ATOM 230 CA SER A 18 6.943 -12.620 2.013 1.00 0.00 C ATOM 231 C SER A 18 6.028 -13.390 2.979 1.00 0.00 C ATOM 232 O SER A 18 6.478 -14.349 3.604 1.00 0.00 O ATOM 233 CB SER A 18 7.771 -13.602 1.176 1.00 0.00 C ATOM 234 OG SER A 18 8.807 -12.892 0.518 1.00 0.00 O ATOM 0 H SER A 18 8.783 -11.716 2.149 1.00 0.00 H new ATOM 0 HA SER A 18 6.265 -12.011 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.194 -14.377 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.135 -14.102 0.446 1.00 0.00 H new ATOM 0 HG SER A 18 9.341 -13.515 -0.018 1.00 0.00 H new ATOM 239 N PRO A 19 4.749 -13.003 3.103 1.00 0.00 N ATOM 240 CA PRO A 19 3.790 -13.712 3.929 1.00 0.00 C ATOM 241 C PRO A 19 3.238 -14.927 3.172 1.00 0.00 C ATOM 242 O PRO A 19 3.407 -15.041 1.959 1.00 0.00 O ATOM 243 CB PRO A 19 2.714 -12.678 4.238 1.00 0.00 C ATOM 244 CG PRO A 19 2.695 -11.809 2.981 1.00 0.00 C ATOM 245 CD PRO A 19 4.129 -11.862 2.454 1.00 0.00 C ATOM 0 HA PRO A 19 4.222 -14.112 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.746 -13.146 4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.958 -12.096 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.988 -12.192 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.394 -10.787 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.143 -11.974 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.665 -10.942 2.686 1.00 0.00 H new ATOM 250 N SER A 20 2.588 -15.842 3.896 1.00 0.00 N ATOM 251 CA SER A 20 2.212 -17.159 3.408 1.00 0.00 C ATOM 252 C SER A 20 0.861 -17.182 2.678 1.00 0.00 C ATOM 253 O SER A 20 0.805 -17.494 1.492 1.00 0.00 O ATOM 254 CB SER A 20 2.232 -18.103 4.618 1.00 0.00 C ATOM 255 OG SER A 20 1.776 -17.430 5.788 1.00 0.00 O ATOM 0 H SER A 20 2.304 -15.677 4.862 1.00 0.00 H new ATOM 0 HA SER A 20 2.924 -17.482 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.600 -18.969 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.244 -18.476 4.778 1.00 0.00 H new ATOM 0 HG SER A 20 0.993 -16.884 5.567 1.00 0.00 H new ATOM 260 N SER A 21 -0.229 -16.943 3.411 1.00 0.00 N ATOM 261 CA SER A 21 -1.596 -17.123 2.931 1.00 0.00 C ATOM 262 C SER A 21 -2.103 -15.861 2.220 1.00 0.00 C ATOM 263 O SER A 21 -1.584 -15.489 1.171 1.00 0.00 O ATOM 264 CB SER A 21 -2.501 -17.590 4.085 1.00 0.00 C ATOM 265 OG SER A 21 -2.653 -16.588 5.079 1.00 0.00 O ATOM 0 H SER A 21 -0.182 -16.612 4.375 1.00 0.00 H new ATOM 0 HA SER A 21 -1.618 -17.910 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.480 -17.862 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.079 -18.488 4.537 1.00 0.00 H new ATOM 0 HG SER A 21 -1.771 -16.252 5.342 1.00 0.00 H new ATOM 270 N SER A 22 -3.122 -15.193 2.774 1.00 0.00 N ATOM 271 CA SER A 22 -3.687 -13.988 2.184 1.00 0.00 C ATOM 272 C SER A 22 -4.690 -13.300 3.115 1.00 0.00 C ATOM 273 O SER A 22 -4.376 -12.304 3.769 1.00 0.00 O ATOM 274 CB SER A 22 -4.343 -14.327 0.832 1.00 0.00 C ATOM 275 OG SER A 22 -5.250 -15.407 0.969 1.00 0.00 O ATOM 0 H SER A 22 -3.573 -15.478 3.643 1.00 0.00 H new ATOM 0 HA SER A 22 -2.871 -13.283 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.868 -13.452 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.574 -14.583 0.103 1.00 0.00 H new ATOM 0 HG SER A 22 -6.142 -15.124 0.679 1.00 0.00 H new ATOM 280 N SER A 23 -5.918 -13.822 3.115 1.00 0.00 N ATOM 281 CA SER A 23 -7.078 -13.348 3.860 1.00 0.00 C ATOM 282 C SER A 23 -6.701 -12.920 5.274 1.00 0.00 C ATOM 283 O SER A 23 -7.084 -11.838 5.721 1.00 0.00 O ATOM 284 CB SER A 23 -8.111 -14.478 3.900 1.00 0.00 C ATOM 285 OG SER A 23 -7.453 -15.689 4.232 1.00 0.00 O ATOM 0 H SER A 23 -6.140 -14.644 2.554 1.00 0.00 H new ATOM 0 HA SER A 23 -7.491 -12.470 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.885 -14.256 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.606 -14.571 2.933 1.00 0.00 H new ATOM 0 HG SER A 23 -8.106 -16.419 4.262 1.00 0.00 H new ATOM 290 N ASN A 24 -5.959 -13.788 5.963 1.00 0.00 N ATOM 291 CA ASN A 24 -5.533 -13.586 7.339 1.00 0.00 C ATOM 292 C ASN A 24 -5.013 -12.172 7.568 1.00 0.00 C ATOM 293 O ASN A 24 -5.664 -11.387 8.256 1.00 0.00 O ATOM 294 CB ASN A 24 -4.503 -14.644 7.755 1.00 0.00 C ATOM 295 CG ASN A 24 -5.125 -16.034 7.834 1.00 0.00 C ATOM 296 OD1 ASN A 24 -5.966 -16.291 8.686 1.00 0.00 O ATOM 297 ND2 ASN A 24 -4.734 -16.943 6.945 1.00 0.00 N ATOM 0 H ASN A 24 -5.633 -14.669 5.566 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.408 -13.707 7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.681 -14.653 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.079 -14.379 8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.137 -17.880 6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.032 -16.703 6.245 1.00 0.00 H new ATOM 303 N TYR A 25 -3.868 -11.829 6.973 1.00 0.00 N ATOM 304 CA TYR A 25 -3.272 -10.509 7.164 1.00 0.00 C ATOM 305 C TYR A 25 -4.261 -9.436 6.728 1.00 0.00 C ATOM 306 O TYR A 25 -4.392 -8.411 7.387 1.00 0.00 O ATOM 307 CB TYR A 25 -1.963 -10.344 6.374 1.00 0.00 C ATOM 308 CG TYR A 25 -1.179 -11.619 6.186 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.668 -12.307 7.301 1.00 0.00 C ATOM 310 CD2 TYR A 25 -1.209 -12.240 4.928 1.00 0.00 C ATOM 311 CE1 TYR A 25 -0.239 -13.639 7.164 1.00 0.00 C ATOM 312 CE2 TYR A 25 -0.811 -13.575 4.799 1.00 0.00 C ATOM 313 CZ TYR A 25 -0.355 -14.283 5.923 1.00 0.00 C ATOM 314 OH TYR A 25 -0.164 -15.628 5.829 1.00 0.00 O ATOM 0 H TYR A 25 -3.338 -12.446 6.357 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.037 -10.405 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.195 -9.928 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.333 -9.618 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.605 -11.814 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.539 -11.688 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.178 -14.164 8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.854 -14.061 3.835 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.426 -16.055 6.671 1.00 0.00 H new ATOM 323 N CYS A 26 -4.951 -9.688 5.611 1.00 0.00 N ATOM 324 CA CYS A 26 -5.854 -8.727 4.986 1.00 0.00 C ATOM 325 C CYS A 26 -6.839 -8.199 6.028 1.00 0.00 C ATOM 326 O CYS A 26 -6.929 -7.000 6.287 1.00 0.00 O ATOM 327 CB CYS A 26 -6.622 -9.393 3.838 1.00 0.00 C ATOM 328 SG CYS A 26 -6.527 -8.641 2.201 1.00 0.00 S ATOM 0 H CYS A 26 -4.895 -10.576 5.113 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.270 -7.898 4.585 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.269 -10.421 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.673 -9.439 4.123 1.00 0.00 H new ATOM 332 N ASN A 27 -7.585 -9.128 6.626 1.00 0.00 N ATOM 333 CA ASN A 27 -8.636 -8.802 7.576 1.00 0.00 C ATOM 334 C ASN A 27 -8.004 -8.398 8.910 1.00 0.00 C ATOM 335 O ASN A 27 -8.428 -7.422 9.526 1.00 0.00 O ATOM 336 CB ASN A 27 -9.620 -9.974 7.722 1.00 0.00 C ATOM 337 CG ASN A 27 -10.351 -10.285 6.409 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.426 -9.758 6.134 1.00 0.00 O ATOM 339 ND2 ASN A 27 -9.760 -11.121 5.560 1.00 0.00 N ATOM 0 H ASN A 27 -7.473 -10.128 6.461 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.217 -7.956 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.080 -10.861 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.351 -9.738 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.199 -11.333 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.867 -11.550 5.805 1.00 0.00 H new ATOM 345 N LEU A 28 -6.975 -9.134 9.350 1.00 0.00 N ATOM 346 CA LEU A 28 -6.292 -8.892 10.613 1.00 0.00 C ATOM 347 C LEU A 28 -5.800 -7.451 10.703 1.00 0.00 C ATOM 348 O LEU A 28 -6.124 -6.746 11.653 1.00 0.00 O ATOM 349 CB LEU A 28 -5.113 -9.863 10.772 1.00 0.00 C ATOM 350 CG LEU A 28 -4.342 -9.716 12.096 1.00 0.00 C ATOM 351 CD1 LEU A 28 -5.243 -9.933 13.318 1.00 0.00 C ATOM 352 CD2 LEU A 28 -3.201 -10.738 12.118 1.00 0.00 C ATOM 0 H LEU A 28 -6.594 -9.923 8.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.004 -9.060 11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.486 -10.884 10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.420 -9.713 9.944 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.955 -8.698 12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.655 -9.819 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.048 -9.198 13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.668 -10.936 13.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.646 -10.644 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.612 -11.744 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.531 -10.554 11.278 1.00 0.00 H new ATOM 363 N MET A 29 -5.004 -7.015 9.727 1.00 0.00 N ATOM 364 CA MET A 29 -4.448 -5.671 9.713 1.00 0.00 C ATOM 365 C MET A 29 -5.582 -4.647 9.662 1.00 0.00 C ATOM 366 O MET A 29 -5.581 -3.684 10.427 1.00 0.00 O ATOM 367 CB MET A 29 -3.505 -5.486 8.521 1.00 0.00 C ATOM 368 CG MET A 29 -2.629 -4.232 8.686 1.00 0.00 C ATOM 369 SD MET A 29 -2.180 -3.366 7.160 1.00 0.00 S ATOM 370 CE MET A 29 -3.783 -2.650 6.723 1.00 0.00 C ATOM 0 H MET A 29 -4.730 -7.586 8.927 1.00 0.00 H new ATOM 0 HA MET A 29 -3.870 -5.519 10.625 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.869 -6.365 8.419 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.088 -5.406 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.152 -3.531 9.337 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.712 -4.520 9.200 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.766 -2.327 5.682 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.564 -3.398 6.858 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.986 -1.793 7.365 1.00 0.00 H new ATOM 378 N MET A 30 -6.548 -4.847 8.759 1.00 0.00 N ATOM 379 CA MET A 30 -7.670 -3.927 8.617 1.00 0.00 C ATOM 380 C MET A 30 -8.407 -3.734 9.943 1.00 0.00 C ATOM 381 O MET A 30 -8.754 -2.604 10.295 1.00 0.00 O ATOM 382 CB MET A 30 -8.603 -4.424 7.509 1.00 0.00 C ATOM 383 CG MET A 30 -8.001 -4.039 6.156 1.00 0.00 C ATOM 384 SD MET A 30 -8.248 -2.292 5.763 1.00 0.00 S ATOM 385 CE MET A 30 -7.364 -2.163 4.203 1.00 0.00 C ATOM 0 H MET A 30 -6.571 -5.640 8.118 1.00 0.00 H new ATOM 0 HA MET A 30 -7.290 -2.946 8.332 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.726 -5.505 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.593 -3.983 7.622 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.934 -4.260 6.160 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.450 -4.651 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.515 -1.170 3.780 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.300 -2.327 4.373 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.740 -2.914 3.508 1.00 0.00 H new ATOM 393 N CYS A 31 -8.625 -4.833 10.671 1.00 0.00 N ATOM 394 CA CYS A 31 -9.213 -4.830 12.004 1.00 0.00 C ATOM 395 C CYS A 31 -8.299 -4.120 13.008 1.00 0.00 C ATOM 396 O CYS A 31 -8.716 -3.176 13.675 1.00 0.00 O ATOM 397 CB CYS A 31 -9.485 -6.270 12.448 1.00 0.00 C ATOM 398 SG CYS A 31 -10.185 -6.213 14.112 1.00 0.00 S ATOM 0 H CYS A 31 -8.391 -5.768 10.338 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.154 -4.282 11.969 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.175 -6.758 11.760 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.564 -6.852 12.441 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.431 -7.422 14.521 1.00 0.00 H new ATOM 403 N CYS A 32 -7.039 -4.550 13.096 1.00 0.00 N ATOM 404 CA CYS A 32 -6.028 -4.020 14.010 1.00 0.00 C ATOM 405 C CYS A 32 -5.887 -2.505 13.887 1.00 0.00 C ATOM 406 O CYS A 32 -5.762 -1.801 14.889 1.00 0.00 O ATOM 407 CB CYS A 32 -4.677 -4.679 13.715 1.00 0.00 C ATOM 408 SG CYS A 32 -3.382 -3.844 14.666 1.00 0.00 S ATOM 0 H CYS A 32 -6.682 -5.305 12.510 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.348 -4.246 15.027 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.711 -5.737 13.976 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.456 -4.621 12.649 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.234 -4.402 14.419 1.00 0.00 H new ATOM 413 N ARG A 33 -5.852 -2.000 12.654 1.00 0.00 N ATOM 414 CA ARG A 33 -5.761 -0.577 12.349 1.00 0.00 C ATOM 415 C ARG A 33 -7.152 0.053 12.192 1.00 0.00 C ATOM 416 O ARG A 33 -7.244 1.205 11.777 1.00 0.00 O ATOM 417 CB ARG A 33 -4.906 -0.387 11.086 1.00 0.00 C ATOM 418 CG ARG A 33 -3.538 -1.095 11.110 1.00 0.00 C ATOM 419 CD ARG A 33 -2.534 -0.531 12.125 1.00 0.00 C ATOM 420 NE ARG A 33 -2.930 -0.874 13.503 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.922 -0.050 14.562 1.00 0.00 C ATOM 422 NH1 ARG A 33 -2.208 1.080 14.529 1.00 0.00 N ATOM 423 NH2 ARG A 33 -3.645 -0.353 15.644 1.00 0.00 N ATOM 0 H ARG A 33 -5.887 -2.586 11.820 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.281 -0.062 13.181 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.470 -0.749 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.743 0.680 10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.696 -2.151 11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.098 -1.036 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.540 -0.928 11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.473 0.552 12.019 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.241 -1.832 13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.667 1.318 13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.204 1.704 15.336 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.201 -1.208 15.663 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.641 0.271 16.451 1.00 0.00 H new ATOM 434 N LYS A 34 -8.205 -0.703 12.530 1.00 0.00 N ATOM 435 CA LYS A 34 -9.625 -0.396 12.408 1.00 0.00 C ATOM 436 C LYS A 34 -9.913 0.591 11.280 1.00 0.00 C ATOM 437 O LYS A 34 -10.499 1.653 11.488 1.00 0.00 O ATOM 438 CB LYS A 34 -10.212 0.001 13.774 1.00 0.00 C ATOM 439 CG LYS A 34 -11.647 -0.516 13.978 1.00 0.00 C ATOM 440 CD LYS A 34 -12.612 -0.051 12.874 1.00 0.00 C ATOM 441 CE LYS A 34 -14.065 -0.489 13.106 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.691 0.234 14.230 1.00 0.00 N ATOM 0 H LYS A 34 -8.064 -1.630 12.932 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.152 -1.301 12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.574 -0.390 14.566 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.205 1.087 13.866 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.635 -1.606 14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.017 -0.175 14.945 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.575 1.036 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.271 -0.443 11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.644 -0.318 12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.093 -1.560 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.726 0.174 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.390 -0.194 15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.399 1.232 14.207 1.00 0.00 H new ATOM 452 N MET A 35 -9.537 0.216 10.059 1.00 0.00 N ATOM 453 CA MET A 35 -9.732 1.101 8.919 1.00 0.00 C ATOM 454 C MET A 35 -11.207 1.133 8.511 1.00 0.00 C ATOM 455 O MET A 35 -11.662 2.090 7.884 1.00 0.00 O ATOM 456 CB MET A 35 -8.820 0.702 7.754 1.00 0.00 C ATOM 457 CG MET A 35 -7.356 0.588 8.207 1.00 0.00 C ATOM 458 SD MET A 35 -6.102 0.411 6.909 1.00 0.00 S ATOM 459 CE MET A 35 -6.241 1.998 6.057 1.00 0.00 C ATOM 0 H MET A 35 -9.103 -0.680 9.838 1.00 0.00 H new ATOM 0 HA MET A 35 -9.452 2.113 9.211 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.150 -0.251 7.340 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.900 1.441 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.113 1.474 8.793 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.274 -0.269 8.876 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.397 2.122 5.378 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.171 2.026 5.489 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.239 2.805 6.789 1.00 0.00 H new ATOM 467 N THR A 36 -11.976 0.100 8.865 1.00 0.00 N ATOM 468 CA THR A 36 -13.365 -0.098 8.479 1.00 0.00 C ATOM 469 C THR A 36 -14.330 0.841 9.231 1.00 0.00 C ATOM 470 O THR A 36 -15.451 0.456 9.562 1.00 0.00 O ATOM 471 CB THR A 36 -13.677 -1.583 8.732 1.00 0.00 C ATOM 472 OG1 THR A 36 -13.244 -1.927 10.037 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.912 -2.479 7.752 1.00 0.00 C ATOM 0 H THR A 36 -11.625 -0.653 9.456 1.00 0.00 H new ATOM 0 HA THR A 36 -13.509 0.154 7.428 1.00 0.00 H new ATOM 0 HB THR A 36 -14.750 -1.730 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.440 -2.872 10.208 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.150 -3.524 7.952 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.200 -2.230 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.841 -2.321 7.875 1.00 0.00 H new ATOM 481 N GLN A 37 -13.925 2.087 9.492 1.00 0.00 N ATOM 482 CA GLN A 37 -14.791 3.114 10.050 1.00 0.00 C ATOM 483 C GLN A 37 -15.790 3.546 8.980 1.00 0.00 C ATOM 484 O GLN A 37 -15.404 4.141 7.976 1.00 0.00 O ATOM 485 CB GLN A 37 -13.952 4.318 10.505 1.00 0.00 C ATOM 486 CG GLN A 37 -13.151 4.032 11.781 1.00 0.00 C ATOM 487 CD GLN A 37 -14.056 3.896 13.001 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.295 2.795 13.496 1.00 0.00 O ATOM 489 NE2 GLN A 37 -14.590 5.009 13.492 1.00 0.00 N ATOM 0 H GLN A 37 -12.973 2.409 9.317 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.325 2.719 10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.266 4.601 9.706 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.610 5.170 10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.576 3.115 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.435 4.836 11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.376 5.910 13.063 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.214 4.963 14.298 1.00 0.00 H new ATOM 496 N GLY A 38 -17.074 3.231 9.158 1.00 0.00 N ATOM 497 CA GLY A 38 -18.145 3.770 8.327 1.00 0.00 C ATOM 498 C GLY A 38 -18.222 3.156 6.926 1.00 0.00 C ATOM 499 O GLY A 38 -19.271 3.234 6.283 1.00 0.00 O ATOM 0 H GLY A 38 -17.398 2.593 9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.097 3.612 8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.009 4.847 8.232 1.00 0.00 H new ATOM 502 N LYS A 39 -17.124 2.599 6.412 1.00 0.00 N ATOM 503 CA LYS A 39 -17.056 1.882 5.152 1.00 0.00 C ATOM 504 C LYS A 39 -15.700 1.186 5.059 1.00 0.00 C ATOM 505 O LYS A 39 -14.705 1.648 5.626 1.00 0.00 O ATOM 506 CB LYS A 39 -17.355 2.790 3.947 1.00 0.00 C ATOM 507 CG LYS A 39 -16.707 4.186 4.005 1.00 0.00 C ATOM 508 CD LYS A 39 -17.487 5.217 3.171 1.00 0.00 C ATOM 509 CE LYS A 39 -18.637 5.902 3.934 1.00 0.00 C ATOM 510 NZ LYS A 39 -19.750 4.994 4.291 1.00 0.00 N ATOM 0 H LYS A 39 -16.223 2.641 6.888 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.837 1.123 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.018 2.287 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.435 2.911 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.658 4.520 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.682 4.125 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.795 5.981 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.894 4.722 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.239 6.348 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.028 6.717 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.570 5.555 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.012 4.423 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.451 4.365 5.064 1.00 0.00 H new ATOM 520 N CYS A 40 -15.670 0.064 4.345 1.00 0.00 N ATOM 521 CA CYS A 40 -14.506 -0.798 4.188 1.00 0.00 C ATOM 522 C CYS A 40 -13.661 -0.257 3.018 1.00 0.00 C ATOM 523 O CYS A 40 -13.898 0.886 2.612 1.00 0.00 O ATOM 524 CB CYS A 40 -15.047 -2.228 4.084 1.00 0.00 C ATOM 525 SG CYS A 40 -13.869 -3.576 4.229 1.00 0.00 S ATOM 0 H CYS A 40 -16.487 -0.281 3.842 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.805 -0.809 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.803 -2.358 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.554 -2.326 3.124 1.00 0.00 H new ATOM 529 N LYS A 41 -12.559 -0.891 2.603 1.00 0.00 N ATOM 530 CA LYS A 41 -11.747 -0.401 1.484 1.00 0.00 C ATOM 531 C LYS A 41 -11.729 -1.452 0.370 1.00 0.00 C ATOM 532 O LYS A 41 -11.097 -2.484 0.555 1.00 0.00 O ATOM 533 CB LYS A 41 -10.317 -0.062 1.941 1.00 0.00 C ATOM 534 CG LYS A 41 -10.127 1.407 2.366 1.00 0.00 C ATOM 535 CD LYS A 41 -9.930 1.595 3.876 1.00 0.00 C ATOM 536 CE LYS A 41 -11.149 1.244 4.737 1.00 0.00 C ATOM 537 NZ LYS A 41 -12.330 2.097 4.471 1.00 0.00 N ATOM 0 H LYS A 41 -12.208 -1.749 3.028 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.192 0.518 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.051 -0.709 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.624 -0.288 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.264 1.818 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.996 1.983 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.089 0.981 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.657 2.633 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.418 0.202 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.877 1.332 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.099 1.838 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.076 3.095 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.645 1.957 3.490 1.00 0.00 H new ATOM 547 N PRO A 42 -12.341 -1.199 -0.802 1.00 0.00 N ATOM 548 CA PRO A 42 -12.464 -2.212 -1.838 1.00 0.00 C ATOM 549 C PRO A 42 -11.103 -2.711 -2.324 1.00 0.00 C ATOM 550 O PRO A 42 -10.997 -3.873 -2.713 1.00 0.00 O ATOM 551 CB PRO A 42 -13.304 -1.583 -2.953 1.00 0.00 C ATOM 552 CG PRO A 42 -13.122 -0.081 -2.746 1.00 0.00 C ATOM 553 CD PRO A 42 -12.961 0.045 -1.231 1.00 0.00 C ATOM 0 HA PRO A 42 -12.953 -3.108 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.958 -1.895 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.352 -1.873 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.248 0.296 -3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.982 0.483 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.340 0.903 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.925 0.191 -0.745 1.00 0.00 H new ATOM 558 N VAL A 43 -10.082 -1.843 -2.294 1.00 0.00 N ATOM 559 CA VAL A 43 -8.689 -2.153 -2.589 1.00 0.00 C ATOM 560 C VAL A 43 -7.795 -1.427 -1.577 1.00 0.00 C ATOM 561 O VAL A 43 -8.111 -0.301 -1.189 1.00 0.00 O ATOM 562 CB VAL A 43 -8.326 -1.733 -4.028 1.00 0.00 C ATOM 563 CG1 VAL A 43 -8.872 -2.730 -5.055 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.804 -0.318 -4.387 1.00 0.00 C ATOM 0 H VAL A 43 -10.219 -0.862 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.535 -3.229 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.237 -1.731 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.599 -2.405 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.449 -3.716 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.958 -2.779 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.516 -0.086 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.889 -0.266 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.347 0.403 -3.710 1.00 0.00 H new ATOM 574 N ASN A 44 -6.684 -2.046 -1.160 1.00 0.00 N ATOM 575 CA ASN A 44 -5.621 -1.410 -0.388 1.00 0.00 C ATOM 576 C ASN A 44 -4.341 -2.240 -0.483 1.00 0.00 C ATOM 577 O ASN A 44 -4.303 -3.361 0.018 1.00 0.00 O ATOM 578 CB ASN A 44 -6.008 -1.267 1.089 1.00 0.00 C ATOM 579 CG ASN A 44 -4.957 -0.445 1.837 1.00 0.00 C ATOM 580 OD1 ASN A 44 -4.715 0.708 1.498 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.318 -1.007 2.858 1.00 0.00 N ATOM 0 H ASN A 44 -6.499 -3.029 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.460 -0.416 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.982 -0.785 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.100 -2.253 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.614 -0.478 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.532 -1.967 3.127 1.00 0.00 H new ATOM 587 N THR A 45 -3.283 -1.711 -1.095 1.00 0.00 N ATOM 588 CA THR A 45 -2.046 -2.460 -1.243 1.00 0.00 C ATOM 589 C THR A 45 -1.215 -2.407 0.040 1.00 0.00 C ATOM 590 O THR A 45 -0.730 -1.339 0.419 1.00 0.00 O ATOM 591 CB THR A 45 -1.272 -1.954 -2.461 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.168 -1.752 -3.538 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.190 -2.957 -2.876 1.00 0.00 C ATOM 0 H THR A 45 -3.261 -0.772 -1.493 1.00 0.00 H new ATOM 0 HA THR A 45 -2.283 -3.510 -1.415 1.00 0.00 H new ATOM 0 HB THR A 45 -0.788 -1.013 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.835 -2.470 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.347 -2.575 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.509 -3.100 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.655 -3.910 -3.128 1.00 0.00 H new ATOM 601 N PHE A 46 -1.034 -3.552 0.708 1.00 0.00 N ATOM 602 CA PHE A 46 -0.210 -3.614 1.906 1.00 0.00 C ATOM 603 C PHE A 46 1.233 -3.830 1.462 1.00 0.00 C ATOM 604 O PHE A 46 1.455 -4.655 0.578 1.00 0.00 O ATOM 605 CB PHE A 46 -0.572 -4.815 2.785 1.00 0.00 C ATOM 606 CG PHE A 46 -1.909 -4.885 3.489 1.00 0.00 C ATOM 607 CD1 PHE A 46 -3.041 -4.180 3.038 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.051 -5.836 4.514 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.290 -4.393 3.644 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.298 -6.049 5.113 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.417 -5.319 4.687 1.00 0.00 C ATOM 0 H PHE A 46 -1.449 -4.443 0.435 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.360 -2.693 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.492 -5.705 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.198 -4.894 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.949 -3.475 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.194 -6.405 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.154 -3.841 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.399 -6.777 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.375 -5.471 5.162 1.00 0.00 H new ATOM 620 N VAL A 47 2.209 -3.163 2.085 1.00 0.00 N ATOM 621 CA VAL A 47 3.623 -3.459 1.838 1.00 0.00 C ATOM 622 C VAL A 47 4.141 -4.435 2.895 1.00 0.00 C ATOM 623 O VAL A 47 3.769 -4.342 4.064 1.00 0.00 O ATOM 624 CB VAL A 47 4.466 -2.175 1.744 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.923 -2.508 1.393 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.939 -1.231 0.656 1.00 0.00 C ATOM 0 H VAL A 47 2.047 -2.417 2.762 1.00 0.00 H new ATOM 0 HA VAL A 47 3.718 -3.943 0.866 1.00 0.00 H new ATOM 0 HB VAL A 47 4.402 -1.691 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.502 -1.587 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.345 -3.151 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.957 -3.023 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.559 -0.336 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.972 -1.735 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.911 -0.951 0.884 1.00 0.00 H new ATOM 636 N HIS A 48 4.987 -5.378 2.465 1.00 0.00 N ATOM 637 CA HIS A 48 5.567 -6.433 3.278 1.00 0.00 C ATOM 638 C HIS A 48 7.086 -6.421 3.096 1.00 0.00 C ATOM 639 O HIS A 48 7.623 -7.211 2.332 1.00 0.00 O ATOM 640 CB HIS A 48 4.941 -7.784 2.873 1.00 0.00 C ATOM 641 CG HIS A 48 4.099 -8.379 3.965 1.00 0.00 C ATOM 642 ND1 HIS A 48 4.534 -9.303 4.895 1.00 0.00 N ATOM 643 CD2 HIS A 48 2.867 -7.932 4.343 1.00 0.00 C ATOM 644 CE1 HIS A 48 3.578 -9.411 5.835 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.556 -8.596 5.510 1.00 0.00 N ATOM 0 H HIS A 48 5.295 -5.421 1.494 1.00 0.00 H new ATOM 0 HA HIS A 48 5.356 -6.274 4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.329 -7.644 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.734 -8.483 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.257 -7.203 3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.623 -10.047 6.707 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.692 -8.488 6.041 1.00 0.00 H new ATOM 653 N GLU A 49 7.788 -5.537 3.810 1.00 0.00 N ATOM 654 CA GLU A 49 9.243 -5.538 3.837 1.00 0.00 C ATOM 655 C GLU A 49 9.705 -4.748 5.071 1.00 0.00 C ATOM 656 O GLU A 49 8.971 -4.691 6.065 1.00 0.00 O ATOM 657 CB GLU A 49 9.788 -4.986 2.502 1.00 0.00 C ATOM 658 CG GLU A 49 11.014 -5.783 2.032 1.00 0.00 C ATOM 659 CD GLU A 49 10.639 -7.074 1.310 1.00 0.00 C ATOM 660 OE1 GLU A 49 9.957 -7.001 0.265 1.00 0.00 O ATOM 661 OE2 GLU A 49 11.125 -8.152 1.721 1.00 0.00 O ATOM 0 H GLU A 49 7.362 -4.807 4.381 1.00 0.00 H new ATOM 0 HA GLU A 49 9.644 -6.548 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.008 -5.030 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.057 -3.937 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.613 -5.161 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.638 -6.022 2.893 1.00 0.00 H new ATOM 666 N SER A 50 10.876 -4.110 4.994 1.00 0.00 N ATOM 667 CA SER A 50 11.476 -3.264 6.017 1.00 0.00 C ATOM 668 C SER A 50 10.938 -1.826 5.949 1.00 0.00 C ATOM 669 O SER A 50 10.972 -1.189 4.895 1.00 0.00 O ATOM 670 CB SER A 50 13.000 -3.261 5.800 1.00 0.00 C ATOM 671 OG SER A 50 13.380 -4.229 4.837 1.00 0.00 O ATOM 0 H SER A 50 11.463 -4.178 4.162 1.00 0.00 H new ATOM 0 HA SER A 50 11.223 -3.660 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.322 -2.272 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.505 -3.465 6.744 1.00 0.00 H new ATOM 0 HG SER A 50 13.621 -3.780 4.000 1.00 0.00 H new ATOM 676 N LEU A 51 10.495 -1.273 7.083 1.00 0.00 N ATOM 677 CA LEU A 51 10.023 0.109 7.176 1.00 0.00 C ATOM 678 C LEU A 51 11.052 1.091 6.598 1.00 0.00 C ATOM 679 O LEU A 51 10.734 1.947 5.771 1.00 0.00 O ATOM 680 CB LEU A 51 9.694 0.423 8.642 1.00 0.00 C ATOM 681 CG LEU A 51 9.053 1.805 8.852 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.707 1.921 8.128 1.00 0.00 C ATOM 683 CD2 LEU A 51 8.837 2.032 10.353 1.00 0.00 C ATOM 0 H LEU A 51 10.454 -1.778 7.968 1.00 0.00 H new ATOM 0 HA LEU A 51 9.119 0.225 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.019 -0.342 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.609 0.364 9.231 1.00 0.00 H new ATOM 0 HG LEU A 51 9.725 2.558 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.285 2.911 8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.855 1.770 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.022 1.164 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.383 3.010 10.511 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.179 1.258 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.796 1.990 10.869 1.00 0.00 H new ATOM 694 N ALA A 52 12.311 0.942 7.017 1.00 0.00 N ATOM 695 CA ALA A 52 13.410 1.770 6.545 1.00 0.00 C ATOM 696 C ALA A 52 13.565 1.706 5.023 1.00 0.00 C ATOM 697 O ALA A 52 13.960 2.696 4.414 1.00 0.00 O ATOM 698 CB ALA A 52 14.705 1.337 7.237 1.00 0.00 C ATOM 0 H ALA A 52 12.593 0.237 7.698 1.00 0.00 H new ATOM 0 HA ALA A 52 13.188 2.807 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.530 1.956 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.598 1.454 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.910 0.292 7.004 1.00 0.00 H new ATOM 704 N ASP A 53 13.255 0.565 4.395 1.00 0.00 N ATOM 705 CA ASP A 53 13.351 0.454 2.947 1.00 0.00 C ATOM 706 C ASP A 53 12.284 1.338 2.319 1.00 0.00 C ATOM 707 O ASP A 53 12.609 2.162 1.472 1.00 0.00 O ATOM 708 CB ASP A 53 13.267 -1.000 2.462 1.00 0.00 C ATOM 709 CG ASP A 53 14.624 -1.680 2.516 1.00 0.00 C ATOM 710 OD1 ASP A 53 15.494 -1.264 1.719 1.00 0.00 O ATOM 711 OD2 ASP A 53 14.781 -2.593 3.354 1.00 0.00 O ATOM 0 H ASP A 53 12.939 -0.282 4.867 1.00 0.00 H new ATOM 0 HA ASP A 53 14.334 0.801 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.557 -1.551 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.887 -1.023 1.441 1.00 0.00 H new ATOM 715 N VAL A 54 11.030 1.229 2.767 1.00 0.00 N ATOM 716 CA VAL A 54 9.977 2.163 2.364 1.00 0.00 C ATOM 717 C VAL A 54 10.438 3.615 2.530 1.00 0.00 C ATOM 718 O VAL A 54 10.304 4.416 1.603 1.00 0.00 O ATOM 719 CB VAL A 54 8.664 1.829 3.095 1.00 0.00 C ATOM 720 CG1 VAL A 54 7.686 3.007 3.150 1.00 0.00 C ATOM 721 CG2 VAL A 54 7.984 0.680 2.352 1.00 0.00 C ATOM 0 H VAL A 54 10.720 0.501 3.411 1.00 0.00 H new ATOM 0 HA VAL A 54 9.770 2.048 1.300 1.00 0.00 H new ATOM 0 HB VAL A 54 8.920 1.569 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.782 2.705 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.151 3.842 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.429 3.314 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.050 0.425 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.775 0.983 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.641 -0.189 2.347 1.00 0.00 H new ATOM 731 N LYS A 55 11.023 3.959 3.680 1.00 0.00 N ATOM 732 CA LYS A 55 11.562 5.300 3.859 1.00 0.00 C ATOM 733 C LYS A 55 12.642 5.621 2.809 1.00 0.00 C ATOM 734 O LYS A 55 12.712 6.742 2.301 1.00 0.00 O ATOM 735 CB LYS A 55 12.076 5.488 5.288 1.00 0.00 C ATOM 736 CG LYS A 55 12.461 6.959 5.517 1.00 0.00 C ATOM 737 CD LYS A 55 13.989 7.095 5.617 1.00 0.00 C ATOM 738 CE LYS A 55 14.463 8.556 5.531 1.00 0.00 C ATOM 739 NZ LYS A 55 14.358 9.075 4.150 1.00 0.00 N ATOM 0 H LYS A 55 11.132 3.339 4.483 1.00 0.00 H new ATOM 0 HA LYS A 55 10.754 6.014 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.309 5.189 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.940 4.846 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.086 7.573 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.995 7.327 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.327 6.663 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.454 6.519 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.865 9.174 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.496 8.626 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.669 10.067 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.961 8.509 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.370 9.014 3.831 1.00 0.00 H new ATOM 749 N ALA A 56 13.510 4.654 2.506 1.00 0.00 N ATOM 750 CA ALA A 56 14.567 4.797 1.516 1.00 0.00 C ATOM 751 C ALA A 56 13.997 5.017 0.113 1.00 0.00 C ATOM 752 O ALA A 56 14.512 5.868 -0.604 1.00 0.00 O ATOM 753 CB ALA A 56 15.521 3.600 1.557 1.00 0.00 C ATOM 0 H ALA A 56 13.494 3.737 2.952 1.00 0.00 H new ATOM 0 HA ALA A 56 15.142 5.687 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.302 3.731 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.975 3.530 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.966 2.685 1.347 1.00 0.00 H new ATOM 759 N VAL A 57 12.935 4.302 -0.276 1.00 0.00 N ATOM 760 CA VAL A 57 12.276 4.448 -1.574 1.00 0.00 C ATOM 761 C VAL A 57 11.981 5.923 -1.861 1.00 0.00 C ATOM 762 O VAL A 57 12.376 6.451 -2.897 1.00 0.00 O ATOM 763 CB VAL A 57 10.997 3.593 -1.664 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.256 3.902 -2.973 1.00 0.00 C ATOM 765 CG2 VAL A 57 11.317 2.092 -1.610 1.00 0.00 C ATOM 0 H VAL A 57 12.503 3.593 0.316 1.00 0.00 H new ATOM 0 HA VAL A 57 12.959 4.080 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 57 10.370 3.843 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.353 3.295 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.986 4.958 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.903 3.673 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.391 1.520 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.967 1.828 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.820 1.861 -0.671 1.00 0.00 H new ATOM 775 N CYS A 58 11.311 6.603 -0.929 1.00 0.00 N ATOM 776 CA CYS A 58 11.023 8.036 -1.052 1.00 0.00 C ATOM 777 C CYS A 58 12.297 8.880 -1.191 1.00 0.00 C ATOM 778 O CYS A 58 12.267 9.987 -1.712 1.00 0.00 O ATOM 779 CB CYS A 58 10.118 8.465 0.105 1.00 0.00 C ATOM 780 SG CYS A 58 10.016 10.210 0.586 1.00 0.00 S ATOM 0 H CYS A 58 10.954 6.181 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 58 10.483 8.218 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.107 8.137 -0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.432 7.905 0.986 1.00 0.00 H new ATOM 784 N SER A 59 13.450 8.352 -0.791 1.00 0.00 N ATOM 785 CA SER A 59 14.738 8.998 -0.977 1.00 0.00 C ATOM 786 C SER A 59 15.519 8.365 -2.143 1.00 0.00 C ATOM 787 O SER A 59 16.749 8.402 -2.122 1.00 0.00 O ATOM 788 CB SER A 59 15.503 8.869 0.352 1.00 0.00 C ATOM 789 OG SER A 59 16.249 10.036 0.637 1.00 0.00 O ATOM 0 H SER A 59 13.513 7.449 -0.321 1.00 0.00 H new ATOM 0 HA SER A 59 14.606 10.048 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.798 8.680 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.173 8.010 0.305 1.00 0.00 H new ATOM 0 HG SER A 59 16.873 10.213 -0.098 1.00 0.00 H new ATOM 794 N GLN A 60 14.848 7.752 -3.132 1.00 0.00 N ATOM 795 CA GLN A 60 15.504 6.998 -4.204 1.00 0.00 C ATOM 796 C GLN A 60 15.218 7.620 -5.587 1.00 0.00 C ATOM 797 O GLN A 60 15.836 8.631 -5.909 1.00 0.00 O ATOM 798 CB GLN A 60 15.196 5.492 -4.041 1.00 0.00 C ATOM 799 CG GLN A 60 16.430 4.618 -3.783 1.00 0.00 C ATOM 800 CD GLN A 60 16.895 4.589 -2.325 1.00 0.00 C ATOM 801 OE1 GLN A 60 16.856 3.537 -1.691 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.363 5.704 -1.772 1.00 0.00 N ATOM 0 H GLN A 60 13.831 7.768 -3.207 1.00 0.00 H new ATOM 0 HA GLN A 60 16.589 7.072 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.496 5.364 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.695 5.136 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.210 3.599 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.250 4.977 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.389 6.569 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.696 5.694 -0.808 1.00 0.00 H new ATOM 809 N LYS A 61 14.325 7.058 -6.420 1.00 0.00 N ATOM 810 CA LYS A 61 14.054 7.571 -7.766 1.00 0.00 C ATOM 811 C LYS A 61 12.644 8.152 -7.855 1.00 0.00 C ATOM 812 O LYS A 61 11.676 7.393 -7.840 1.00 0.00 O ATOM 813 CB LYS A 61 14.188 6.465 -8.820 1.00 0.00 C ATOM 814 CG LYS A 61 15.617 5.937 -9.011 1.00 0.00 C ATOM 815 CD LYS A 61 16.022 4.812 -8.050 1.00 0.00 C ATOM 816 CE LYS A 61 15.532 3.413 -8.457 1.00 0.00 C ATOM 817 NZ LYS A 61 14.059 3.256 -8.469 1.00 0.00 N ATOM 0 H LYS A 61 13.773 6.236 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 61 14.789 8.352 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.541 5.633 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.824 6.844 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.722 5.577 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.314 6.766 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.109 4.793 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.635 5.043 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.917 3.182 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.957 2.680 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.817 2.247 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.649 3.768 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.676 3.643 -9.355 1.00 0.00 H new ATOM 827 N LYS A 62 12.536 9.477 -7.994 1.00 0.00 N ATOM 828 CA LYS A 62 11.295 10.170 -8.318 1.00 0.00 C ATOM 829 C LYS A 62 10.822 9.684 -9.696 1.00 0.00 C ATOM 830 O LYS A 62 11.571 9.795 -10.664 1.00 0.00 O ATOM 831 CB LYS A 62 11.567 11.689 -8.321 1.00 0.00 C ATOM 832 CG LYS A 62 10.393 12.572 -7.871 1.00 0.00 C ATOM 833 CD LYS A 62 9.111 12.504 -8.710 1.00 0.00 C ATOM 834 CE LYS A 62 9.284 12.939 -10.170 1.00 0.00 C ATOM 835 NZ LYS A 62 7.985 12.928 -10.876 1.00 0.00 N ATOM 0 H LYS A 62 13.330 10.108 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 62 10.516 9.961 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.419 11.889 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.857 11.987 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.141 12.304 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.734 13.607 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.733 11.482 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.353 13.133 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.716 13.939 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.983 12.271 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.146 12.820 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.409 12.134 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.485 13.822 -10.697 1.00 0.00 H new ATOM 845 N VAL A 63 9.598 9.161 -9.799 1.00 0.00 N ATOM 846 CA VAL A 63 8.973 8.773 -11.060 1.00 0.00 C ATOM 847 C VAL A 63 7.695 9.580 -11.271 1.00 0.00 C ATOM 848 O VAL A 63 7.279 10.366 -10.419 1.00 0.00 O ATOM 849 CB VAL A 63 8.712 7.255 -11.112 1.00 0.00 C ATOM 850 CG1 VAL A 63 10.040 6.490 -11.082 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.773 6.760 -10.002 1.00 0.00 C ATOM 0 H VAL A 63 9.003 8.993 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 63 9.657 8.998 -11.878 1.00 0.00 H new ATOM 0 HB VAL A 63 8.198 7.057 -12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.844 5.418 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.645 6.778 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.577 6.729 -10.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.632 5.683 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.210 6.984 -9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.809 7.261 -10.091 1.00 0.00 H new ATOM 861 N THR A 64 7.087 9.435 -12.442 1.00 0.00 N ATOM 862 CA THR A 64 5.784 9.998 -12.738 1.00 0.00 C ATOM 863 C THR A 64 4.741 9.023 -12.190 1.00 0.00 C ATOM 864 O THR A 64 4.812 7.830 -12.479 1.00 0.00 O ATOM 865 CB THR A 64 5.692 10.188 -14.257 1.00 0.00 C ATOM 866 OG1 THR A 64 6.847 10.885 -14.686 1.00 0.00 O ATOM 867 CG2 THR A 64 4.462 10.999 -14.674 1.00 0.00 C ATOM 0 H THR A 64 7.494 8.916 -13.220 1.00 0.00 H new ATOM 0 HA THR A 64 5.615 10.971 -12.276 1.00 0.00 H new ATOM 0 HB THR A 64 5.612 9.201 -14.713 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.809 11.016 -15.657 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.446 11.104 -15.759 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.559 10.485 -14.345 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.505 11.987 -14.215 1.00 0.00 H new ATOM 875 N CYS A 65 3.802 9.511 -11.372 1.00 0.00 N ATOM 876 CA CYS A 65 2.668 8.712 -10.916 1.00 0.00 C ATOM 877 C CYS A 65 1.796 8.336 -12.115 1.00 0.00 C ATOM 878 O CYS A 65 2.043 8.790 -13.232 1.00 0.00 O ATOM 879 CB CYS A 65 1.822 9.521 -9.925 1.00 0.00 C ATOM 880 SG CYS A 65 2.625 10.104 -8.422 1.00 0.00 S ATOM 0 H CYS A 65 3.809 10.465 -11.011 1.00 0.00 H new ATOM 0 HA CYS A 65 3.043 7.812 -10.428 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.426 10.389 -10.452 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.969 8.908 -9.634 1.00 0.00 H new ATOM 884 N LYS A 66 0.705 7.599 -11.894 1.00 0.00 N ATOM 885 CA LYS A 66 -0.252 7.253 -12.947 1.00 0.00 C ATOM 886 C LYS A 66 -1.113 8.445 -13.420 1.00 0.00 C ATOM 887 O LYS A 66 -2.264 8.255 -13.808 1.00 0.00 O ATOM 888 CB LYS A 66 -1.103 6.065 -12.472 1.00 0.00 C ATOM 889 CG LYS A 66 -2.060 6.422 -11.320 1.00 0.00 C ATOM 890 CD LYS A 66 -2.881 5.200 -10.885 1.00 0.00 C ATOM 891 CE LYS A 66 -2.096 4.237 -9.986 1.00 0.00 C ATOM 892 NZ LYS A 66 -1.780 4.840 -8.679 1.00 0.00 N ATOM 0 H LYS A 66 0.460 7.225 -10.977 1.00 0.00 H new ATOM 0 HA LYS A 66 0.311 6.964 -13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.684 5.684 -13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.443 5.260 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.489 6.801 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.731 7.221 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.771 5.538 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.222 4.664 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.676 3.327 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.171 3.947 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.150 4.206 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.308 5.755 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.659 4.985 -8.142 1.00 0.00 H new ATOM 902 N ASP A 67 -0.564 9.662 -13.389 1.00 0.00 N ATOM 903 CA ASP A 67 -1.198 10.923 -13.748 1.00 0.00 C ATOM 904 C ASP A 67 -0.101 11.976 -13.931 1.00 0.00 C ATOM 905 O ASP A 67 -0.053 12.677 -14.937 1.00 0.00 O ATOM 906 CB ASP A 67 -2.291 11.330 -12.734 1.00 0.00 C ATOM 907 CG ASP A 67 -1.840 11.891 -11.385 1.00 0.00 C ATOM 908 OD1 ASP A 67 -0.700 11.603 -10.948 1.00 0.00 O ATOM 909 OD2 ASP A 67 -2.649 12.641 -10.803 1.00 0.00 O ATOM 0 H ASP A 67 0.402 9.796 -13.091 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.734 10.821 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.929 12.075 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.912 10.455 -12.542 1.00 0.00 H new ATOM 913 N GLY A 68 0.821 12.022 -12.968 1.00 0.00 N ATOM 914 CA GLY A 68 1.969 12.905 -12.905 1.00 0.00 C ATOM 915 C GLY A 68 1.759 14.056 -11.922 1.00 0.00 C ATOM 916 O GLY A 68 2.523 15.018 -11.962 1.00 0.00 O ATOM 0 H GLY A 68 0.775 11.399 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.849 12.333 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.169 13.309 -13.897 1.00 0.00 H new ATOM 919 N GLN A 69 0.761 13.971 -11.033 1.00 0.00 N ATOM 920 CA GLN A 69 0.493 15.026 -10.066 1.00 0.00 C ATOM 921 C GLN A 69 1.380 14.829 -8.837 1.00 0.00 C ATOM 922 O GLN A 69 2.242 15.654 -8.542 1.00 0.00 O ATOM 923 CB GLN A 69 -1.001 15.043 -9.714 1.00 0.00 C ATOM 924 CG GLN A 69 -1.377 16.223 -8.809 1.00 0.00 C ATOM 925 CD GLN A 69 -1.142 17.585 -9.457 1.00 0.00 C ATOM 926 OE1 GLN A 69 -0.450 18.431 -8.904 1.00 0.00 O ATOM 927 NE2 GLN A 69 -1.718 17.814 -10.634 1.00 0.00 N ATOM 0 H GLN A 69 0.126 13.175 -10.969 1.00 0.00 H new ATOM 0 HA GLN A 69 0.734 16.000 -10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.587 15.092 -10.632 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.265 14.109 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.428 16.138 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.798 16.163 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.289 17.091 -11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.588 18.713 -11.099 1.00 0.00 H new ATOM 934 N THR A 70 1.143 13.753 -8.088 1.00 0.00 N ATOM 935 CA THR A 70 1.811 13.519 -6.823 1.00 0.00 C ATOM 936 C THR A 70 3.293 13.159 -7.007 1.00 0.00 C ATOM 937 O THR A 70 3.761 12.820 -8.094 1.00 0.00 O ATOM 938 CB THR A 70 1.001 12.494 -6.011 1.00 0.00 C ATOM 939 OG1 THR A 70 0.116 11.760 -6.839 1.00 0.00 O ATOM 940 CG2 THR A 70 0.122 13.210 -4.980 1.00 0.00 C ATOM 0 H THR A 70 0.480 13.022 -8.348 1.00 0.00 H new ATOM 0 HA THR A 70 1.839 14.442 -6.243 1.00 0.00 H new ATOM 0 HB THR A 70 1.725 11.831 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.632 11.171 -7.428 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.446 12.473 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.752 13.785 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.566 13.882 -5.493 1.00 0.00 H new ATOM 948 N ASN A 71 4.056 13.253 -5.918 1.00 0.00 N ATOM 949 CA ASN A 71 5.500 13.065 -5.924 1.00 0.00 C ATOM 950 C ASN A 71 5.835 11.586 -5.724 1.00 0.00 C ATOM 951 O ASN A 71 6.301 11.195 -4.656 1.00 0.00 O ATOM 952 CB ASN A 71 6.088 13.948 -4.821 1.00 0.00 C ATOM 953 CG ASN A 71 7.607 13.851 -4.723 1.00 0.00 C ATOM 954 OD1 ASN A 71 8.291 13.665 -5.724 1.00 0.00 O ATOM 955 ND2 ASN A 71 8.146 14.000 -3.518 1.00 0.00 N ATOM 0 H ASN A 71 3.679 13.465 -4.994 1.00 0.00 H new ATOM 0 HA ASN A 71 5.934 13.357 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.807 14.985 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.649 13.664 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.159 13.961 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.547 14.153 -2.707 1.00 0.00 H new ATOM 961 N CYS A 72 5.557 10.745 -6.725 1.00 0.00 N ATOM 962 CA CYS A 72 5.800 9.308 -6.597 1.00 0.00 C ATOM 963 C CYS A 72 7.288 8.986 -6.686 1.00 0.00 C ATOM 964 O CYS A 72 7.977 9.517 -7.551 1.00 0.00 O ATOM 965 CB CYS A 72 5.065 8.489 -7.662 1.00 0.00 C ATOM 966 SG CYS A 72 3.278 8.392 -7.472 1.00 0.00 S ATOM 0 H CYS A 72 5.168 11.032 -7.623 1.00 0.00 H new ATOM 0 HA CYS A 72 5.415 9.032 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.286 8.917 -8.640 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.468 7.476 -7.658 1.00 0.00 H new ATOM 970 N TYR A 73 7.777 8.078 -5.839 1.00 0.00 N ATOM 971 CA TYR A 73 9.097 7.477 -5.943 1.00 0.00 C ATOM 972 C TYR A 73 8.965 5.973 -6.165 1.00 0.00 C ATOM 973 O TYR A 73 8.170 5.328 -5.480 1.00 0.00 O ATOM 974 CB TYR A 73 9.898 7.720 -4.666 1.00 0.00 C ATOM 975 CG TYR A 73 10.706 8.999 -4.665 1.00 0.00 C ATOM 976 CD1 TYR A 73 10.064 10.237 -4.551 1.00 0.00 C ATOM 977 CD2 TYR A 73 12.107 8.953 -4.749 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.820 11.411 -4.422 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.865 10.134 -4.708 1.00 0.00 C ATOM 980 CZ TYR A 73 12.220 11.363 -4.501 1.00 0.00 C ATOM 981 OH TYR A 73 12.940 12.518 -4.435 1.00 0.00 O ATOM 0 H TYR A 73 7.245 7.734 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 73 9.616 7.934 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.211 7.739 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.573 6.879 -4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.985 10.288 -4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.606 8.000 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.323 12.356 -4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.937 10.097 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 73 13.896 12.312 -4.503 1.00 0.00 H new ATOM 990 N GLN A 74 9.771 5.428 -7.087 1.00 0.00 N ATOM 991 CA GLN A 74 9.855 4.004 -7.384 1.00 0.00 C ATOM 992 C GLN A 74 11.022 3.379 -6.626 1.00 0.00 C ATOM 993 O GLN A 74 12.157 3.866 -6.703 1.00 0.00 O ATOM 994 CB GLN A 74 10.033 3.781 -8.895 1.00 0.00 C ATOM 995 CG GLN A 74 10.105 2.289 -9.265 1.00 0.00 C ATOM 996 CD GLN A 74 10.342 2.049 -10.752 1.00 0.00 C ATOM 997 OE1 GLN A 74 11.268 2.626 -11.313 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.567 1.179 -11.398 1.00 0.00 N ATOM 0 H GLN A 74 10.400 5.990 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 74 8.927 3.528 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.203 4.245 -9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.944 4.279 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.906 1.818 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.176 1.803 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.804 0.713 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.737 0.979 -12.384 1.00 0.00 H new ATOM 1005 N SER A 75 10.750 2.253 -5.963 1.00 0.00 N ATOM 1006 CA SER A 75 11.765 1.471 -5.262 1.00 0.00 C ATOM 1007 C SER A 75 12.993 1.121 -6.118 1.00 0.00 C ATOM 1008 O SER A 75 12.958 1.119 -7.351 1.00 0.00 O ATOM 1009 CB SER A 75 11.123 0.210 -4.674 1.00 0.00 C ATOM 1010 OG SER A 75 12.069 -0.581 -3.980 1.00 0.00 O ATOM 0 H SER A 75 9.812 1.857 -5.898 1.00 0.00 H new ATOM 0 HA SER A 75 12.151 2.102 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.318 0.493 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.674 -0.378 -5.475 1.00 0.00 H new ATOM 0 HG SER A 75 12.272 -1.384 -4.504 1.00 0.00 H new ATOM 1015 N LYS A 76 14.100 0.847 -5.423 1.00 0.00 N ATOM 1016 CA LYS A 76 15.326 0.278 -5.963 1.00 0.00 C ATOM 1017 C LYS A 76 15.055 -1.075 -6.614 1.00 0.00 C ATOM 1018 O LYS A 76 15.065 -1.205 -7.837 1.00 0.00 O ATOM 1019 CB LYS A 76 16.428 0.251 -4.888 1.00 0.00 C ATOM 1020 CG LYS A 76 16.071 -0.466 -3.577 1.00 0.00 C ATOM 1021 CD LYS A 76 16.966 -0.015 -2.416 1.00 0.00 C ATOM 1022 CE LYS A 76 16.466 -0.673 -1.122 1.00 0.00 C ATOM 1023 NZ LYS A 76 17.221 -0.250 0.072 1.00 0.00 N ATOM 0 H LYS A 76 14.163 1.026 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 76 15.704 0.916 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.311 -0.228 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.705 1.279 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.028 -0.270 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.169 -1.543 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.002 -0.296 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.943 1.071 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.412 -0.431 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.534 -1.756 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.650 -0.423 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.106 -0.792 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.440 0.764 0.003 1.00 0.00 H new ATOM 1033 N SER A 77 14.790 -2.075 -5.783 1.00 0.00 N ATOM 1034 CA SER A 77 14.488 -3.425 -6.186 1.00 0.00 C ATOM 1035 C SER A 77 12.974 -3.564 -6.181 1.00 0.00 C ATOM 1036 O SER A 77 12.251 -2.616 -5.856 1.00 0.00 O ATOM 1037 CB SER A 77 15.115 -4.352 -5.139 1.00 0.00 C ATOM 1038 OG SER A 77 14.599 -4.037 -3.856 1.00 0.00 O ATOM 0 H SER A 77 14.782 -1.953 -4.770 1.00 0.00 H new ATOM 0 HA SER A 77 14.874 -3.671 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.900 -5.392 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.199 -4.242 -5.143 1.00 0.00 H new ATOM 0 HG SER A 77 13.725 -4.465 -3.741 1.00 0.00 H new ATOM 1043 N THR A 78 12.493 -4.757 -6.502 1.00 0.00 N ATOM 1044 CA THR A 78 11.138 -5.104 -6.171 1.00 0.00 C ATOM 1045 C THR A 78 11.072 -5.227 -4.643 1.00 0.00 C ATOM 1046 O THR A 78 12.099 -5.421 -3.986 1.00 0.00 O ATOM 1047 CB THR A 78 10.806 -6.410 -6.892 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.886 -7.306 -6.723 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.656 -6.132 -8.391 1.00 0.00 C ATOM 0 H THR A 78 13.020 -5.485 -6.984 1.00 0.00 H new ATOM 0 HA THR A 78 10.406 -4.360 -6.486 1.00 0.00 H new ATOM 0 HB THR A 78 9.885 -6.829 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.583 -8.221 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.419 -7.060 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.853 -5.412 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.589 -5.726 -8.781 1.00 0.00 H new ATOM 1057 N MET A 79 9.876 -5.055 -4.081 1.00 0.00 N ATOM 1058 CA MET A 79 9.559 -5.278 -2.685 1.00 0.00 C ATOM 1059 C MET A 79 8.262 -6.083 -2.681 1.00 0.00 C ATOM 1060 O MET A 79 7.516 -6.030 -3.662 1.00 0.00 O ATOM 1061 CB MET A 79 9.361 -3.931 -1.981 1.00 0.00 C ATOM 1062 CG MET A 79 10.614 -3.047 -1.986 1.00 0.00 C ATOM 1063 SD MET A 79 12.027 -3.691 -1.060 1.00 0.00 S ATOM 1064 CE MET A 79 13.196 -2.338 -1.292 1.00 0.00 C ATOM 0 H MET A 79 9.068 -4.741 -4.619 1.00 0.00 H new ATOM 0 HA MET A 79 10.354 -5.807 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.545 -3.394 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.057 -4.110 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.921 -2.889 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.350 -2.071 -1.579 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.130 -2.572 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.389 -2.202 -2.356 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.777 -1.420 -0.879 1.00 0.00 H new ATOM 1072 N ARG A 80 8.005 -6.835 -1.612 1.00 0.00 N ATOM 1073 CA ARG A 80 6.815 -7.665 -1.483 1.00 0.00 C ATOM 1074 C ARG A 80 5.621 -6.803 -1.066 1.00 0.00 C ATOM 1075 O ARG A 80 5.739 -5.941 -0.193 1.00 0.00 O ATOM 1076 CB ARG A 80 7.058 -8.780 -0.458 1.00 0.00 C ATOM 1077 CG ARG A 80 7.629 -10.051 -1.085 1.00 0.00 C ATOM 1078 CD ARG A 80 8.915 -9.835 -1.886 1.00 0.00 C ATOM 1079 NE ARG A 80 10.025 -9.313 -1.078 1.00 0.00 N ATOM 1080 CZ ARG A 80 11.318 -9.424 -1.411 1.00 0.00 C ATOM 1081 NH1 ARG A 80 11.674 -9.917 -2.603 1.00 0.00 N ATOM 1082 NH2 ARG A 80 12.254 -9.050 -0.536 1.00 0.00 N ATOM 0 H ARG A 80 8.626 -6.884 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 80 6.594 -8.124 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.744 -8.419 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.119 -9.018 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.824 -10.776 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.876 -10.489 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.217 -10.781 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.713 -9.143 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 80 9.797 -8.835 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.958 -10.212 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.661 -9.998 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.982 -8.684 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.241 -9.130 -0.780 1.00 0.00 H new ATOM 1093 N ILE A 81 4.456 -7.062 -1.664 1.00 0.00 N ATOM 1094 CA ILE A 81 3.193 -6.451 -1.288 1.00 0.00 C ATOM 1095 C ILE A 81 2.112 -7.527 -1.219 1.00 0.00 C ATOM 1096 O ILE A 81 2.168 -8.539 -1.919 1.00 0.00 O ATOM 1097 CB ILE A 81 2.771 -5.323 -2.256 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.865 -5.714 -3.734 1.00 0.00 C ATOM 1099 CG2 ILE A 81 3.487 -3.999 -2.001 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.226 -5.468 -4.397 1.00 0.00 C ATOM 0 H ILE A 81 4.370 -7.718 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 81 3.323 -5.990 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 81 1.716 -5.168 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.621 -6.772 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.106 -5.161 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.141 -3.254 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.270 -3.657 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.562 -4.139 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.184 -5.779 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.470 -4.407 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.993 -6.043 -3.878 1.00 0.00 H new ATOM 1111 N THR A 82 1.124 -7.290 -0.365 1.00 0.00 N ATOM 1112 CA THR A 82 -0.078 -8.083 -0.241 1.00 0.00 C ATOM 1113 C THR A 82 -1.239 -7.169 -0.639 1.00 0.00 C ATOM 1114 O THR A 82 -1.659 -6.307 0.133 1.00 0.00 O ATOM 1115 CB THR A 82 -0.154 -8.663 1.185 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.496 -7.846 2.140 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.554 -10.017 1.227 1.00 0.00 C ATOM 0 H THR A 82 1.146 -6.504 0.285 1.00 0.00 H new ATOM 0 HA THR A 82 -0.105 -8.954 -0.896 1.00 0.00 H new ATOM 0 HB THR A 82 -1.214 -8.737 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.419 -8.255 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.499 -10.425 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.070 -10.702 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.599 -9.890 0.943 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.697 -7.283 -1.890 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.717 -6.387 -2.403 1.00 0.00 C ATOM 1127 C ASP A 83 -4.076 -6.791 -1.850 1.00 0.00 C ATOM 1128 O ASP A 83 -4.583 -7.849 -2.218 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.718 -6.342 -3.931 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.659 -5.237 -4.388 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.354 -4.071 -4.051 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.672 -5.580 -5.032 1.00 0.00 O ATOM 0 H ASP A 83 -1.375 -7.985 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.491 -5.375 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.710 -6.158 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.038 -7.302 -4.337 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.648 -5.998 -0.941 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.820 -6.409 -0.186 1.00 0.00 C ATOM 1138 C CYS A 84 -7.078 -5.927 -0.882 1.00 0.00 C ATOM 1139 O CYS A 84 -7.262 -4.720 -1.019 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.751 -5.865 1.242 1.00 0.00 C ATOM 1141 SG CYS A 84 -6.967 -6.612 2.345 1.00 0.00 S ATOM 0 H CYS A 84 -4.311 -5.063 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.845 -7.498 -0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.752 -6.038 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.903 -4.786 1.221 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.927 -6.855 -1.337 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.158 -6.523 -2.042 1.00 0.00 C ATOM 1147 C ARG A 85 -10.344 -7.062 -1.253 1.00 0.00 C ATOM 1148 O ARG A 85 -10.223 -8.134 -0.661 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.156 -7.177 -3.433 1.00 0.00 C ATOM 1150 CG ARG A 85 -10.129 -6.458 -4.380 1.00 0.00 C ATOM 1151 CD ARG A 85 -10.575 -7.344 -5.545 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.247 -6.554 -6.590 1.00 0.00 N ATOM 1153 CZ ARG A 85 -12.470 -6.000 -6.512 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -13.246 -6.181 -5.439 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -12.919 -5.253 -7.528 1.00 0.00 N ATOM 0 H ARG A 85 -7.775 -7.857 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.231 -5.440 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.149 -7.150 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.436 -8.227 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.005 -6.134 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.652 -5.560 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.710 -7.852 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.251 -8.117 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.734 -6.413 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.914 -6.748 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.170 -5.752 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.335 -5.108 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.845 -4.829 -7.479 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.497 -6.390 -1.327 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.741 -6.988 -0.863 1.00 0.00 C ATOM 1168 C GLU A 86 -13.232 -7.902 -1.987 1.00 0.00 C ATOM 1169 O GLU A 86 -13.103 -7.560 -3.166 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.814 -5.937 -0.567 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.455 -4.998 0.591 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.568 -3.986 0.849 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.733 -4.440 0.897 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.253 -2.784 0.985 1.00 0.00 O ATOM 0 H GLU A 86 -11.590 -5.445 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.560 -7.528 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.986 -5.343 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.751 -6.443 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.275 -5.582 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.528 -4.472 0.362 1.00 0.00 H new ATOM 1179 N THR A 87 -13.748 -9.077 -1.635 1.00 0.00 N ATOM 1180 CA THR A 87 -14.136 -10.097 -2.600 1.00 0.00 C ATOM 1181 C THR A 87 -15.622 -9.999 -2.968 1.00 0.00 C ATOM 1182 O THR A 87 -16.401 -9.318 -2.294 1.00 0.00 O ATOM 1183 CB THR A 87 -13.701 -11.484 -2.088 1.00 0.00 C ATOM 1184 OG1 THR A 87 -13.921 -11.673 -0.699 1.00 0.00 O ATOM 1185 CG2 THR A 87 -12.206 -11.658 -2.342 1.00 0.00 C ATOM 0 H THR A 87 -13.909 -9.348 -0.665 1.00 0.00 H new ATOM 0 HA THR A 87 -13.612 -9.928 -3.541 1.00 0.00 H new ATOM 0 HB THR A 87 -14.307 -12.214 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.626 -12.571 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.887 -12.637 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.007 -11.581 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.654 -10.881 -1.813 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.010 -10.651 -4.074 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.397 -10.767 -4.509 1.00 0.00 C ATOM 1195 C GLY A 88 -18.139 -11.662 -3.522 1.00 0.00 C ATOM 1196 O GLY A 88 -18.364 -12.843 -3.774 1.00 0.00 O ATOM 0 H GLY A 88 -15.352 -11.118 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.864 -9.783 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.445 -11.188 -5.513 1.00 0.00 H new ATOM 1199 N SER A 89 -18.468 -11.073 -2.377 1.00 0.00 N ATOM 1200 CA SER A 89 -18.852 -11.760 -1.152 1.00 0.00 C ATOM 1201 C SER A 89 -19.022 -10.718 -0.045 1.00 0.00 C ATOM 1202 O SER A 89 -19.888 -10.864 0.813 1.00 0.00 O ATOM 1203 CB SER A 89 -17.718 -12.714 -0.753 1.00 0.00 C ATOM 1204 OG SER A 89 -16.512 -11.981 -0.865 1.00 0.00 O ATOM 0 H SER A 89 -18.474 -10.058 -2.275 1.00 0.00 H new ATOM 0 HA SER A 89 -19.780 -12.313 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.857 -13.077 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 89 -17.701 -13.589 -1.403 1.00 0.00 H new ATOM 0 HG SER A 89 -15.758 -12.550 -0.604 1.00 0.00 H new ATOM 1209 N SER A 90 -18.164 -9.690 -0.057 1.00 0.00 N ATOM 1210 CA SER A 90 -18.126 -8.610 0.910 1.00 0.00 C ATOM 1211 C SER A 90 -19.517 -8.014 1.162 1.00 0.00 C ATOM 1212 O SER A 90 -20.202 -7.618 0.220 1.00 0.00 O ATOM 1213 CB SER A 90 -17.153 -7.550 0.385 1.00 0.00 C ATOM 1214 OG SER A 90 -16.571 -6.872 1.467 1.00 0.00 O ATOM 0 H SER A 90 -17.449 -9.594 -0.778 1.00 0.00 H new ATOM 0 HA SER A 90 -17.787 -8.992 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.379 -8.020 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.679 -6.845 -0.259 1.00 0.00 H new ATOM 0 HG SER A 90 -16.562 -5.909 1.283 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.936 -7.960 2.429 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.249 -7.503 2.862 1.00 0.00 C ATOM 1221 C LYS A 91 -21.074 -6.562 4.058 1.00 0.00 C ATOM 1222 O LYS A 91 -21.470 -6.903 5.172 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.100 -8.737 3.223 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.650 -9.462 1.985 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.808 -8.746 1.268 1.00 0.00 C ATOM 1226 CE LYS A 91 -25.020 -8.437 2.161 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.487 -9.624 2.906 1.00 0.00 N ATOM 0 H LYS A 91 -19.343 -8.246 3.208 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.760 -6.953 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.496 -9.431 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.931 -8.427 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.836 -9.603 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.987 -10.454 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.435 -7.812 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.137 -9.363 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.757 -7.649 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.834 -8.055 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.364 -9.392 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.668 -10.403 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.758 -9.914 3.589 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.501 -5.374 3.830 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.257 -4.372 4.870 1.00 0.00 C ATOM 1239 C TYR A 92 -21.501 -4.220 5.759 1.00 0.00 C ATOM 1240 O TYR A 92 -22.595 -4.035 5.225 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.904 -3.026 4.216 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.790 -1.873 5.197 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -18.618 -1.713 5.956 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -20.911 -1.065 5.472 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -18.564 -0.761 6.988 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -20.863 -0.123 6.514 1.00 0.00 C ATOM 1247 CZ TYR A 92 -19.696 0.016 7.285 1.00 0.00 C ATOM 1248 OH TYR A 92 -19.666 0.883 8.335 1.00 0.00 O ATOM 0 H TYR A 92 -20.190 -5.079 2.904 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.423 -4.696 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.959 -3.130 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.665 -2.784 3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -17.754 -2.325 5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -21.809 -1.170 4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -17.653 -0.627 7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -21.724 0.495 6.723 1.00 0.00 H new ATOM 0 HH TYR A 92 -20.528 1.344 8.403 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.373 -4.306 7.096 1.00 0.00 N ATOM 1258 CA PRO A 93 -20.136 -4.332 7.873 1.00 0.00 C ATOM 1259 C PRO A 93 -19.345 -5.641 7.792 1.00 0.00 C ATOM 1260 O PRO A 93 -18.144 -5.638 8.052 1.00 0.00 O ATOM 1261 CB PRO A 93 -20.559 -4.045 9.312 1.00 0.00 C ATOM 1262 CG PRO A 93 -22.000 -4.537 9.376 1.00 0.00 C ATOM 1263 CD PRO A 93 -22.519 -4.208 7.979 1.00 0.00 C ATOM 0 HA PRO A 93 -19.445 -3.594 7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.926 -4.570 10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.489 -2.982 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -22.056 -5.604 9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -22.570 -4.026 10.152 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -23.303 -4.903 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -22.951 -3.208 7.948 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.972 -6.750 7.393 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.285 -8.018 7.158 1.00 0.00 C ATOM 1270 C ASN A 94 -18.546 -7.943 5.817 1.00 0.00 C ATOM 1271 O ASN A 94 -18.832 -8.706 4.895 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.302 -9.178 7.194 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.607 -9.665 8.608 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -20.648 -10.864 8.861 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -20.830 -8.751 9.548 1.00 0.00 N ATOM 0 H ASN A 94 -20.977 -6.792 7.223 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.551 -8.205 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.229 -8.855 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.916 -10.010 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -21.040 -9.042 10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -20.791 -7.759 9.314 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.603 -7.004 5.682 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.766 -6.948 4.489 1.00 0.00 C ATOM 1283 C CYS A 95 -15.731 -8.076 4.523 1.00 0.00 C ATOM 1284 O CYS A 95 -15.302 -8.482 5.601 1.00 0.00 O ATOM 1285 CB CYS A 95 -16.134 -5.574 4.250 1.00 0.00 C ATOM 1286 SG CYS A 95 -14.842 -5.027 5.372 1.00 0.00 S ATOM 0 H CYS A 95 -17.405 -6.284 6.376 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.415 -7.102 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.723 -5.568 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -16.932 -4.832 4.274 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.384 -8.619 3.351 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.621 -9.859 3.213 1.00 0.00 C ATOM 1292 C ALA A 96 -13.354 -9.639 2.383 1.00 0.00 C ATOM 1293 O ALA A 96 -13.405 -9.668 1.149 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.515 -10.928 2.575 1.00 0.00 C ATOM 0 H ALA A 96 -15.632 -8.198 2.455 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.304 -10.195 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.953 -11.856 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.385 -11.101 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.844 -10.588 1.593 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.215 -9.446 3.057 1.00 0.00 N ATOM 1301 CA TYR A 97 -10.954 -9.139 2.396 1.00 0.00 C ATOM 1302 C TYR A 97 -10.167 -10.404 2.027 1.00 0.00 C ATOM 1303 O TYR A 97 -10.161 -11.373 2.789 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.098 -8.260 3.302 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.538 -6.826 3.460 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.203 -5.907 2.451 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -10.983 -6.359 4.711 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.245 -4.532 2.712 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.086 -4.977 4.947 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.743 -4.063 3.933 1.00 0.00 C ATOM 1311 OH TYR A 97 -10.896 -2.724 4.136 1.00 0.00 O ATOM 0 H TYR A 97 -12.147 -9.499 4.073 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.192 -8.614 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.066 -8.718 4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.079 -8.263 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.913 -6.262 1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.245 -7.061 5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.892 -3.832 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.428 -4.617 5.906 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.099 -2.367 4.581 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.466 -10.372 0.884 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.635 -11.459 0.373 1.00 0.00 C ATOM 1322 C LYS A 98 -7.402 -10.876 -0.321 1.00 0.00 C ATOM 1323 O LYS A 98 -7.528 -10.283 -1.394 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.481 -12.304 -0.595 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.997 -13.738 -0.863 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.729 -13.897 -1.718 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.816 -13.309 -3.145 1.00 0.00 C ATOM 1328 NZ LYS A 98 -6.993 -12.090 -3.311 1.00 0.00 N ATOM 0 H LYS A 98 -9.466 -9.556 0.272 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.288 -12.097 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.497 -12.355 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.533 -11.779 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.821 -14.221 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.805 -14.283 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.898 -13.422 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.493 -14.958 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.493 -14.062 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.856 -13.075 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.020 -11.786 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.369 -11.332 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.011 -12.295 -3.038 1.00 0.00 H new ATOM 1338 N THR A 99 -6.204 -11.058 0.248 1.00 0.00 N ATOM 1339 CA THR A 99 -4.990 -10.453 -0.304 1.00 0.00 C ATOM 1340 C THR A 99 -4.518 -11.166 -1.571 1.00 0.00 C ATOM 1341 O THR A 99 -4.826 -12.340 -1.774 1.00 0.00 O ATOM 1342 CB THR A 99 -3.881 -10.307 0.761 1.00 0.00 C ATOM 1343 OG1 THR A 99 -3.481 -8.956 0.834 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.610 -11.111 0.463 1.00 0.00 C ATOM 0 H THR A 99 -6.052 -11.617 1.087 1.00 0.00 H new ATOM 0 HA THR A 99 -5.246 -9.439 -0.611 1.00 0.00 H new ATOM 0 HB THR A 99 -4.319 -10.683 1.685 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.192 -8.426 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.884 -10.952 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.856 -12.171 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.186 -10.782 -0.486 1.00 0.00 H new ATOM 1352 N THR A 100 -3.789 -10.467 -2.433 1.00 0.00 N ATOM 1353 CA THR A 100 -3.125 -11.026 -3.599 1.00 0.00 C ATOM 1354 C THR A 100 -1.635 -10.687 -3.470 1.00 0.00 C ATOM 1355 O THR A 100 -1.253 -9.520 -3.542 1.00 0.00 O ATOM 1356 CB THR A 100 -3.782 -10.449 -4.861 1.00 0.00 C ATOM 1357 OG1 THR A 100 -5.191 -10.655 -4.816 1.00 0.00 O ATOM 1358 CG2 THR A 100 -3.235 -11.114 -6.127 1.00 0.00 C ATOM 0 H THR A 100 -3.640 -9.463 -2.334 1.00 0.00 H new ATOM 0 HA THR A 100 -3.221 -12.109 -3.670 1.00 0.00 H new ATOM 0 HB THR A 100 -3.555 -9.383 -4.891 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.602 -10.282 -5.624 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.720 -10.683 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.160 -10.948 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.435 -12.185 -6.091 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.800 -11.693 -3.200 1.00 0.00 N ATOM 1367 CA GLN A 101 0.630 -11.515 -2.980 1.00 0.00 C ATOM 1368 C GLN A 101 1.308 -11.240 -4.331 1.00 0.00 C ATOM 1369 O GLN A 101 1.142 -12.028 -5.258 1.00 0.00 O ATOM 1370 CB GLN A 101 1.180 -12.777 -2.284 1.00 0.00 C ATOM 1371 CG GLN A 101 2.380 -12.540 -1.351 1.00 0.00 C ATOM 1372 CD GLN A 101 3.616 -12.021 -2.076 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.383 -12.787 -2.645 1.00 0.00 O ATOM 1374 NE2 GLN A 101 3.814 -10.708 -2.071 1.00 0.00 N ATOM 0 H GLN A 101 -1.105 -12.664 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 101 0.835 -10.663 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.376 -13.234 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.472 -13.497 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.095 -11.826 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.629 -13.474 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.157 -10.095 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.623 -10.312 -2.550 1.00 0.00 H new ATOM 1381 N VAL A 102 2.054 -10.138 -4.451 1.00 0.00 N ATOM 1382 CA VAL A 102 2.894 -9.834 -5.608 1.00 0.00 C ATOM 1383 C VAL A 102 4.193 -9.201 -5.101 1.00 0.00 C ATOM 1384 O VAL A 102 4.258 -8.767 -3.949 1.00 0.00 O ATOM 1385 CB VAL A 102 2.166 -8.918 -6.632 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.178 -9.695 -7.499 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.420 -7.720 -6.035 1.00 0.00 C ATOM 0 H VAL A 102 2.090 -9.418 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 102 3.120 -10.755 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 102 2.991 -8.526 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.694 -9.014 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.710 -10.467 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.424 -10.159 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.949 -7.149 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.655 -8.075 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.124 -7.082 -5.500 1.00 0.00 H new ATOM 1397 N GLU A 103 5.236 -9.152 -5.936 1.00 0.00 N ATOM 1398 CA GLU A 103 6.394 -8.319 -5.674 1.00 0.00 C ATOM 1399 C GLU A 103 6.673 -7.475 -6.908 1.00 0.00 C ATOM 1400 O GLU A 103 6.527 -7.955 -8.031 1.00 0.00 O ATOM 1401 CB GLU A 103 7.606 -9.087 -5.157 1.00 0.00 C ATOM 1402 CG GLU A 103 8.346 -9.975 -6.157 1.00 0.00 C ATOM 1403 CD GLU A 103 9.807 -10.098 -5.738 1.00 0.00 C ATOM 1404 OE1 GLU A 103 10.045 -10.562 -4.601 1.00 0.00 O ATOM 1405 OE2 GLU A 103 10.663 -9.625 -6.514 1.00 0.00 O ATOM 0 H GLU A 103 5.293 -9.687 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 103 6.165 -7.653 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.317 -8.366 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.281 -9.712 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.883 -10.961 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.278 -9.550 -7.158 1.00 0.00 H new ATOM 1410 N LYS A 104 6.980 -6.198 -6.695 1.00 0.00 N ATOM 1411 CA LYS A 104 7.137 -5.193 -7.733 1.00 0.00 C ATOM 1412 C LYS A 104 7.869 -4.014 -7.098 1.00 0.00 C ATOM 1413 O LYS A 104 7.996 -3.978 -5.873 1.00 0.00 O ATOM 1414 CB LYS A 104 5.767 -4.754 -8.262 1.00 0.00 C ATOM 1415 CG LYS A 104 5.197 -5.625 -9.392 1.00 0.00 C ATOM 1416 CD LYS A 104 4.029 -6.506 -8.947 1.00 0.00 C ATOM 1417 CE LYS A 104 2.676 -5.780 -8.897 1.00 0.00 C ATOM 1418 NZ LYS A 104 2.328 -5.085 -10.151 1.00 0.00 N ATOM 0 H LYS A 104 7.131 -5.825 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 104 7.699 -5.589 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.059 -4.751 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.844 -3.727 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.867 -4.980 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.990 -6.259 -9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.949 -7.354 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.249 -6.910 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.894 -6.503 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.693 -5.055 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.296 -4.974 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.778 -4.148 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.664 -5.643 -10.962 1.00 0.00 H new ATOM 1428 N HIS A 105 8.355 -3.046 -7.883 1.00 0.00 N ATOM 1429 CA HIS A 105 8.866 -1.825 -7.281 1.00 0.00 C ATOM 1430 C HIS A 105 7.671 -1.089 -6.704 1.00 0.00 C ATOM 1431 O HIS A 105 6.862 -0.547 -7.455 1.00 0.00 O ATOM 1432 CB HIS A 105 9.592 -0.887 -8.255 1.00 0.00 C ATOM 1433 CG HIS A 105 10.581 -1.547 -9.172 1.00 0.00 C ATOM 1434 ND1 HIS A 105 10.282 -2.122 -10.388 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.933 -1.613 -8.989 1.00 0.00 C ATOM 1436 CE1 HIS A 105 11.433 -2.549 -10.936 1.00 0.00 C ATOM 1437 NE2 HIS A 105 12.449 -2.244 -10.103 1.00 0.00 N ATOM 0 H HIS A 105 8.402 -3.086 -8.901 1.00 0.00 H new ATOM 0 HA HIS A 105 9.608 -2.111 -6.536 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.846 -0.374 -8.862 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.112 -0.123 -7.677 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.489 -1.244 -8.140 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.528 -3.053 -11.886 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.435 -2.446 -10.269 1.00 0.00 H new ATOM 1445 N ILE A 106 7.550 -1.063 -5.382 1.00 0.00 N ATOM 1446 CA ILE A 106 6.553 -0.224 -4.749 1.00 0.00 C ATOM 1447 C ILE A 106 6.792 1.224 -5.185 1.00 0.00 C ATOM 1448 O ILE A 106 7.939 1.684 -5.253 1.00 0.00 O ATOM 1449 CB ILE A 106 6.540 -0.420 -3.225 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.919 -0.175 -2.589 1.00 0.00 C ATOM 1451 CG2 ILE A 106 6.003 -1.825 -2.929 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.891 -0.329 -1.069 1.00 0.00 C ATOM 0 H ILE A 106 8.124 -1.608 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 106 5.552 -0.510 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 106 5.885 0.323 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.641 -0.875 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.262 0.828 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.984 -1.988 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.993 -1.920 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.649 -2.568 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.887 -0.146 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.190 0.389 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.575 -1.340 -0.811 1.00 0.00 H new ATOM 1463 N ILE A 107 5.697 1.895 -5.536 1.00 0.00 N ATOM 1464 CA ILE A 107 5.633 3.278 -5.953 1.00 0.00 C ATOM 1465 C ILE A 107 4.927 4.007 -4.809 1.00 0.00 C ATOM 1466 O ILE A 107 3.717 3.827 -4.631 1.00 0.00 O ATOM 1467 CB ILE A 107 4.854 3.421 -7.279 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.236 2.415 -8.377 1.00 0.00 C ATOM 1469 CG2 ILE A 107 4.985 4.855 -7.794 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.669 2.538 -8.868 1.00 0.00 C ATOM 0 H ILE A 107 4.778 1.452 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 107 6.622 3.694 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 107 3.817 3.185 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.080 1.405 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.562 2.546 -9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.436 4.957 -8.730 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.576 5.545 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.037 5.086 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.854 1.792 -9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.828 3.534 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.354 2.376 -8.036 1.00 0.00 H new ATOM 1481 N VAL A 108 5.663 4.782 -4.005 1.00 0.00 N ATOM 1482 CA VAL A 108 5.083 5.495 -2.866 1.00 0.00 C ATOM 1483 C VAL A 108 5.167 7.001 -3.080 1.00 0.00 C ATOM 1484 O VAL A 108 6.127 7.502 -3.662 1.00 0.00 O ATOM 1485 CB VAL A 108 5.677 5.055 -1.515 1.00 0.00 C ATOM 1486 CG1 VAL A 108 5.489 3.549 -1.297 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.149 5.437 -1.349 1.00 0.00 C ATOM 0 H VAL A 108 6.665 4.931 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 108 4.029 5.223 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 108 5.123 5.600 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.917 3.264 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.426 3.310 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.990 3.001 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.505 5.098 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.738 4.966 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.254 6.520 -1.417 1.00 0.00 H new ATOM 1497 N ALA A 109 4.146 7.715 -2.613 1.00 0.00 N ATOM 1498 CA ALA A 109 4.063 9.158 -2.668 1.00 0.00 C ATOM 1499 C ALA A 109 4.940 9.735 -1.561 1.00 0.00 C ATOM 1500 O ALA A 109 4.759 9.385 -0.394 1.00 0.00 O ATOM 1501 CB ALA A 109 2.613 9.583 -2.468 1.00 0.00 C ATOM 0 H ALA A 109 3.332 7.285 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 109 4.408 9.526 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.544 10.670 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.995 9.150 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.262 9.233 -1.497 1.00 0.00 H new ATOM 1507 N CYS A 110 5.886 10.596 -1.927 1.00 0.00 N ATOM 1508 CA CYS A 110 6.967 11.060 -1.069 1.00 0.00 C ATOM 1509 C CYS A 110 6.819 12.531 -0.700 1.00 0.00 C ATOM 1510 O CYS A 110 6.345 13.330 -1.507 1.00 0.00 O ATOM 1511 CB CYS A 110 8.246 10.855 -1.855 1.00 0.00 C ATOM 1512 SG CYS A 110 9.768 11.406 -1.094 1.00 0.00 S ATOM 0 H CYS A 110 5.920 11.002 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 110 6.962 10.506 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.342 9.791 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.141 11.368 -2.811 1.00 0.00 H new ATOM 1516 N GLY A 111 7.239 12.912 0.506 1.00 0.00 N ATOM 1517 CA GLY A 111 7.126 14.287 0.962 1.00 0.00 C ATOM 1518 C GLY A 111 7.605 14.423 2.404 1.00 0.00 C ATOM 1519 O GLY A 111 8.518 13.714 2.822 1.00 0.00 O ATOM 0 H GLY A 111 7.662 12.279 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.715 14.938 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.089 14.616 0.886 1.00 0.00 H new ATOM 1522 N GLY A 112 6.988 15.357 3.137 1.00 0.00 N ATOM 1523 CA GLY A 112 7.123 15.513 4.579 1.00 0.00 C ATOM 1524 C GLY A 112 8.560 15.724 5.053 1.00 0.00 C ATOM 1525 O GLY A 112 8.939 15.151 6.070 1.00 0.00 O ATOM 0 H GLY A 112 6.360 16.046 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.518 16.361 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.717 14.628 5.069 1.00 0.00 H new ATOM 1528 N LYS A 113 9.311 16.573 4.333 1.00 0.00 N ATOM 1529 CA LYS A 113 10.732 16.872 4.521 1.00 0.00 C ATOM 1530 C LYS A 113 11.273 16.519 5.924 1.00 0.00 C ATOM 1531 O LYS A 113 10.826 17.117 6.905 1.00 0.00 O ATOM 1532 CB LYS A 113 11.007 18.338 4.152 1.00 0.00 C ATOM 1533 CG LYS A 113 10.160 19.358 4.933 1.00 0.00 C ATOM 1534 CD LYS A 113 10.529 20.796 4.539 1.00 0.00 C ATOM 1535 CE LYS A 113 9.695 21.842 5.296 1.00 0.00 C ATOM 1536 NZ LYS A 113 9.915 21.805 6.758 1.00 0.00 N ATOM 0 H LYS A 113 8.913 17.100 3.556 1.00 0.00 H new ATOM 0 HA LYS A 113 11.284 16.219 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.062 18.552 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.824 18.472 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.102 19.184 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.313 19.220 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.587 20.965 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.383 20.925 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.941 22.836 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.638 21.676 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.421 22.604 7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.545 20.912 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.933 21.872 6.958 1.00 0.00 H new ATOM 1546 N PRO A 114 12.240 15.593 6.067 1.00 0.00 N ATOM 1547 CA PRO A 114 13.035 14.957 5.020 1.00 0.00 C ATOM 1548 C PRO A 114 12.224 13.925 4.226 1.00 0.00 C ATOM 1549 O PRO A 114 11.007 13.864 4.339 1.00 0.00 O ATOM 1550 CB PRO A 114 14.216 14.320 5.768 1.00 0.00 C ATOM 1551 CG PRO A 114 13.615 13.973 7.128 1.00 0.00 C ATOM 1552 CD PRO A 114 12.683 15.155 7.380 1.00 0.00 C ATOM 0 HA PRO A 114 13.369 15.672 4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.589 13.434 5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.054 15.011 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.075 13.026 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 114 14.379 13.885 7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 114 11.837 14.861 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.201 15.957 7.906 1.00 0.00 H new ATOM 1557 N SER A 115 12.900 13.133 3.392 1.00 0.00 N ATOM 1558 CA SER A 115 12.305 12.126 2.524 1.00 0.00 C ATOM 1559 C SER A 115 11.493 11.081 3.294 1.00 0.00 C ATOM 1560 O SER A 115 12.002 9.989 3.551 1.00 0.00 O ATOM 1561 CB SER A 115 13.431 11.493 1.693 1.00 0.00 C ATOM 1562 OG SER A 115 14.562 11.169 2.498 1.00 0.00 O ATOM 0 H SER A 115 13.915 13.180 3.302 1.00 0.00 H new ATOM 0 HA SER A 115 11.581 12.604 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.061 10.591 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.732 12.181 0.903 1.00 0.00 H new ATOM 0 HG SER A 115 15.291 10.852 1.925 1.00 0.00 H new ATOM 1567 N VAL A 116 10.226 11.367 3.610 1.00 0.00 N ATOM 1568 CA VAL A 116 9.325 10.393 4.211 1.00 0.00 C ATOM 1569 C VAL A 116 8.131 10.149 3.281 1.00 0.00 C ATOM 1570 O VAL A 116 7.586 11.089 2.699 1.00 0.00 O ATOM 1571 CB VAL A 116 8.931 10.811 5.635 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.201 11.090 6.451 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.018 12.035 5.665 1.00 0.00 C ATOM 0 H VAL A 116 9.801 12.281 3.454 1.00 0.00 H new ATOM 0 HA VAL A 116 9.835 9.436 4.323 1.00 0.00 H new ATOM 0 HB VAL A 116 8.367 9.986 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.925 11.387 7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.813 10.189 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.768 11.892 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.774 12.282 6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.527 12.880 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.101 11.818 5.118 1.00 0.00 H new ATOM 1583 N PRO A 117 7.739 8.886 3.068 1.00 0.00 N ATOM 1584 CA PRO A 117 6.584 8.570 2.258 1.00 0.00 C ATOM 1585 C PRO A 117 5.311 8.889 3.045 1.00 0.00 C ATOM 1586 O PRO A 117 5.272 8.701 4.259 1.00 0.00 O ATOM 1587 CB PRO A 117 6.754 7.108 1.864 1.00 0.00 C ATOM 1588 CG PRO A 117 7.565 6.519 3.017 1.00 0.00 C ATOM 1589 CD PRO A 117 8.387 7.684 3.558 1.00 0.00 C ATOM 0 HA PRO A 117 6.496 9.164 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.792 6.608 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.277 7.007 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 117 6.913 6.105 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.208 5.708 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.414 7.671 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.419 7.628 3.213 1.00 0.00 H new ATOM 1594 N VAL A 118 4.295 9.424 2.359 1.00 0.00 N ATOM 1595 CA VAL A 118 3.047 9.889 2.963 1.00 0.00 C ATOM 1596 C VAL A 118 1.802 9.296 2.285 1.00 0.00 C ATOM 1597 O VAL A 118 0.702 9.413 2.824 1.00 0.00 O ATOM 1598 CB VAL A 118 3.003 11.428 2.999 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.152 11.998 3.842 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.052 12.046 1.594 1.00 0.00 C ATOM 0 H VAL A 118 4.321 9.547 1.347 1.00 0.00 H new ATOM 0 HA VAL A 118 3.029 9.524 3.990 1.00 0.00 H new ATOM 0 HB VAL A 118 2.050 11.694 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.094 13.086 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.074 11.625 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.106 11.688 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.018 13.133 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.975 11.747 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.198 11.698 1.013 1.00 0.00 H new ATOM 1610 N HIS A 119 1.939 8.668 1.111 1.00 0.00 N ATOM 1611 CA HIS A 119 0.865 7.885 0.510 1.00 0.00 C ATOM 1612 C HIS A 119 1.478 6.745 -0.300 1.00 0.00 C ATOM 1613 O HIS A 119 2.684 6.721 -0.523 1.00 0.00 O ATOM 1614 CB HIS A 119 -0.089 8.755 -0.321 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.491 8.205 -0.410 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -2.024 7.475 -1.460 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -2.457 8.348 0.548 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.303 7.194 -1.148 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.587 7.716 0.064 1.00 0.00 N ATOM 0 H HIS A 119 2.795 8.691 0.557 1.00 0.00 H new ATOM 0 HA HIS A 119 0.247 7.458 1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.127 9.754 0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.315 8.861 -1.328 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.537 7.201 -2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.356 8.855 1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.992 6.640 -1.768 1.00 0.00 H new ATOM 1627 N PHE A 120 0.646 5.805 -0.744 1.00 0.00 N ATOM 1628 CA PHE A 120 1.004 4.758 -1.690 1.00 0.00 C ATOM 1629 C PHE A 120 0.406 5.138 -3.046 1.00 0.00 C ATOM 1630 O PHE A 120 -0.683 5.722 -3.053 1.00 0.00 O ATOM 1631 CB PHE A 120 0.422 3.435 -1.179 1.00 0.00 C ATOM 1632 CG PHE A 120 0.501 2.300 -2.175 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.695 1.572 -2.322 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.599 2.024 -3.009 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.772 0.539 -3.269 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.517 0.998 -3.963 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.664 0.246 -4.080 1.00 0.00 C ATOM 0 H PHE A 120 -0.327 5.752 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 120 2.083 4.647 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.950 3.145 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.621 3.591 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.551 1.807 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.506 2.602 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.684 -0.031 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.359 0.787 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.720 -0.560 -4.796 1.00 0.00 H new ATOM 1646 N ASP A 121 1.088 4.833 -4.160 1.00 0.00 N ATOM 1647 CA ASP A 121 0.526 4.979 -5.498 1.00 0.00 C ATOM 1648 C ASP A 121 0.214 3.630 -6.151 1.00 0.00 C ATOM 1649 O ASP A 121 -0.917 3.418 -6.594 1.00 0.00 O ATOM 1650 CB ASP A 121 1.468 5.786 -6.391 1.00 0.00 C ATOM 1651 CG ASP A 121 0.872 5.895 -7.787 1.00 0.00 C ATOM 1652 OD1 ASP A 121 -0.078 6.687 -7.964 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.206 5.059 -8.646 1.00 0.00 O ATOM 0 H ASP A 121 2.044 4.479 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.417 5.515 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.622 6.780 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.445 5.304 -6.437 1.00 0.00 H new ATOM 1657 N ALA A 122 1.210 2.754 -6.294 1.00 0.00 N ATOM 1658 CA ALA A 122 1.111 1.537 -7.095 1.00 0.00 C ATOM 1659 C ALA A 122 2.322 0.656 -6.798 1.00 0.00 C ATOM 1660 O ALA A 122 3.143 1.025 -5.962 1.00 0.00 O ATOM 1661 CB ALA A 122 1.063 1.896 -8.587 1.00 0.00 C ATOM 0 H ALA A 122 2.120 2.874 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 122 0.198 0.998 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.989 0.983 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.195 2.526 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.971 2.434 -8.861 1.00 0.00 H new ATOM 1667 N SER A 123 2.459 -0.480 -7.489 1.00 0.00 N ATOM 1668 CA SER A 123 3.656 -1.304 -7.396 1.00 0.00 C ATOM 1669 C SER A 123 3.996 -1.881 -8.768 1.00 0.00 C ATOM 1670 O SER A 123 3.311 -2.798 -9.226 1.00 0.00 O ATOM 1671 CB SER A 123 3.478 -2.419 -6.362 1.00 0.00 C ATOM 1672 OG SER A 123 2.913 -1.932 -5.163 1.00 0.00 O ATOM 0 H SER A 123 1.748 -0.847 -8.121 1.00 0.00 H new ATOM 0 HA SER A 123 4.484 -0.678 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.839 -3.200 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.444 -2.877 -6.150 1.00 0.00 H new ATOM 0 HG SER A 123 2.385 -2.640 -4.739 1.00 0.00 H new ATOM 1677 N VAL A 124 5.049 -1.371 -9.407 1.00 0.00 N ATOM 1678 CA VAL A 124 5.570 -1.863 -10.674 1.00 0.00 C ATOM 1679 C VAL A 124 7.088 -1.691 -10.668 1.00 0.00 C ATOM 1680 CB VAL A 124 4.848 -1.218 -11.867 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.684 -1.341 -13.148 1.00 0.00 C ATOM 1682 CG2 VAL A 124 3.483 -1.902 -12.071 1.00 0.00 C ATOM 0 H VAL A 124 5.577 -0.578 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 124 5.367 -2.927 -10.794 1.00 0.00 H new ATOM 0 HB VAL A 124 4.704 -0.159 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.150 -0.876 -13.977 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.642 -0.840 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.855 -2.394 -13.371 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.970 -1.445 -12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.634 -2.963 -12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.878 -1.782 -11.172 1.00 0.00 H new TER 1692 VAL A 124