USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 717 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 12 HIS : no HE2:sc= -1.08 K(o=2.8,f=-8.4!) USER MOD Set 1.2: A 30 MET CE :methyl 174:sc=-0.00866 (180deg=-0.0144) USER MOD Set 1.3: A 44 ASN : amide:sc= 2.14 K(o=2.8,f=-0.88) USER MOD Set 1.4: A 97 TYR OH : rot -102:sc= 1.73 USER MOD Set 2.1: A 48 HIS : no HD1:sc= 0.663 K(o=1.3,f=-5!) USER MOD Set 2.2: A 82 THR OG1 : rot 42:sc= 0.641 USER MOD Set 3.1: A 75 SER OG : rot -115:sc= 1.23 USER MOD Set 3.2: A 79 MET CE :methyl 173:sc= -0.127 (180deg=-0.18) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -149:sc= 2.46 (180deg=1.13) USER MOD Set 4.2: A 71 ASN : amide:sc= 0.54 K(o=3.5,f=-10!) USER MOD Set 4.3: A 73 TYR OH : rot -150:sc= 0.522 USER MOD Set 5.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 115 SER OG : rot 53:sc= 0.409 USER MOD Set 6.1: A 34 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0) USER MOD Set 6.2: A 37 GLN : amide:sc= 0.914 K(o=2.1,f=-8.6!) USER MOD Set 7.1: A 22 SER OG : rot 180:sc= 0.123 USER MOD Set 7.2: A 23 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 3 SER OG : rot 33:sc= 0.345 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0245) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.193 (180deg=-0.746) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.409 K(o=0.41,f=-3.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0011) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 176:sc= -0.143 (180deg=-0.193) USER MOD Single : A 36 THR OG1 : rot 59:sc= 0.0934 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.166 (180deg=-1.18) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.12) USER MOD Single : A 45 THR OG1 : rot -78:sc= 1.17 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 1.04 (180deg=-1.95!) USER MOD Single : A 60 GLN : amide:sc= 0.992 K(o=0.99,f=-7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.416 USER MOD Single : A 74 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 1.1 (180deg=0.982) USER MOD Single : A 77 SER OG : rot 180:sc= -0.203 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 87 THR OG1 : rot -18:sc= 0.416 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 169:sc= 1.16 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0243) USER MOD Single : A 92 TYR OH : rot 180:sc=-0.00594 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0191) USER MOD Single : A 99 THR OG1 : rot -58:sc= 1.26 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.017) USER MOD Single : A 105 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 123 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 2.335 11.984 12.617 1.00 0.00 N ATOM 32 CA SER A 3 3.207 12.705 11.701 1.00 0.00 C ATOM 33 C SER A 3 2.916 12.313 10.246 1.00 0.00 C ATOM 34 O SER A 3 3.856 12.162 9.469 1.00 0.00 O ATOM 35 CB SER A 3 4.664 12.419 12.075 1.00 0.00 C ATOM 36 OG SER A 3 4.844 12.535 13.476 1.00 0.00 O ATOM 0 HA SER A 3 3.021 13.776 11.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.941 11.417 11.748 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.323 13.116 11.558 1.00 0.00 H new ATOM 0 HG SER A 3 4.026 12.252 13.935 1.00 0.00 H new ATOM 41 N ALA A 4 1.635 12.117 9.897 1.00 0.00 N ATOM 42 CA ALA A 4 1.120 11.599 8.630 1.00 0.00 C ATOM 43 C ALA A 4 1.779 10.281 8.201 1.00 0.00 C ATOM 44 O ALA A 4 1.153 9.222 8.277 1.00 0.00 O ATOM 45 CB ALA A 4 1.220 12.681 7.552 1.00 0.00 C ATOM 0 H ALA A 4 0.879 12.335 10.546 1.00 0.00 H new ATOM 0 HA ALA A 4 0.069 11.348 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.836 12.292 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.633 13.549 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.262 12.973 7.426 1.00 0.00 H new ATOM 51 N ALA A 5 3.038 10.353 7.761 1.00 0.00 N ATOM 52 CA ALA A 5 3.859 9.238 7.316 1.00 0.00 C ATOM 53 C ALA A 5 3.677 8.033 8.227 1.00 0.00 C ATOM 54 O ALA A 5 3.221 6.991 7.775 1.00 0.00 O ATOM 55 CB ALA A 5 5.326 9.670 7.256 1.00 0.00 C ATOM 0 H ALA A 5 3.534 11.243 7.705 1.00 0.00 H new ATOM 0 HA ALA A 5 3.542 8.941 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.939 8.832 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.433 10.499 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.653 9.987 8.246 1.00 0.00 H new ATOM 61 N ALA A 6 3.947 8.207 9.523 1.00 0.00 N ATOM 62 CA ALA A 6 3.858 7.138 10.506 1.00 0.00 C ATOM 63 C ALA A 6 2.510 6.412 10.441 1.00 0.00 C ATOM 64 O ALA A 6 2.451 5.188 10.492 1.00 0.00 O ATOM 65 CB ALA A 6 4.096 7.719 11.902 1.00 0.00 C ATOM 0 H ALA A 6 4.235 9.103 9.917 1.00 0.00 H new ATOM 0 HA ALA A 6 4.625 6.397 10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.031 6.923 12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.086 8.173 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.341 8.476 12.115 1.00 0.00 H new ATOM 71 N LYS A 7 1.416 7.165 10.341 1.00 0.00 N ATOM 72 CA LYS A 7 0.070 6.615 10.351 1.00 0.00 C ATOM 73 C LYS A 7 -0.241 5.931 9.016 1.00 0.00 C ATOM 74 O LYS A 7 -0.875 4.876 9.003 1.00 0.00 O ATOM 75 CB LYS A 7 -0.888 7.765 10.678 1.00 0.00 C ATOM 76 CG LYS A 7 -2.379 7.414 10.598 1.00 0.00 C ATOM 77 CD LYS A 7 -3.018 8.010 9.330 1.00 0.00 C ATOM 78 CE LYS A 7 -4.552 8.063 9.438 1.00 0.00 C ATOM 79 NZ LYS A 7 -5.012 9.146 10.334 1.00 0.00 N ATOM 0 H LYS A 7 1.443 8.181 10.250 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.041 5.838 11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.669 8.125 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.688 8.590 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.502 6.331 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.893 7.792 11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.630 9.015 9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.734 7.412 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.980 8.208 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.922 7.106 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.049 9.210 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.712 8.941 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.599 10.050 10.027 1.00 0.00 H new ATOM 89 N PHE A 8 0.195 6.528 7.904 1.00 0.00 N ATOM 90 CA PHE A 8 0.123 5.910 6.581 1.00 0.00 C ATOM 91 C PHE A 8 0.856 4.560 6.606 1.00 0.00 C ATOM 92 O PHE A 8 0.250 3.514 6.364 1.00 0.00 O ATOM 93 CB PHE A 8 0.669 6.878 5.514 1.00 0.00 C ATOM 94 CG PHE A 8 1.467 6.231 4.399 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.839 5.394 3.457 1.00 0.00 C ATOM 96 CD2 PHE A 8 2.870 6.317 4.424 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.618 4.691 2.519 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.640 5.621 3.484 1.00 0.00 C ATOM 99 CZ PHE A 8 3.012 4.848 2.497 1.00 0.00 C ATOM 0 H PHE A 8 0.610 7.460 7.898 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.914 5.707 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.170 7.417 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.299 7.618 6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.236 5.292 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.357 6.924 5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.141 4.028 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.718 5.680 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.599 4.376 1.723 1.00 0.00 H new ATOM 108 N GLU A 9 2.150 4.591 6.940 1.00 0.00 N ATOM 109 CA GLU A 9 2.990 3.427 7.138 1.00 0.00 C ATOM 110 C GLU A 9 2.229 2.390 7.935 1.00 0.00 C ATOM 111 O GLU A 9 1.979 1.290 7.459 1.00 0.00 O ATOM 112 CB GLU A 9 4.260 3.830 7.898 1.00 0.00 C ATOM 113 CG GLU A 9 5.313 4.389 6.949 1.00 0.00 C ATOM 114 CD GLU A 9 6.388 5.152 7.703 1.00 0.00 C ATOM 115 OE1 GLU A 9 7.385 4.538 8.143 1.00 0.00 O ATOM 116 OE2 GLU A 9 6.259 6.389 7.837 1.00 0.00 O ATOM 0 H GLU A 9 2.652 5.467 7.083 1.00 0.00 H new ATOM 0 HA GLU A 9 3.268 3.011 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.014 4.576 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.663 2.965 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.769 3.573 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.838 5.049 6.223 1.00 0.00 H new ATOM 121 N ARG A 10 1.814 2.754 9.142 1.00 0.00 N ATOM 122 CA ARG A 10 1.291 1.775 10.069 1.00 0.00 C ATOM 123 C ARG A 10 0.027 1.050 9.572 1.00 0.00 C ATOM 124 O ARG A 10 -0.357 0.066 10.200 1.00 0.00 O ATOM 125 CB ARG A 10 1.098 2.436 11.440 1.00 0.00 C ATOM 126 CG ARG A 10 2.468 2.760 12.064 1.00 0.00 C ATOM 127 CD ARG A 10 2.952 1.636 12.984 1.00 0.00 C ATOM 128 NE ARG A 10 2.540 1.892 14.373 1.00 0.00 N ATOM 129 CZ ARG A 10 3.290 2.510 15.303 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.452 3.079 14.959 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.872 2.566 16.573 1.00 0.00 N ATOM 0 H ARG A 10 1.831 3.711 9.494 1.00 0.00 H new ATOM 0 HA ARG A 10 2.026 0.975 10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.512 3.349 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.537 1.772 12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.199 2.922 11.272 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.399 3.689 12.630 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.545 0.682 12.648 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.038 1.556 12.930 1.00 0.00 H new ATOM 0 HE ARG A 10 1.612 1.576 14.653 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.770 3.044 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.019 3.547 15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.984 2.140 16.837 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.442 3.035 17.277 1.00 0.00 H new ATOM 142 N GLN A 11 -0.623 1.501 8.485 1.00 0.00 N ATOM 143 CA GLN A 11 -1.775 0.818 7.893 1.00 0.00 C ATOM 144 C GLN A 11 -1.524 0.298 6.468 1.00 0.00 C ATOM 145 O GLN A 11 -2.448 -0.238 5.862 1.00 0.00 O ATOM 146 CB GLN A 11 -3.000 1.739 7.938 1.00 0.00 C ATOM 147 CG GLN A 11 -2.902 2.942 6.991 1.00 0.00 C ATOM 148 CD GLN A 11 -4.111 3.858 7.130 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.976 3.906 6.260 1.00 0.00 O ATOM 150 NE2 GLN A 11 -4.171 4.606 8.230 1.00 0.00 N ATOM 0 H GLN A 11 -0.358 2.355 7.994 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.959 -0.072 8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.888 1.160 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.135 2.100 8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.992 3.503 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.825 2.592 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.434 4.540 8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.954 5.245 8.370 1.00 0.00 H new ATOM 157 N HIS A 12 -0.330 0.494 5.895 1.00 0.00 N ATOM 158 CA HIS A 12 -0.064 0.194 4.481 1.00 0.00 C ATOM 159 C HIS A 12 1.324 -0.429 4.269 1.00 0.00 C ATOM 160 O HIS A 12 1.589 -1.046 3.239 1.00 0.00 O ATOM 161 CB HIS A 12 -0.238 1.497 3.689 1.00 0.00 C ATOM 162 CG HIS A 12 -0.251 1.341 2.190 1.00 0.00 C ATOM 163 ND1 HIS A 12 -1.391 1.291 1.410 1.00 0.00 N ATOM 164 CD2 HIS A 12 0.839 1.220 1.371 1.00 0.00 C ATOM 165 CE1 HIS A 12 -0.998 1.159 0.129 1.00 0.00 C ATOM 166 NE2 HIS A 12 0.347 1.087 0.087 1.00 0.00 N ATOM 0 H HIS A 12 0.478 0.864 6.396 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.770 -0.556 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.171 1.969 3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 12 0.568 2.178 3.960 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -2.353 1.344 1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.877 1.227 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.655 1.117 -0.727 1.00 0.00 H new ATOM 174 N MET A 13 2.221 -0.262 5.233 1.00 0.00 N ATOM 175 CA MET A 13 3.521 -0.894 5.313 1.00 0.00 C ATOM 176 C MET A 13 3.473 -1.907 6.462 1.00 0.00 C ATOM 177 O MET A 13 3.202 -1.536 7.603 1.00 0.00 O ATOM 178 CB MET A 13 4.586 0.200 5.501 1.00 0.00 C ATOM 179 CG MET A 13 5.998 -0.347 5.287 1.00 0.00 C ATOM 180 SD MET A 13 6.647 -1.392 6.612 1.00 0.00 S ATOM 181 CE MET A 13 7.912 -2.271 5.679 1.00 0.00 C ATOM 0 H MET A 13 2.044 0.356 6.025 1.00 0.00 H new ATOM 0 HA MET A 13 3.785 -1.435 4.404 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.400 1.014 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.505 0.619 6.504 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.008 -0.920 4.360 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.676 0.495 5.149 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.543 -2.837 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.436 -2.955 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.524 -1.554 5.131 1.00 0.00 H new ATOM 189 N ASP A 14 3.705 -3.183 6.146 1.00 0.00 N ATOM 190 CA ASP A 14 3.769 -4.303 7.068 1.00 0.00 C ATOM 191 C ASP A 14 5.111 -5.009 6.798 1.00 0.00 C ATOM 192 O ASP A 14 5.833 -4.666 5.859 1.00 0.00 O ATOM 193 CB ASP A 14 2.491 -5.146 6.838 1.00 0.00 C ATOM 194 CG ASP A 14 2.392 -6.508 7.520 1.00 0.00 C ATOM 195 OD1 ASP A 14 3.187 -6.791 8.439 1.00 0.00 O ATOM 196 OD2 ASP A 14 1.552 -7.302 7.041 1.00 0.00 O ATOM 0 H ASP A 14 3.862 -3.472 5.180 1.00 0.00 H new ATOM 0 HA ASP A 14 3.767 -4.047 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.637 -4.550 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.384 -5.303 5.765 1.00 0.00 H new ATOM 200 N SER A 15 5.476 -5.974 7.633 1.00 0.00 N ATOM 201 CA SER A 15 6.677 -6.784 7.507 1.00 0.00 C ATOM 202 C SER A 15 6.389 -8.265 7.783 1.00 0.00 C ATOM 203 O SER A 15 7.333 -9.042 7.902 1.00 0.00 O ATOM 204 CB SER A 15 7.766 -6.217 8.424 1.00 0.00 C ATOM 205 OG SER A 15 7.265 -6.040 9.736 1.00 0.00 O ATOM 0 H SER A 15 4.918 -6.222 8.450 1.00 0.00 H new ATOM 0 HA SER A 15 7.037 -6.738 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.622 -6.892 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.120 -5.264 8.032 1.00 0.00 H new ATOM 0 HG SER A 15 7.972 -5.679 10.310 1.00 0.00 H new ATOM 270 N SER A 22 -3.013 -14.862 2.400 1.00 0.00 N ATOM 271 CA SER A 22 -4.414 -15.108 2.112 1.00 0.00 C ATOM 272 C SER A 22 -5.203 -14.028 2.854 1.00 0.00 C ATOM 273 O SER A 22 -4.601 -13.173 3.515 1.00 0.00 O ATOM 274 CB SER A 22 -4.834 -16.525 2.527 1.00 0.00 C ATOM 275 OG SER A 22 -6.190 -16.743 2.180 1.00 0.00 O ATOM 0 HA SER A 22 -4.611 -15.055 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.200 -17.262 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.698 -16.655 3.601 1.00 0.00 H new ATOM 0 HG SER A 22 -6.454 -17.649 2.445 1.00 0.00 H new ATOM 280 N SER A 23 -6.533 -14.077 2.749 1.00 0.00 N ATOM 281 CA SER A 23 -7.486 -13.135 3.330 1.00 0.00 C ATOM 282 C SER A 23 -7.236 -12.914 4.825 1.00 0.00 C ATOM 283 O SER A 23 -7.579 -11.859 5.366 1.00 0.00 O ATOM 284 CB SER A 23 -8.901 -13.665 3.077 1.00 0.00 C ATOM 285 OG SER A 23 -8.920 -15.064 3.297 1.00 0.00 O ATOM 0 H SER A 23 -6.998 -14.819 2.226 1.00 0.00 H new ATOM 0 HA SER A 23 -7.362 -12.162 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.611 -13.171 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.209 -13.441 2.056 1.00 0.00 H new ATOM 0 HG SER A 23 -9.824 -15.408 3.138 1.00 0.00 H new ATOM 290 N ASN A 24 -6.636 -13.902 5.492 1.00 0.00 N ATOM 291 CA ASN A 24 -6.219 -13.825 6.881 1.00 0.00 C ATOM 292 C ASN A 24 -5.592 -12.477 7.206 1.00 0.00 C ATOM 293 O ASN A 24 -6.127 -11.739 8.026 1.00 0.00 O ATOM 294 CB ASN A 24 -5.253 -14.965 7.228 1.00 0.00 C ATOM 295 CG ASN A 24 -5.833 -16.338 6.909 1.00 0.00 C ATOM 296 OD1 ASN A 24 -6.038 -16.656 5.741 1.00 0.00 O ATOM 297 ND2 ASN A 24 -6.098 -17.159 7.921 1.00 0.00 N ATOM 0 H ASN A 24 -6.424 -14.802 5.062 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.114 -13.931 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.323 -14.830 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.004 -14.916 8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.484 -18.085 7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.915 -16.862 8.880 1.00 0.00 H new ATOM 303 N TYR A 25 -4.471 -12.136 6.566 1.00 0.00 N ATOM 304 CA TYR A 25 -3.720 -10.944 6.944 1.00 0.00 C ATOM 305 C TYR A 25 -4.546 -9.683 6.738 1.00 0.00 C ATOM 306 O TYR A 25 -4.469 -8.761 7.548 1.00 0.00 O ATOM 307 CB TYR A 25 -2.430 -10.831 6.129 1.00 0.00 C ATOM 308 CG TYR A 25 -1.497 -12.022 6.154 1.00 0.00 C ATOM 309 CD1 TYR A 25 -1.512 -12.964 7.202 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.560 -12.148 5.118 1.00 0.00 C ATOM 311 CE1 TYR A 25 -0.653 -14.073 7.159 1.00 0.00 C ATOM 312 CE2 TYR A 25 0.344 -13.220 5.109 1.00 0.00 C ATOM 313 CZ TYR A 25 0.269 -14.206 6.108 1.00 0.00 C ATOM 314 OH TYR A 25 1.068 -15.308 6.041 1.00 0.00 O ATOM 0 H TYR A 25 -4.069 -12.664 5.792 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.475 -11.042 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.700 -10.634 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.879 -9.961 6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.184 -12.833 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.535 -11.416 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.701 -14.824 7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.096 -13.288 4.337 1.00 0.00 H new ATOM 0 HH TYR A 25 1.647 -15.245 5.253 1.00 0.00 H new ATOM 323 N CYS A 26 -5.330 -9.660 5.655 1.00 0.00 N ATOM 324 CA CYS A 26 -6.167 -8.520 5.306 1.00 0.00 C ATOM 325 C CYS A 26 -7.044 -8.224 6.513 1.00 0.00 C ATOM 326 O CYS A 26 -6.960 -7.162 7.126 1.00 0.00 O ATOM 327 CB CYS A 26 -7.073 -8.853 4.108 1.00 0.00 C ATOM 328 SG CYS A 26 -6.573 -8.334 2.458 1.00 0.00 S ATOM 0 H CYS A 26 -5.398 -10.437 4.997 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.542 -7.669 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.204 -9.935 4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.052 -8.418 4.306 1.00 0.00 H new ATOM 332 N ASN A 27 -7.886 -9.202 6.846 1.00 0.00 N ATOM 333 CA ASN A 27 -8.897 -9.027 7.871 1.00 0.00 C ATOM 334 C ASN A 27 -8.232 -8.847 9.232 1.00 0.00 C ATOM 335 O ASN A 27 -8.618 -7.966 9.995 1.00 0.00 O ATOM 336 CB ASN A 27 -9.861 -10.221 7.894 1.00 0.00 C ATOM 337 CG ASN A 27 -10.709 -10.309 6.628 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.802 -9.758 6.566 1.00 0.00 O ATOM 339 ND2 ASN A 27 -10.225 -10.999 5.599 1.00 0.00 N ATOM 0 H ASN A 27 -7.882 -10.126 6.414 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.476 -8.132 7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.291 -11.143 8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.516 -10.139 8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.766 -11.077 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.313 -11.450 5.671 1.00 0.00 H new ATOM 345 N LEU A 28 -7.235 -9.681 9.535 1.00 0.00 N ATOM 346 CA LEU A 28 -6.517 -9.665 10.800 1.00 0.00 C ATOM 347 C LEU A 28 -5.955 -8.271 11.046 1.00 0.00 C ATOM 348 O LEU A 28 -6.298 -7.630 12.036 1.00 0.00 O ATOM 349 CB LEU A 28 -5.408 -10.734 10.787 1.00 0.00 C ATOM 350 CG LEU A 28 -4.703 -11.035 12.123 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.761 -9.920 12.593 1.00 0.00 C ATOM 352 CD2 LEU A 28 -5.694 -11.403 13.233 1.00 0.00 C ATOM 0 H LEU A 28 -6.902 -10.399 8.891 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.196 -9.905 11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.840 -11.664 10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.650 -10.425 10.067 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.079 -11.904 11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.303 -10.206 13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.983 -9.762 11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.327 -8.998 12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.149 -11.606 14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.384 -10.574 13.394 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.255 -12.290 12.940 1.00 0.00 H new ATOM 363 N MET A 29 -5.090 -7.787 10.153 1.00 0.00 N ATOM 364 CA MET A 29 -4.427 -6.517 10.384 1.00 0.00 C ATOM 365 C MET A 29 -5.429 -5.361 10.316 1.00 0.00 C ATOM 366 O MET A 29 -5.328 -4.440 11.124 1.00 0.00 O ATOM 367 CB MET A 29 -3.215 -6.354 9.461 1.00 0.00 C ATOM 368 CG MET A 29 -2.366 -5.140 9.874 1.00 0.00 C ATOM 369 SD MET A 29 -0.734 -5.043 9.091 1.00 0.00 S ATOM 370 CE MET A 29 -0.190 -3.415 9.665 1.00 0.00 C ATOM 0 H MET A 29 -4.840 -8.251 9.280 1.00 0.00 H new ATOM 0 HA MET A 29 -4.025 -6.500 11.397 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.605 -7.257 9.493 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.551 -6.233 8.431 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.920 -4.231 9.638 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.233 -5.160 10.956 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.803 -3.203 9.269 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.889 -2.654 9.318 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.155 -3.406 10.754 1.00 0.00 H new ATOM 378 N MET A 30 -6.417 -5.405 9.410 1.00 0.00 N ATOM 379 CA MET A 30 -7.499 -4.422 9.421 1.00 0.00 C ATOM 380 C MET A 30 -8.170 -4.368 10.796 1.00 0.00 C ATOM 381 O MET A 30 -8.377 -3.281 11.332 1.00 0.00 O ATOM 382 CB MET A 30 -8.536 -4.731 8.333 1.00 0.00 C ATOM 383 CG MET A 30 -8.017 -4.345 6.945 1.00 0.00 C ATOM 384 SD MET A 30 -8.074 -2.573 6.585 1.00 0.00 S ATOM 385 CE MET A 30 -7.355 -2.540 4.930 1.00 0.00 C ATOM 0 H MET A 30 -6.485 -6.104 8.670 1.00 0.00 H new ATOM 0 HA MET A 30 -7.063 -3.445 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.779 -5.793 8.350 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.459 -4.189 8.542 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.987 -4.689 6.848 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.602 -4.874 6.193 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.419 -1.530 4.526 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.310 -2.845 4.981 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.902 -3.225 4.282 1.00 0.00 H new ATOM 393 N CYS A 31 -8.506 -5.530 11.361 1.00 0.00 N ATOM 394 CA CYS A 31 -9.173 -5.649 12.653 1.00 0.00 C ATOM 395 C CYS A 31 -8.285 -5.147 13.791 1.00 0.00 C ATOM 396 O CYS A 31 -8.706 -4.299 14.573 1.00 0.00 O ATOM 397 CB CYS A 31 -9.588 -7.101 12.900 1.00 0.00 C ATOM 398 SG CYS A 31 -10.351 -7.194 14.533 1.00 0.00 S ATOM 0 H CYS A 31 -8.317 -6.431 10.922 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.065 -5.023 12.629 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.288 -7.433 12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.721 -7.759 12.847 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.717 -8.418 14.772 1.00 0.00 H new ATOM 403 N CYS A 32 -7.049 -5.646 13.875 1.00 0.00 N ATOM 404 CA CYS A 32 -6.103 -5.280 14.926 1.00 0.00 C ATOM 405 C CYS A 32 -5.767 -3.793 14.859 1.00 0.00 C ATOM 406 O CYS A 32 -5.695 -3.120 15.885 1.00 0.00 O ATOM 407 CB CYS A 32 -4.823 -6.119 14.827 1.00 0.00 C ATOM 408 SG CYS A 32 -5.108 -7.762 15.530 1.00 0.00 S ATOM 0 H CYS A 32 -6.676 -6.321 13.208 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.575 -5.485 15.887 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.516 -6.208 13.785 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.010 -5.623 15.358 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.020 -8.467 15.440 1.00 0.00 H new ATOM 413 N ARG A 33 -5.550 -3.265 13.652 1.00 0.00 N ATOM 414 CA ARG A 33 -5.379 -1.831 13.458 1.00 0.00 C ATOM 415 C ARG A 33 -6.688 -1.095 13.756 1.00 0.00 C ATOM 416 O ARG A 33 -6.675 0.054 14.193 1.00 0.00 O ATOM 417 CB ARG A 33 -4.869 -1.558 12.032 1.00 0.00 C ATOM 418 CG ARG A 33 -4.353 -0.128 11.807 1.00 0.00 C ATOM 419 CD ARG A 33 -2.864 0.040 12.158 1.00 0.00 C ATOM 420 NE ARG A 33 -2.517 -0.368 13.531 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.881 0.260 14.662 1.00 0.00 C ATOM 422 NH1 ARG A 33 -3.586 1.393 14.598 1.00 0.00 N ATOM 423 NH2 ARG A 33 -2.561 -0.268 15.850 1.00 0.00 N ATOM 0 H ARG A 33 -5.489 -3.814 12.795 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.632 -1.451 14.156 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.067 -2.261 11.805 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.676 -1.756 11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.507 0.147 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.942 0.563 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.269 -0.544 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.585 1.085 12.020 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.946 -1.207 13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.847 1.780 13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.863 1.871 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.042 -1.145 15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.836 0.207 16.710 1.00 0.00 H new ATOM 434 N LYS A 34 -7.801 -1.778 13.496 1.00 0.00 N ATOM 435 CA LYS A 34 -9.176 -1.340 13.624 1.00 0.00 C ATOM 436 C LYS A 34 -9.482 -0.237 12.618 1.00 0.00 C ATOM 437 O LYS A 34 -10.050 0.804 12.937 1.00 0.00 O ATOM 438 CB LYS A 34 -9.573 -1.056 15.081 1.00 0.00 C ATOM 439 CG LYS A 34 -10.934 -1.694 15.403 1.00 0.00 C ATOM 440 CD LYS A 34 -12.044 -1.213 14.453 1.00 0.00 C ATOM 441 CE LYS A 34 -13.400 -1.873 14.736 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.009 -1.382 15.987 1.00 0.00 N ATOM 0 H LYS A 34 -7.751 -2.740 13.160 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.840 -2.161 13.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.812 -1.450 15.755 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.621 0.020 15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.849 -2.779 15.338 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.210 -1.457 16.430 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.147 -0.131 14.541 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.751 -1.423 13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.077 -1.679 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.271 -2.954 14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.021 -1.621 15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.539 -1.829 16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.896 -0.350 16.046 1.00 0.00 H new ATOM 452 N MET A 35 -9.150 -0.530 11.361 1.00 0.00 N ATOM 453 CA MET A 35 -9.484 0.319 10.232 1.00 0.00 C ATOM 454 C MET A 35 -10.991 0.339 9.985 1.00 0.00 C ATOM 455 O MET A 35 -11.523 1.337 9.501 1.00 0.00 O ATOM 456 CB MET A 35 -8.748 -0.197 8.990 1.00 0.00 C ATOM 457 CG MET A 35 -7.244 0.108 9.029 1.00 0.00 C ATOM 458 SD MET A 35 -6.699 1.520 8.031 1.00 0.00 S ATOM 459 CE MET A 35 -7.616 2.882 8.782 1.00 0.00 C ATOM 0 H MET A 35 -8.637 -1.373 11.102 1.00 0.00 H new ATOM 0 HA MET A 35 -9.173 1.341 10.450 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.895 -1.274 8.906 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.184 0.255 8.099 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.955 0.286 10.065 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.704 -0.778 8.696 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.322 3.821 8.313 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.685 2.724 8.639 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.395 2.925 9.849 1.00 0.00 H new ATOM 467 N THR A 36 -11.684 -0.756 10.301 1.00 0.00 N ATOM 468 CA THR A 36 -13.084 -0.977 9.982 1.00 0.00 C ATOM 469 C THR A 36 -14.018 -0.215 10.941 1.00 0.00 C ATOM 470 O THR A 36 -14.940 -0.786 11.522 1.00 0.00 O ATOM 471 CB THR A 36 -13.306 -2.498 9.994 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.638 -3.047 11.119 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.704 -3.135 8.736 1.00 0.00 C ATOM 0 H THR A 36 -11.265 -1.538 10.804 1.00 0.00 H new ATOM 0 HA THR A 36 -13.331 -0.580 8.997 1.00 0.00 H new ATOM 0 HB THR A 36 -14.377 -2.697 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.986 -2.637 11.938 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.869 -4.212 8.759 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.181 -2.714 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.633 -2.933 8.702 1.00 0.00 H new ATOM 481 N GLN A 37 -13.779 1.088 11.109 1.00 0.00 N ATOM 482 CA GLN A 37 -14.660 2.010 11.810 1.00 0.00 C ATOM 483 C GLN A 37 -15.629 2.621 10.802 1.00 0.00 C ATOM 484 O GLN A 37 -15.202 3.336 9.897 1.00 0.00 O ATOM 485 CB GLN A 37 -13.833 3.130 12.457 1.00 0.00 C ATOM 486 CG GLN A 37 -13.063 2.666 13.698 1.00 0.00 C ATOM 487 CD GLN A 37 -13.990 2.358 14.873 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.100 1.214 15.314 1.00 0.00 O ATOM 489 NE2 GLN A 37 -14.677 3.369 15.392 1.00 0.00 N ATOM 0 H GLN A 37 -12.939 1.539 10.747 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.208 1.476 12.586 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.128 3.523 11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.496 3.950 12.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.484 1.776 13.452 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.352 3.438 13.992 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.569 4.308 15.010 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.312 3.206 16.173 1.00 0.00 H new ATOM 496 N GLY A 38 -16.933 2.360 10.937 1.00 0.00 N ATOM 497 CA GLY A 38 -17.968 3.062 10.178 1.00 0.00 C ATOM 498 C GLY A 38 -18.104 2.582 8.733 1.00 0.00 C ATOM 499 O GLY A 38 -19.213 2.524 8.209 1.00 0.00 O ATOM 0 H GLY A 38 -17.299 1.655 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.925 2.937 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.745 4.129 10.177 1.00 0.00 H new ATOM 502 N LYS A 39 -16.989 2.246 8.089 1.00 0.00 N ATOM 503 CA LYS A 39 -16.912 1.670 6.765 1.00 0.00 C ATOM 504 C LYS A 39 -15.783 0.638 6.771 1.00 0.00 C ATOM 505 O LYS A 39 -15.139 0.436 7.801 1.00 0.00 O ATOM 506 CB LYS A 39 -16.694 2.788 5.735 1.00 0.00 C ATOM 507 CG LYS A 39 -15.354 3.520 5.920 1.00 0.00 C ATOM 508 CD LYS A 39 -15.314 4.912 5.271 1.00 0.00 C ATOM 509 CE LYS A 39 -15.498 4.911 3.745 1.00 0.00 C ATOM 510 NZ LYS A 39 -16.913 4.774 3.335 1.00 0.00 N ATOM 0 H LYS A 39 -16.068 2.379 8.507 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.837 1.165 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.735 2.364 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.509 3.508 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.149 3.620 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.556 2.909 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.093 5.529 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.360 5.382 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.094 5.837 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.920 4.093 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.080 5.332 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.124 3.773 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.530 5.120 4.097 1.00 0.00 H new ATOM 520 N CYS A 40 -15.535 0.009 5.623 1.00 0.00 N ATOM 521 CA CYS A 40 -14.414 -0.891 5.378 1.00 0.00 C ATOM 522 C CYS A 40 -13.673 -0.358 4.148 1.00 0.00 C ATOM 523 O CYS A 40 -14.182 0.547 3.480 1.00 0.00 O ATOM 524 CB CYS A 40 -14.957 -2.318 5.260 1.00 0.00 C ATOM 525 SG CYS A 40 -13.831 -3.572 4.630 1.00 0.00 S ATOM 0 H CYS A 40 -16.136 0.119 4.806 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.686 -0.929 6.188 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.297 -2.633 6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.834 -2.294 4.613 1.00 0.00 H new ATOM 529 N LYS A 41 -12.421 -0.777 3.943 1.00 0.00 N ATOM 530 CA LYS A 41 -11.530 -0.162 2.971 1.00 0.00 C ATOM 531 C LYS A 41 -11.581 -0.953 1.652 1.00 0.00 C ATOM 532 O LYS A 41 -11.102 -2.079 1.616 1.00 0.00 O ATOM 533 CB LYS A 41 -10.111 -0.126 3.578 1.00 0.00 C ATOM 534 CG LYS A 41 -9.417 1.246 3.506 1.00 0.00 C ATOM 535 CD LYS A 41 -9.000 1.555 2.066 1.00 0.00 C ATOM 536 CE LYS A 41 -7.998 2.717 1.989 1.00 0.00 C ATOM 537 NZ LYS A 41 -7.587 2.984 0.596 1.00 0.00 N ATOM 0 H LYS A 41 -12.001 -1.555 4.451 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.836 0.859 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.169 -0.435 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.491 -0.859 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.090 2.021 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.541 1.253 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.557 0.665 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.884 1.800 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.446 3.614 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.120 2.482 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.824 3.691 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.247 2.103 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.400 3.346 0.058 1.00 0.00 H new ATOM 547 N PRO A 42 -12.083 -0.385 0.542 1.00 0.00 N ATOM 548 CA PRO A 42 -12.233 -1.115 -0.709 1.00 0.00 C ATOM 549 C PRO A 42 -10.904 -1.636 -1.260 1.00 0.00 C ATOM 550 O PRO A 42 -10.879 -2.721 -1.840 1.00 0.00 O ATOM 551 CB PRO A 42 -12.944 -0.165 -1.678 1.00 0.00 C ATOM 552 CG PRO A 42 -12.688 1.223 -1.093 1.00 0.00 C ATOM 553 CD PRO A 42 -12.620 0.955 0.411 1.00 0.00 C ATOM 0 HA PRO A 42 -12.821 -2.020 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.543 -0.252 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.011 -0.382 -1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.760 1.654 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.488 1.920 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.982 1.684 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.607 1.029 0.868 1.00 0.00 H new ATOM 558 N VAL A 43 -9.817 -0.865 -1.104 1.00 0.00 N ATOM 559 CA VAL A 43 -8.502 -1.179 -1.663 1.00 0.00 C ATOM 560 C VAL A 43 -7.390 -0.654 -0.744 1.00 0.00 C ATOM 561 O VAL A 43 -7.374 0.539 -0.433 1.00 0.00 O ATOM 562 CB VAL A 43 -8.347 -0.578 -3.080 1.00 0.00 C ATOM 563 CG1 VAL A 43 -8.999 -1.459 -4.149 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.907 0.847 -3.215 1.00 0.00 C ATOM 0 H VAL A 43 -9.832 0.008 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.417 -2.263 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.269 -0.533 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.867 -1.000 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.532 -2.444 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.063 -1.561 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.762 1.200 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.971 0.843 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.386 1.510 -2.524 1.00 0.00 H new ATOM 574 N ASN A 44 -6.445 -1.498 -0.312 1.00 0.00 N ATOM 575 CA ASN A 44 -5.291 -1.069 0.472 1.00 0.00 C ATOM 576 C ASN A 44 -4.102 -2.000 0.273 1.00 0.00 C ATOM 577 O ASN A 44 -4.136 -3.129 0.738 1.00 0.00 O ATOM 578 CB ASN A 44 -5.615 -1.067 1.969 1.00 0.00 C ATOM 579 CG ASN A 44 -4.423 -0.529 2.761 1.00 0.00 C ATOM 580 OD1 ASN A 44 -3.876 0.521 2.423 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.002 -1.241 3.797 1.00 0.00 N ATOM 0 H ASN A 44 -6.464 -2.500 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.045 -0.064 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.495 -0.452 2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.855 -2.078 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.201 -0.923 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.479 -2.107 4.049 1.00 0.00 H new ATOM 587 N THR A 45 -3.015 -1.532 -0.334 1.00 0.00 N ATOM 588 CA THR A 45 -1.863 -2.391 -0.538 1.00 0.00 C ATOM 589 C THR A 45 -1.027 -2.498 0.744 1.00 0.00 C ATOM 590 O THR A 45 -0.655 -1.468 1.293 1.00 0.00 O ATOM 591 CB THR A 45 -1.056 -1.886 -1.736 1.00 0.00 C ATOM 592 OG1 THR A 45 -1.931 -1.348 -2.705 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.214 -3.007 -2.343 1.00 0.00 C ATOM 0 H THR A 45 -2.912 -0.580 -0.686 1.00 0.00 H new ATOM 0 HA THR A 45 -2.194 -3.404 -0.768 1.00 0.00 H new ATOM 0 HB THR A 45 -0.376 -1.107 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.357 -2.077 -3.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.349 -2.620 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.478 -3.389 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.868 -3.813 -2.678 1.00 0.00 H new ATOM 601 N PHE A 46 -0.723 -3.707 1.224 1.00 0.00 N ATOM 602 CA PHE A 46 0.139 -3.915 2.385 1.00 0.00 C ATOM 603 C PHE A 46 1.526 -4.319 1.891 1.00 0.00 C ATOM 604 O PHE A 46 1.695 -5.440 1.410 1.00 0.00 O ATOM 605 CB PHE A 46 -0.421 -5.003 3.311 1.00 0.00 C ATOM 606 CG PHE A 46 -1.662 -4.621 4.095 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.899 -4.534 3.439 1.00 0.00 C ATOM 608 CD2 PHE A 46 -1.620 -4.548 5.499 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.096 -4.570 4.175 1.00 0.00 C ATOM 610 CE2 PHE A 46 -2.818 -4.503 6.230 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.052 -4.629 5.576 1.00 0.00 C ATOM 0 H PHE A 46 -1.072 -4.573 0.813 1.00 0.00 H new ATOM 0 HA PHE A 46 0.191 -2.989 2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.649 -5.884 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.358 -5.291 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.932 -4.439 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.670 -4.527 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.047 -4.552 3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.789 -4.371 7.301 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.959 -4.770 6.145 1.00 0.00 H new ATOM 620 N VAL A 47 2.520 -3.441 2.027 1.00 0.00 N ATOM 621 CA VAL A 47 3.904 -3.789 1.707 1.00 0.00 C ATOM 622 C VAL A 47 4.390 -4.824 2.726 1.00 0.00 C ATOM 623 O VAL A 47 3.929 -4.799 3.864 1.00 0.00 O ATOM 624 CB VAL A 47 4.793 -2.529 1.700 1.00 0.00 C ATOM 625 CG1 VAL A 47 6.230 -2.848 1.265 1.00 0.00 C ATOM 626 CG2 VAL A 47 4.224 -1.410 0.811 1.00 0.00 C ATOM 0 H VAL A 47 2.392 -2.484 2.356 1.00 0.00 H new ATOM 0 HA VAL A 47 3.964 -4.220 0.708 1.00 0.00 H new ATOM 0 HB VAL A 47 4.805 -2.172 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.824 -1.934 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.667 -3.571 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.221 -3.266 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.889 -0.547 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.142 -1.767 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.238 -1.122 1.175 1.00 0.00 H new ATOM 636 N HIS A 48 5.285 -5.733 2.322 1.00 0.00 N ATOM 637 CA HIS A 48 5.909 -6.737 3.176 1.00 0.00 C ATOM 638 C HIS A 48 7.415 -6.682 2.992 1.00 0.00 C ATOM 639 O HIS A 48 7.986 -7.561 2.357 1.00 0.00 O ATOM 640 CB HIS A 48 5.353 -8.130 2.841 1.00 0.00 C ATOM 641 CG HIS A 48 4.043 -8.470 3.508 1.00 0.00 C ATOM 642 ND1 HIS A 48 3.247 -9.563 3.211 1.00 0.00 N ATOM 643 CD2 HIS A 48 3.499 -7.844 4.594 1.00 0.00 C ATOM 644 CE1 HIS A 48 2.240 -9.589 4.108 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.372 -8.548 4.947 1.00 0.00 N ATOM 0 H HIS A 48 5.603 -5.787 1.354 1.00 0.00 H new ATOM 0 HA HIS A 48 5.680 -6.532 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.224 -8.203 1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.093 -8.878 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.883 -6.961 5.084 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.454 -10.328 4.146 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.742 -8.319 5.716 1.00 0.00 H new ATOM 653 N GLU A 49 8.061 -5.667 3.567 1.00 0.00 N ATOM 654 CA GLU A 49 9.504 -5.508 3.447 1.00 0.00 C ATOM 655 C GLU A 49 10.023 -4.777 4.696 1.00 0.00 C ATOM 656 O GLU A 49 9.526 -5.023 5.797 1.00 0.00 O ATOM 657 CB GLU A 49 9.838 -4.834 2.096 1.00 0.00 C ATOM 658 CG GLU A 49 11.200 -5.283 1.534 1.00 0.00 C ATOM 659 CD GLU A 49 11.172 -6.679 0.922 1.00 0.00 C ATOM 660 OE1 GLU A 49 10.322 -6.929 0.035 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.072 -7.486 1.242 1.00 0.00 O ATOM 0 H GLU A 49 7.603 -4.943 4.121 1.00 0.00 H new ATOM 0 HA GLU A 49 10.025 -6.465 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.056 -5.068 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.840 -3.752 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.526 -4.569 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.940 -5.260 2.334 1.00 0.00 H new ATOM 666 N SER A 50 10.998 -3.878 4.537 1.00 0.00 N ATOM 667 CA SER A 50 11.708 -3.217 5.624 1.00 0.00 C ATOM 668 C SER A 50 11.295 -1.746 5.739 1.00 0.00 C ATOM 669 O SER A 50 11.508 -0.964 4.814 1.00 0.00 O ATOM 670 CB SER A 50 13.206 -3.337 5.345 1.00 0.00 C ATOM 671 OG SER A 50 13.570 -4.703 5.336 1.00 0.00 O ATOM 0 H SER A 50 11.322 -3.584 3.616 1.00 0.00 H new ATOM 0 HA SER A 50 11.460 -3.693 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.447 -2.878 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.774 -2.802 6.106 1.00 0.00 H new ATOM 0 HG SER A 50 14.530 -4.785 5.156 1.00 0.00 H new ATOM 676 N LEU A 51 10.728 -1.349 6.885 1.00 0.00 N ATOM 677 CA LEU A 51 10.206 0.003 7.107 1.00 0.00 C ATOM 678 C LEU A 51 11.258 1.071 6.794 1.00 0.00 C ATOM 679 O LEU A 51 10.973 2.049 6.110 1.00 0.00 O ATOM 680 CB LEU A 51 9.645 0.118 8.534 1.00 0.00 C ATOM 681 CG LEU A 51 8.937 1.463 8.798 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.726 1.250 9.716 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.880 2.485 9.452 1.00 0.00 C ATOM 0 H LEU A 51 10.618 -1.964 7.691 1.00 0.00 H new ATOM 0 HA LEU A 51 9.385 0.185 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.942 -0.697 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.459 -0.004 9.249 1.00 0.00 H new ATOM 0 HG LEU A 51 8.616 1.854 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.233 2.206 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.025 0.564 9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.058 0.829 10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.344 3.419 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.237 2.093 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.730 2.669 8.794 1.00 0.00 H new ATOM 694 N ALA A 52 12.486 0.884 7.282 1.00 0.00 N ATOM 695 CA ALA A 52 13.581 1.801 7.002 1.00 0.00 C ATOM 696 C ALA A 52 13.836 1.930 5.496 1.00 0.00 C ATOM 697 O ALA A 52 14.167 3.008 5.007 1.00 0.00 O ATOM 698 CB ALA A 52 14.842 1.327 7.726 1.00 0.00 C ATOM 0 H ALA A 52 12.743 0.097 7.878 1.00 0.00 H new ATOM 0 HA ALA A 52 13.305 2.790 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.662 2.014 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.657 1.300 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.107 0.328 7.379 1.00 0.00 H new ATOM 704 N ASP A 53 13.679 0.832 4.752 1.00 0.00 N ATOM 705 CA ASP A 53 13.921 0.829 3.318 1.00 0.00 C ATOM 706 C ASP A 53 12.803 1.633 2.667 1.00 0.00 C ATOM 707 O ASP A 53 13.066 2.582 1.939 1.00 0.00 O ATOM 708 CB ASP A 53 14.004 -0.617 2.807 1.00 0.00 C ATOM 709 CG ASP A 53 14.779 -0.764 1.503 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.924 0.211 0.729 1.00 0.00 O ATOM 711 OD2 ASP A 53 15.321 -1.865 1.276 1.00 0.00 O ATOM 0 H ASP A 53 13.383 -0.069 5.128 1.00 0.00 H new ATOM 0 HA ASP A 53 14.874 1.293 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.475 -1.236 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.994 -1.001 2.664 1.00 0.00 H new ATOM 715 N VAL A 54 11.550 1.319 3.014 1.00 0.00 N ATOM 716 CA VAL A 54 10.393 2.115 2.606 1.00 0.00 C ATOM 717 C VAL A 54 10.604 3.607 2.888 1.00 0.00 C ATOM 718 O VAL A 54 10.360 4.441 2.018 1.00 0.00 O ATOM 719 CB VAL A 54 9.102 1.560 3.229 1.00 0.00 C ATOM 720 CG1 VAL A 54 7.930 2.464 2.832 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.843 0.141 2.704 1.00 0.00 C ATOM 0 H VAL A 54 11.312 0.507 3.584 1.00 0.00 H new ATOM 0 HA VAL A 54 10.282 2.030 1.525 1.00 0.00 H new ATOM 0 HB VAL A 54 9.203 1.531 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.009 2.079 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.110 3.475 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.836 2.482 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.927 -0.250 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.738 0.168 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.680 -0.504 2.972 1.00 0.00 H new ATOM 731 N LYS A 55 11.077 3.959 4.083 1.00 0.00 N ATOM 732 CA LYS A 55 11.428 5.331 4.417 1.00 0.00 C ATOM 733 C LYS A 55 12.378 5.900 3.354 1.00 0.00 C ATOM 734 O LYS A 55 12.149 6.988 2.830 1.00 0.00 O ATOM 735 CB LYS A 55 12.042 5.370 5.826 1.00 0.00 C ATOM 736 CG LYS A 55 12.082 6.774 6.448 1.00 0.00 C ATOM 737 CD LYS A 55 11.159 6.874 7.672 1.00 0.00 C ATOM 738 CE LYS A 55 9.682 6.923 7.254 1.00 0.00 C ATOM 739 NZ LYS A 55 8.763 6.691 8.382 1.00 0.00 N ATOM 0 H LYS A 55 11.226 3.297 4.845 1.00 0.00 H new ATOM 0 HA LYS A 55 10.537 5.958 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.471 4.710 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.057 4.974 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.104 7.014 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.782 7.512 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.326 6.019 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.407 7.767 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.467 7.895 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.502 6.173 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.816 7.043 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.712 5.672 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.112 7.194 9.223 1.00 0.00 H new ATOM 749 N ALA A 56 13.428 5.147 3.020 1.00 0.00 N ATOM 750 CA ALA A 56 14.387 5.525 1.994 1.00 0.00 C ATOM 751 C ALA A 56 13.790 5.558 0.577 1.00 0.00 C ATOM 752 O ALA A 56 14.225 6.388 -0.215 1.00 0.00 O ATOM 753 CB ALA A 56 15.619 4.618 2.076 1.00 0.00 C ATOM 0 H ALA A 56 13.634 4.251 3.461 1.00 0.00 H new ATOM 0 HA ALA A 56 14.688 6.553 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.334 4.905 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.082 4.721 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.318 3.581 1.924 1.00 0.00 H new ATOM 759 N VAL A 57 12.831 4.683 0.235 1.00 0.00 N ATOM 760 CA VAL A 57 12.250 4.554 -1.108 1.00 0.00 C ATOM 761 C VAL A 57 11.856 5.915 -1.685 1.00 0.00 C ATOM 762 O VAL A 57 12.124 6.176 -2.857 1.00 0.00 O ATOM 763 CB VAL A 57 11.093 3.533 -1.131 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.263 3.648 -2.413 1.00 0.00 C ATOM 765 CG2 VAL A 57 11.622 2.094 -1.049 1.00 0.00 C ATOM 0 H VAL A 57 12.428 4.028 0.905 1.00 0.00 H new ATOM 0 HA VAL A 57 13.022 4.156 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 57 10.471 3.759 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.458 2.913 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.838 4.649 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.901 3.463 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.784 1.397 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.276 1.898 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.182 1.964 -0.123 1.00 0.00 H new ATOM 775 N CYS A 58 11.265 6.790 -0.863 1.00 0.00 N ATOM 776 CA CYS A 58 11.055 8.197 -1.188 1.00 0.00 C ATOM 777 C CYS A 58 12.181 8.779 -2.053 1.00 0.00 C ATOM 778 O CYS A 58 11.935 9.383 -3.092 1.00 0.00 O ATOM 779 CB CYS A 58 10.981 9.015 0.102 1.00 0.00 C ATOM 780 SG CYS A 58 10.967 10.782 -0.271 1.00 0.00 S ATOM 0 H CYS A 58 10.915 6.532 0.060 1.00 0.00 H new ATOM 0 HA CYS A 58 10.124 8.253 -1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.083 8.747 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 58 11.833 8.778 0.739 1.00 0.00 H new ATOM 784 N SER A 59 13.421 8.591 -1.604 1.00 0.00 N ATOM 785 CA SER A 59 14.617 9.154 -2.205 1.00 0.00 C ATOM 786 C SER A 59 15.418 8.103 -2.986 1.00 0.00 C ATOM 787 O SER A 59 16.597 8.330 -3.246 1.00 0.00 O ATOM 788 CB SER A 59 15.460 9.771 -1.088 1.00 0.00 C ATOM 789 OG SER A 59 14.665 10.635 -0.292 1.00 0.00 O ATOM 0 H SER A 59 13.622 8.021 -0.782 1.00 0.00 H new ATOM 0 HA SER A 59 14.333 9.917 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.886 8.983 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.295 10.326 -1.517 1.00 0.00 H new ATOM 0 HG SER A 59 15.215 11.022 0.420 1.00 0.00 H new ATOM 794 N GLN A 60 14.814 6.965 -3.356 1.00 0.00 N ATOM 795 CA GLN A 60 15.477 5.940 -4.155 1.00 0.00 C ATOM 796 C GLN A 60 15.379 6.332 -5.635 1.00 0.00 C ATOM 797 O GLN A 60 16.373 6.771 -6.210 1.00 0.00 O ATOM 798 CB GLN A 60 14.941 4.536 -3.811 1.00 0.00 C ATOM 799 CG GLN A 60 15.603 4.040 -2.510 1.00 0.00 C ATOM 800 CD GLN A 60 15.102 2.683 -2.012 1.00 0.00 C ATOM 801 OE1 GLN A 60 14.562 1.882 -2.771 1.00 0.00 O ATOM 802 NE2 GLN A 60 15.307 2.412 -0.726 1.00 0.00 N ATOM 0 H GLN A 60 13.852 6.735 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 60 16.539 5.882 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.858 4.567 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.152 3.844 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.680 3.978 -2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.437 4.782 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.759 3.102 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.013 1.515 -0.341 1.00 0.00 H new ATOM 809 N LYS A 61 14.202 6.206 -6.261 1.00 0.00 N ATOM 810 CA LYS A 61 14.000 6.619 -7.647 1.00 0.00 C ATOM 811 C LYS A 61 12.704 7.411 -7.794 1.00 0.00 C ATOM 812 O LYS A 61 11.627 6.829 -7.836 1.00 0.00 O ATOM 813 CB LYS A 61 13.995 5.388 -8.567 1.00 0.00 C ATOM 814 CG LYS A 61 15.408 4.909 -8.929 1.00 0.00 C ATOM 815 CD LYS A 61 15.922 5.478 -10.263 1.00 0.00 C ATOM 816 CE LYS A 61 16.024 7.011 -10.268 1.00 0.00 C ATOM 817 NZ LYS A 61 16.636 7.524 -11.510 1.00 0.00 N ATOM 0 H LYS A 61 13.369 5.816 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 61 14.823 7.270 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.456 4.577 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.452 5.626 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.095 5.193 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.413 3.820 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.903 5.054 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.256 5.162 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.029 7.440 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.615 7.337 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.685 8.562 -11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.596 7.136 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.059 7.236 -12.326 1.00 0.00 H new ATOM 827 N LYS A 62 12.788 8.737 -7.935 1.00 0.00 N ATOM 828 CA LYS A 62 11.627 9.515 -8.347 1.00 0.00 C ATOM 829 C LYS A 62 11.205 9.031 -9.736 1.00 0.00 C ATOM 830 O LYS A 62 12.058 8.866 -10.609 1.00 0.00 O ATOM 831 CB LYS A 62 11.964 11.013 -8.336 1.00 0.00 C ATOM 832 CG LYS A 62 10.768 11.905 -8.705 1.00 0.00 C ATOM 833 CD LYS A 62 10.736 12.215 -10.208 1.00 0.00 C ATOM 834 CE LYS A 62 9.627 13.206 -10.575 1.00 0.00 C ATOM 835 NZ LYS A 62 8.276 12.713 -10.236 1.00 0.00 N ATOM 0 H LYS A 62 13.634 9.282 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 62 10.797 9.375 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.324 11.291 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.779 11.201 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.841 11.410 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.821 12.837 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.700 12.623 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.591 11.289 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.804 14.149 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.674 13.415 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.587 13.096 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.265 11.674 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.025 13.022 -9.275 1.00 0.00 H new ATOM 845 N VAL A 63 9.902 8.827 -9.946 1.00 0.00 N ATOM 846 CA VAL A 63 9.312 8.486 -11.234 1.00 0.00 C ATOM 847 C VAL A 63 8.116 9.403 -11.474 1.00 0.00 C ATOM 848 O VAL A 63 7.692 10.137 -10.579 1.00 0.00 O ATOM 849 CB VAL A 63 8.947 6.989 -11.295 1.00 0.00 C ATOM 850 CG1 VAL A 63 10.208 6.144 -11.092 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.875 6.555 -10.282 1.00 0.00 C ATOM 0 H VAL A 63 9.211 8.898 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 63 10.032 8.645 -12.037 1.00 0.00 H new ATOM 0 HB VAL A 63 8.516 6.826 -12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.948 5.086 -11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.930 6.373 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.645 6.371 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.679 5.489 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.228 6.755 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.957 7.113 -10.463 1.00 0.00 H new ATOM 861 N THR A 64 7.600 9.427 -12.698 1.00 0.00 N ATOM 862 CA THR A 64 6.395 10.171 -13.020 1.00 0.00 C ATOM 863 C THR A 64 5.215 9.226 -12.813 1.00 0.00 C ATOM 864 O THR A 64 5.250 8.092 -13.287 1.00 0.00 O ATOM 865 CB THR A 64 6.492 10.695 -14.457 1.00 0.00 C ATOM 866 OG1 THR A 64 7.716 11.393 -14.594 1.00 0.00 O ATOM 867 CG2 THR A 64 5.344 11.657 -14.787 1.00 0.00 C ATOM 0 H THR A 64 8.007 8.931 -13.491 1.00 0.00 H new ATOM 0 HA THR A 64 6.263 11.043 -12.379 1.00 0.00 H new ATOM 0 HB THR A 64 6.434 9.847 -15.139 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.797 11.735 -15.509 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.447 12.007 -15.814 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.392 11.139 -14.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.377 12.509 -14.108 1.00 0.00 H new ATOM 875 N CYS A 65 4.198 9.673 -12.075 1.00 0.00 N ATOM 876 CA CYS A 65 2.972 8.908 -11.893 1.00 0.00 C ATOM 877 C CYS A 65 2.290 8.722 -13.250 1.00 0.00 C ATOM 878 O CYS A 65 2.621 9.417 -14.212 1.00 0.00 O ATOM 879 CB CYS A 65 2.040 9.644 -10.922 1.00 0.00 C ATOM 880 SG CYS A 65 2.724 10.032 -9.291 1.00 0.00 S ATOM 0 H CYS A 65 4.204 10.571 -11.591 1.00 0.00 H new ATOM 0 HA CYS A 65 3.206 7.930 -11.473 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.724 10.576 -11.391 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.145 9.038 -10.782 1.00 0.00 H new ATOM 884 N LYS A 66 1.316 7.813 -13.344 1.00 0.00 N ATOM 885 CA LYS A 66 0.580 7.563 -14.582 1.00 0.00 C ATOM 886 C LYS A 66 -0.467 8.665 -14.806 1.00 0.00 C ATOM 887 O LYS A 66 -1.659 8.383 -14.901 1.00 0.00 O ATOM 888 CB LYS A 66 -0.041 6.163 -14.510 1.00 0.00 C ATOM 889 CG LYS A 66 -0.539 5.667 -15.876 1.00 0.00 C ATOM 890 CD LYS A 66 -1.623 4.592 -15.717 1.00 0.00 C ATOM 891 CE LYS A 66 -1.123 3.377 -14.920 1.00 0.00 C ATOM 892 NZ LYS A 66 -2.175 2.354 -14.761 1.00 0.00 N ATOM 0 H LYS A 66 1.017 7.230 -12.562 1.00 0.00 H new ATOM 0 HA LYS A 66 1.250 7.592 -15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.697 5.462 -14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.873 6.174 -13.806 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.937 6.506 -16.447 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.298 5.262 -16.445 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.489 5.023 -15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.956 4.266 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.264 2.939 -15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.781 3.703 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.799 1.551 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.985 2.765 -14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.483 2.025 -15.698 1.00 0.00 H new ATOM 902 N ASP A 67 0.010 9.911 -14.871 1.00 0.00 N ATOM 903 CA ASP A 67 -0.728 11.165 -14.835 1.00 0.00 C ATOM 904 C ASP A 67 0.324 12.248 -14.547 1.00 0.00 C ATOM 905 O ASP A 67 0.851 12.851 -15.479 1.00 0.00 O ATOM 906 CB ASP A 67 -1.873 11.087 -13.812 1.00 0.00 C ATOM 907 CG ASP A 67 -2.174 12.405 -13.134 1.00 0.00 C ATOM 908 OD1 ASP A 67 -2.801 13.274 -13.779 1.00 0.00 O ATOM 909 OD2 ASP A 67 -1.684 12.530 -11.992 1.00 0.00 O ATOM 0 H ASP A 67 1.013 10.076 -14.958 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.233 11.400 -15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.773 10.733 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.620 10.347 -13.052 1.00 0.00 H new ATOM 913 N GLY A 68 0.714 12.405 -13.276 1.00 0.00 N ATOM 914 CA GLY A 68 1.823 13.248 -12.837 1.00 0.00 C ATOM 915 C GLY A 68 1.419 14.352 -11.854 1.00 0.00 C ATOM 916 O GLY A 68 2.228 15.235 -11.580 1.00 0.00 O ATOM 0 H GLY A 68 0.248 11.931 -12.502 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.580 12.619 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.285 13.706 -13.711 1.00 0.00 H new ATOM 919 N GLN A 69 0.197 14.318 -11.313 1.00 0.00 N ATOM 920 CA GLN A 69 -0.273 15.279 -10.325 1.00 0.00 C ATOM 921 C GLN A 69 0.497 15.063 -9.023 1.00 0.00 C ATOM 922 O GLN A 69 1.196 15.953 -8.542 1.00 0.00 O ATOM 923 CB GLN A 69 -1.788 15.105 -10.123 1.00 0.00 C ATOM 924 CG GLN A 69 -2.353 16.128 -9.127 1.00 0.00 C ATOM 925 CD GLN A 69 -3.841 15.918 -8.848 1.00 0.00 C ATOM 926 OE1 GLN A 69 -4.350 14.803 -8.908 1.00 0.00 O ATOM 927 NE2 GLN A 69 -4.557 16.988 -8.510 1.00 0.00 N ATOM 0 H GLN A 69 -0.498 13.612 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.096 16.299 -10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.297 15.212 -11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.993 14.097 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.799 16.062 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.199 17.134 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.113 17.905 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.549 16.890 -8.295 1.00 0.00 H new ATOM 934 N THR A 70 0.356 13.873 -8.438 1.00 0.00 N ATOM 935 CA THR A 70 1.178 13.452 -7.322 1.00 0.00 C ATOM 936 C THR A 70 2.607 13.222 -7.819 1.00 0.00 C ATOM 937 O THR A 70 2.840 13.012 -9.009 1.00 0.00 O ATOM 938 CB THR A 70 0.538 12.207 -6.686 1.00 0.00 C ATOM 939 OG1 THR A 70 -0.050 11.393 -7.683 1.00 0.00 O ATOM 940 CG2 THR A 70 -0.592 12.643 -5.752 1.00 0.00 C ATOM 0 H THR A 70 -0.333 13.180 -8.730 1.00 0.00 H new ATOM 0 HA THR A 70 1.235 14.215 -6.545 1.00 0.00 H new ATOM 0 HB THR A 70 1.315 11.660 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.654 10.956 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.049 11.763 -5.299 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.190 13.287 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.344 13.190 -6.321 1.00 0.00 H new ATOM 948 N ASN A 71 3.573 13.265 -6.902 1.00 0.00 N ATOM 949 CA ASN A 71 4.957 12.922 -7.186 1.00 0.00 C ATOM 950 C ASN A 71 5.147 11.472 -6.743 1.00 0.00 C ATOM 951 O ASN A 71 4.814 11.152 -5.604 1.00 0.00 O ATOM 952 CB ASN A 71 5.875 13.904 -6.449 1.00 0.00 C ATOM 953 CG ASN A 71 7.308 13.846 -6.966 1.00 0.00 C ATOM 954 OD1 ASN A 71 7.709 12.888 -7.622 1.00 0.00 O ATOM 955 ND2 ASN A 71 8.087 14.896 -6.731 1.00 0.00 N ATOM 0 H ASN A 71 3.411 13.542 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 71 5.208 13.001 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.489 14.917 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.865 13.678 -5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.038 14.917 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.734 15.681 -6.184 1.00 0.00 H new ATOM 961 N CYS A 72 5.593 10.589 -7.643 1.00 0.00 N ATOM 962 CA CYS A 72 5.723 9.162 -7.365 1.00 0.00 C ATOM 963 C CYS A 72 7.191 8.801 -7.167 1.00 0.00 C ATOM 964 O CYS A 72 8.059 9.319 -7.867 1.00 0.00 O ATOM 965 CB CYS A 72 5.128 8.317 -8.496 1.00 0.00 C ATOM 966 SG CYS A 72 3.328 8.207 -8.520 1.00 0.00 S ATOM 0 H CYS A 72 5.874 10.850 -8.588 1.00 0.00 H new ATOM 0 HA CYS A 72 5.168 8.946 -6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.462 8.729 -9.448 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.535 7.308 -8.425 1.00 0.00 H new ATOM 970 N TYR A 73 7.463 7.914 -6.210 1.00 0.00 N ATOM 971 CA TYR A 73 8.793 7.474 -5.830 1.00 0.00 C ATOM 972 C TYR A 73 8.869 5.944 -5.835 1.00 0.00 C ATOM 973 O TYR A 73 8.299 5.274 -4.974 1.00 0.00 O ATOM 974 CB TYR A 73 9.127 8.072 -4.464 1.00 0.00 C ATOM 975 CG TYR A 73 8.880 9.568 -4.403 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.810 10.461 -4.958 1.00 0.00 C ATOM 977 CD2 TYR A 73 7.613 10.050 -4.033 1.00 0.00 C ATOM 978 CE1 TYR A 73 9.539 11.840 -4.959 1.00 0.00 C ATOM 979 CE2 TYR A 73 7.361 11.432 -4.026 1.00 0.00 C ATOM 980 CZ TYR A 73 8.391 12.323 -4.320 1.00 0.00 C ATOM 981 OH TYR A 73 8.254 13.631 -3.960 1.00 0.00 O ATOM 0 H TYR A 73 6.729 7.468 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 73 9.534 7.822 -6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.528 7.578 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.172 7.871 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.731 10.090 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.833 9.358 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.214 12.525 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.373 11.802 -3.794 1.00 0.00 H new ATOM 0 HH TYR A 73 7.688 13.693 -3.163 1.00 0.00 H new ATOM 990 N GLN A 74 9.557 5.402 -6.839 1.00 0.00 N ATOM 991 CA GLN A 74 9.769 3.988 -7.080 1.00 0.00 C ATOM 992 C GLN A 74 10.886 3.454 -6.184 1.00 0.00 C ATOM 993 O GLN A 74 11.928 4.089 -6.018 1.00 0.00 O ATOM 994 CB GLN A 74 10.152 3.821 -8.559 1.00 0.00 C ATOM 995 CG GLN A 74 10.265 2.376 -9.064 1.00 0.00 C ATOM 996 CD GLN A 74 11.281 2.254 -10.197 1.00 0.00 C ATOM 997 OE1 GLN A 74 10.971 2.503 -11.356 1.00 0.00 O ATOM 998 NE2 GLN A 74 12.509 1.858 -9.878 1.00 0.00 N ATOM 0 H GLN A 74 10.007 5.982 -7.547 1.00 0.00 H new ATOM 0 HA GLN A 74 8.863 3.426 -6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.411 4.341 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.107 4.319 -8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.557 1.724 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.290 2.034 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.744 1.656 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.217 1.756 -10.605 1.00 0.00 H new ATOM 1005 N SER A 75 10.672 2.252 -5.648 1.00 0.00 N ATOM 1006 CA SER A 75 11.737 1.482 -5.017 1.00 0.00 C ATOM 1007 C SER A 75 12.881 1.229 -6.007 1.00 0.00 C ATOM 1008 O SER A 75 12.654 1.060 -7.206 1.00 0.00 O ATOM 1009 CB SER A 75 11.167 0.161 -4.487 1.00 0.00 C ATOM 1010 OG SER A 75 12.199 -0.715 -4.079 1.00 0.00 O ATOM 0 H SER A 75 9.762 1.790 -5.640 1.00 0.00 H new ATOM 0 HA SER A 75 12.144 2.051 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.502 0.360 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.567 -0.316 -5.262 1.00 0.00 H new ATOM 0 HG SER A 75 12.199 -1.510 -4.652 1.00 0.00 H new ATOM 1015 N LYS A 76 14.110 1.159 -5.491 1.00 0.00 N ATOM 1016 CA LYS A 76 15.291 0.733 -6.231 1.00 0.00 C ATOM 1017 C LYS A 76 15.029 -0.556 -7.021 1.00 0.00 C ATOM 1018 O LYS A 76 15.358 -0.665 -8.200 1.00 0.00 O ATOM 1019 CB LYS A 76 16.458 0.576 -5.243 1.00 0.00 C ATOM 1020 CG LYS A 76 16.199 -0.489 -4.169 1.00 0.00 C ATOM 1021 CD LYS A 76 17.071 -0.300 -2.924 1.00 0.00 C ATOM 1022 CE LYS A 76 16.653 -1.366 -1.896 1.00 0.00 C ATOM 1023 NZ LYS A 76 16.912 -0.970 -0.499 1.00 0.00 N ATOM 0 H LYS A 76 14.312 1.404 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 76 15.549 1.490 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.361 0.315 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.647 1.534 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.149 -0.459 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.385 -1.477 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.126 -0.405 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.939 0.701 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.590 -1.576 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.187 -2.292 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.623 -1.739 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.927 -0.779 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.369 -0.112 -0.275 1.00 0.00 H new ATOM 1033 N SER A 77 14.442 -1.538 -6.341 1.00 0.00 N ATOM 1034 CA SER A 77 14.285 -2.914 -6.776 1.00 0.00 C ATOM 1035 C SER A 77 12.831 -3.330 -6.550 1.00 0.00 C ATOM 1036 O SER A 77 12.012 -2.525 -6.102 1.00 0.00 O ATOM 1037 CB SER A 77 15.235 -3.779 -5.935 1.00 0.00 C ATOM 1038 OG SER A 77 15.040 -3.488 -4.561 1.00 0.00 O ATOM 0 H SER A 77 14.041 -1.379 -5.417 1.00 0.00 H new ATOM 0 HA SER A 77 14.523 -3.034 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.047 -4.836 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.270 -3.583 -6.217 1.00 0.00 H new ATOM 0 HG SER A 77 15.644 -4.040 -4.021 1.00 0.00 H new ATOM 1043 N THR A 78 12.497 -4.585 -6.851 1.00 0.00 N ATOM 1044 CA THR A 78 11.222 -5.142 -6.459 1.00 0.00 C ATOM 1045 C THR A 78 11.212 -5.358 -4.941 1.00 0.00 C ATOM 1046 O THR A 78 12.236 -5.704 -4.350 1.00 0.00 O ATOM 1047 CB THR A 78 10.991 -6.441 -7.240 1.00 0.00 C ATOM 1048 OG1 THR A 78 12.169 -7.224 -7.207 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.706 -6.106 -8.707 1.00 0.00 C ATOM 0 H THR A 78 13.099 -5.228 -7.366 1.00 0.00 H new ATOM 0 HA THR A 78 10.404 -4.462 -6.695 1.00 0.00 H new ATOM 0 HB THR A 78 10.154 -6.979 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.023 -8.056 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.541 -7.028 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.817 -5.479 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.557 -5.573 -9.130 1.00 0.00 H new ATOM 1057 N MET A 79 10.055 -5.133 -4.316 1.00 0.00 N ATOM 1058 CA MET A 79 9.776 -5.459 -2.931 1.00 0.00 C ATOM 1059 C MET A 79 8.530 -6.342 -2.920 1.00 0.00 C ATOM 1060 O MET A 79 7.745 -6.330 -3.870 1.00 0.00 O ATOM 1061 CB MET A 79 9.545 -4.180 -2.117 1.00 0.00 C ATOM 1062 CG MET A 79 10.838 -3.379 -1.933 1.00 0.00 C ATOM 1063 SD MET A 79 10.671 -1.966 -0.814 1.00 0.00 S ATOM 1064 CE MET A 79 12.392 -1.440 -0.673 1.00 0.00 C ATOM 0 H MET A 79 9.260 -4.701 -4.787 1.00 0.00 H new ATOM 0 HA MET A 79 10.618 -5.982 -2.477 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.802 -3.560 -2.618 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.137 -4.440 -1.140 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.614 -4.043 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.174 -3.022 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.442 -0.504 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.965 -2.205 -0.149 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.810 -1.293 -1.669 1.00 0.00 H new ATOM 1072 N ARG A 80 8.354 -7.098 -1.842 1.00 0.00 N ATOM 1073 CA ARG A 80 7.211 -7.960 -1.629 1.00 0.00 C ATOM 1074 C ARG A 80 6.021 -7.085 -1.240 1.00 0.00 C ATOM 1075 O ARG A 80 6.119 -6.275 -0.312 1.00 0.00 O ATOM 1076 CB ARG A 80 7.538 -8.980 -0.534 1.00 0.00 C ATOM 1077 CG ARG A 80 8.197 -10.251 -1.076 1.00 0.00 C ATOM 1078 CD ARG A 80 9.415 -10.003 -1.964 1.00 0.00 C ATOM 1079 NE ARG A 80 10.512 -9.291 -1.285 1.00 0.00 N ATOM 1080 CZ ARG A 80 11.777 -9.305 -1.723 1.00 0.00 C ATOM 1081 NH1 ARG A 80 12.077 -9.867 -2.892 1.00 0.00 N ATOM 1082 NH2 ARG A 80 12.749 -8.774 -0.990 1.00 0.00 N ATOM 0 H ARG A 80 9.025 -7.124 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 80 6.964 -8.514 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.200 -8.518 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.621 -9.248 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.497 -10.876 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.457 -10.815 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.787 -10.960 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.106 -9.427 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 80 10.297 -8.762 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.341 -10.290 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.042 -9.875 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.534 -8.352 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.710 -8.788 -1.330 1.00 0.00 H new ATOM 1093 N ILE A 81 4.893 -7.253 -1.935 1.00 0.00 N ATOM 1094 CA ILE A 81 3.665 -6.548 -1.621 1.00 0.00 C ATOM 1095 C ILE A 81 2.513 -7.539 -1.601 1.00 0.00 C ATOM 1096 O ILE A 81 2.447 -8.454 -2.417 1.00 0.00 O ATOM 1097 CB ILE A 81 3.362 -5.387 -2.594 1.00 0.00 C ATOM 1098 CG1 ILE A 81 4.517 -4.958 -3.506 1.00 0.00 C ATOM 1099 CG2 ILE A 81 3.002 -4.135 -1.789 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.645 -5.753 -4.792 1.00 0.00 C ATOM 0 H ILE A 81 4.814 -7.885 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 81 3.792 -6.092 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 81 2.561 -5.775 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.390 -3.905 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.451 -5.042 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.787 -3.313 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.123 -4.337 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.839 -3.863 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.489 -5.377 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.808 -6.804 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.730 -5.650 -5.376 1.00 0.00 H new ATOM 1111 N THR A 82 1.605 -7.336 -0.656 1.00 0.00 N ATOM 1112 CA THR A 82 0.366 -8.066 -0.515 1.00 0.00 C ATOM 1113 C THR A 82 -0.761 -7.054 -0.678 1.00 0.00 C ATOM 1114 O THR A 82 -1.045 -6.314 0.263 1.00 0.00 O ATOM 1115 CB THR A 82 0.343 -8.781 0.849 1.00 0.00 C ATOM 1116 OG1 THR A 82 1.089 -8.083 1.828 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.954 -10.176 0.712 1.00 0.00 C ATOM 0 H THR A 82 1.724 -6.623 0.064 1.00 0.00 H new ATOM 0 HA THR A 82 0.252 -8.846 -1.268 1.00 0.00 H new ATOM 0 HB THR A 82 -0.700 -8.831 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.911 -7.122 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.936 -10.678 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.378 -10.756 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.985 -10.090 0.368 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.383 -6.979 -1.861 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.542 -6.110 -2.009 1.00 0.00 C ATOM 1127 C ASP A 83 -3.701 -6.648 -1.174 1.00 0.00 C ATOM 1128 O ASP A 83 -3.649 -7.807 -0.762 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.906 -5.804 -3.466 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.673 -4.485 -3.539 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -4.869 -4.504 -3.182 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -3.036 -3.460 -3.862 1.00 0.00 O ATOM 0 H ASP A 83 -1.111 -7.493 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.279 -5.129 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.002 -5.744 -4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.512 -6.611 -3.877 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.709 -5.819 -0.904 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.878 -6.147 -0.105 1.00 0.00 C ATOM 1138 C CYS A 84 -7.080 -5.440 -0.710 1.00 0.00 C ATOM 1139 O CYS A 84 -7.087 -4.209 -0.757 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.719 -5.665 1.338 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.006 -6.310 2.411 1.00 0.00 S ATOM 0 H CYS A 84 -4.729 -4.861 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.004 -7.230 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.744 -5.972 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.741 -4.575 1.360 1.00 0.00 H new ATOM 1145 N ARG A 85 -8.080 -6.190 -1.179 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.229 -5.612 -1.865 1.00 0.00 C ATOM 1147 C ARG A 85 -10.517 -6.212 -1.320 1.00 0.00 C ATOM 1148 O ARG A 85 -10.525 -7.392 -0.965 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.090 -5.878 -3.371 1.00 0.00 C ATOM 1150 CG ARG A 85 -10.121 -5.092 -4.193 1.00 0.00 C ATOM 1151 CD ARG A 85 -9.735 -5.003 -5.671 1.00 0.00 C ATOM 1152 NE ARG A 85 -9.763 -6.322 -6.321 1.00 0.00 N ATOM 1153 CZ ARG A 85 -9.504 -6.532 -7.622 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -9.153 -5.505 -8.404 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -9.602 -7.764 -8.136 1.00 0.00 N ATOM 0 H ARG A 85 -8.113 -7.206 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.265 -4.536 -1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.085 -5.607 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.210 -6.944 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.096 -5.570 -4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.219 -4.087 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.420 -4.329 -6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.737 -4.574 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.995 -7.131 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.083 -4.566 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.956 -5.661 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.874 -8.545 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.405 -7.921 -9.124 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.612 -5.444 -1.331 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.921 -5.999 -1.027 1.00 0.00 C ATOM 1168 C GLU A 86 -13.403 -6.728 -2.278 1.00 0.00 C ATOM 1169 O GLU A 86 -13.420 -6.175 -3.377 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.945 -4.919 -0.665 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.740 -4.310 0.727 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.821 -3.274 1.019 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.978 -3.547 0.619 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.480 -2.227 1.608 1.00 0.00 O ATOM 0 H GLU A 86 -11.612 -4.447 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.830 -6.661 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.898 -4.124 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.946 -5.348 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.767 -5.096 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.756 -3.845 0.786 1.00 0.00 H new ATOM 1179 N THR A 87 -13.753 -7.994 -2.098 1.00 0.00 N ATOM 1180 CA THR A 87 -14.238 -8.898 -3.120 1.00 0.00 C ATOM 1181 C THR A 87 -15.530 -9.513 -2.577 1.00 0.00 C ATOM 1182 O THR A 87 -16.235 -8.845 -1.824 1.00 0.00 O ATOM 1183 CB THR A 87 -13.126 -9.914 -3.426 1.00 0.00 C ATOM 1184 OG1 THR A 87 -12.839 -10.707 -2.288 1.00 0.00 O ATOM 1185 CG2 THR A 87 -11.851 -9.197 -3.885 1.00 0.00 C ATOM 0 H THR A 87 -13.701 -8.438 -1.181 1.00 0.00 H new ATOM 0 HA THR A 87 -14.474 -8.415 -4.068 1.00 0.00 H new ATOM 0 HB THR A 87 -13.480 -10.562 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.182 -10.263 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.076 -9.933 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.061 -8.622 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.508 -8.525 -3.098 1.00 0.00 H new ATOM 1193 N GLY A 88 -15.834 -10.762 -2.953 1.00 0.00 N ATOM 1194 CA GLY A 88 -16.887 -11.592 -2.379 1.00 0.00 C ATOM 1195 C GLY A 88 -18.174 -10.845 -2.033 1.00 0.00 C ATOM 1196 O GLY A 88 -18.767 -11.110 -0.991 1.00 0.00 O ATOM 0 H GLY A 88 -15.327 -11.237 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.125 -12.391 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -16.504 -12.066 -1.475 1.00 0.00 H new ATOM 1199 N SER A 89 -18.601 -9.932 -2.911 1.00 0.00 N ATOM 1200 CA SER A 89 -19.778 -9.097 -2.722 1.00 0.00 C ATOM 1201 C SER A 89 -19.813 -8.485 -1.316 1.00 0.00 C ATOM 1202 O SER A 89 -20.675 -8.847 -0.519 1.00 0.00 O ATOM 1203 CB SER A 89 -21.030 -9.934 -3.009 1.00 0.00 C ATOM 1204 OG SER A 89 -20.933 -10.503 -4.304 1.00 0.00 O ATOM 0 H SER A 89 -18.121 -9.753 -3.793 1.00 0.00 H new ATOM 0 HA SER A 89 -19.742 -8.260 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 89 -21.133 -10.721 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 89 -21.921 -9.310 -2.940 1.00 0.00 H new ATOM 0 HG SER A 89 -21.733 -11.039 -4.486 1.00 0.00 H new ATOM 1209 N SER A 90 -18.884 -7.574 -1.005 1.00 0.00 N ATOM 1210 CA SER A 90 -18.770 -6.980 0.319 1.00 0.00 C ATOM 1211 C SER A 90 -20.099 -6.403 0.831 1.00 0.00 C ATOM 1212 O SER A 90 -20.823 -5.719 0.109 1.00 0.00 O ATOM 1213 CB SER A 90 -17.638 -5.946 0.338 1.00 0.00 C ATOM 1214 OG SER A 90 -17.595 -5.110 -0.795 1.00 0.00 O ATOM 0 H SER A 90 -18.191 -7.231 -1.671 1.00 0.00 H new ATOM 0 HA SER A 90 -18.516 -7.776 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.743 -5.326 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.686 -6.469 0.425 1.00 0.00 H new ATOM 0 HG SER A 90 -16.972 -4.371 -0.633 1.00 0.00 H new ATOM 1219 N LYS A 91 -20.425 -6.702 2.093 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.664 -6.333 2.763 1.00 0.00 C ATOM 1221 C LYS A 91 -21.318 -5.742 4.132 1.00 0.00 C ATOM 1222 O LYS A 91 -21.672 -6.324 5.155 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.541 -7.594 2.894 1.00 0.00 C ATOM 1224 CG LYS A 91 -23.217 -7.999 1.575 1.00 0.00 C ATOM 1225 CD LYS A 91 -24.331 -7.055 1.093 1.00 0.00 C ATOM 1226 CE LYS A 91 -25.458 -6.831 2.113 1.00 0.00 C ATOM 1227 NZ LYS A 91 -26.030 -8.100 2.608 1.00 0.00 N ATOM 0 H LYS A 91 -19.799 -7.233 2.698 1.00 0.00 H new ATOM 0 HA LYS A 91 -22.219 -5.585 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.926 -8.421 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.307 -7.419 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.454 -8.061 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.635 -8.999 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.890 -6.091 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.762 -7.459 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.073 -6.256 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.247 -6.235 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.851 -7.898 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.330 -8.684 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.312 -8.613 3.158 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.639 -4.587 4.152 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.191 -3.928 5.380 1.00 0.00 C ATOM 1239 C TYR A 92 -21.314 -3.937 6.430 1.00 0.00 C ATOM 1240 O TYR A 92 -22.433 -3.540 6.109 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.767 -2.484 5.065 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.521 -1.634 6.299 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -18.297 -1.730 6.984 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -20.585 -0.916 6.878 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -18.150 -1.153 8.258 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -20.447 -0.364 8.162 1.00 0.00 C ATOM 1247 CZ TYR A 92 -19.235 -0.494 8.858 1.00 0.00 C ATOM 1248 OH TYR A 92 -19.105 0.020 10.114 1.00 0.00 O ATOM 0 H TYR A 92 -20.384 -4.080 3.304 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.337 -4.470 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.859 -2.505 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.540 -2.012 4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -17.466 -2.249 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -21.509 -0.790 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -17.204 -1.217 8.774 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -21.275 0.161 8.615 1.00 0.00 H new ATOM 0 HH TYR A 92 -19.946 0.445 10.382 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.057 -4.400 7.667 1.00 0.00 N ATOM 1258 CA PRO A 93 -19.756 -4.739 8.238 1.00 0.00 C ATOM 1259 C PRO A 93 -19.136 -6.037 7.708 1.00 0.00 C ATOM 1260 O PRO A 93 -17.926 -6.219 7.822 1.00 0.00 O ATOM 1261 CB PRO A 93 -19.991 -4.832 9.744 1.00 0.00 C ATOM 1262 CG PRO A 93 -21.458 -5.226 9.858 1.00 0.00 C ATOM 1263 CD PRO A 93 -22.089 -4.480 8.684 1.00 0.00 C ATOM 0 HA PRO A 93 -19.032 -3.975 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.340 -5.575 10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.792 -3.882 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -21.597 -6.304 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -21.888 -4.921 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -22.966 -5.009 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -22.420 -3.486 8.985 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.922 -6.916 7.085 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.424 -8.137 6.462 1.00 0.00 C ATOM 1270 C ASN A 94 -18.764 -7.796 5.124 1.00 0.00 C ATOM 1271 O ASN A 94 -19.194 -8.264 4.069 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.571 -9.148 6.291 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.986 -9.766 7.621 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -20.465 -10.801 8.022 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -21.934 -9.147 8.320 1.00 0.00 N ATOM 0 H ASN A 94 -20.931 -6.797 6.999 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.672 -8.599 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.429 -8.651 5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.261 -9.936 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.244 -9.532 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.351 -8.287 7.964 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.719 -6.964 5.145 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.882 -6.772 3.968 1.00 0.00 C ATOM 1283 C CYS A 95 -15.969 -7.988 3.817 1.00 0.00 C ATOM 1284 O CYS A 95 -15.621 -8.641 4.800 1.00 0.00 O ATOM 1285 CB CYS A 95 -16.110 -5.456 3.996 1.00 0.00 C ATOM 1286 SG CYS A 95 -14.734 -5.370 5.154 1.00 0.00 S ATOM 0 H CYS A 95 -17.438 -6.419 5.960 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.521 -6.693 3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.728 -5.261 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -16.808 -4.653 4.233 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.641 -8.324 2.570 1.00 0.00 N ATOM 1291 CA ALA A 96 -15.077 -9.609 2.191 1.00 0.00 C ATOM 1292 C ALA A 96 -13.711 -9.435 1.525 1.00 0.00 C ATOM 1293 O ALA A 96 -13.599 -9.419 0.297 1.00 0.00 O ATOM 1294 CB ALA A 96 -16.102 -10.263 1.265 1.00 0.00 C ATOM 0 H ALA A 96 -15.765 -7.691 1.780 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.893 -10.242 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.733 -11.237 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.045 -10.389 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.260 -9.630 0.392 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.656 -9.319 2.336 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.347 -8.955 1.822 1.00 0.00 C ATOM 1302 C TYR A 97 -10.609 -10.163 1.240 1.00 0.00 C ATOM 1303 O TYR A 97 -10.611 -11.243 1.834 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.477 -8.383 2.942 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.763 -6.961 3.366 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.311 -5.913 2.546 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.172 -6.686 4.684 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.229 -4.609 3.053 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.129 -5.369 5.176 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.692 -4.323 4.346 1.00 0.00 C ATOM 1311 OH TYR A 97 -10.678 -3.039 4.809 1.00 0.00 O ATOM 0 H TYR A 97 -12.689 -9.472 3.344 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.513 -8.216 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.582 -9.026 3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.435 -8.441 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.026 -6.113 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.520 -7.488 5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.808 -3.821 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.432 -5.162 6.192 1.00 0.00 H new ATOM 0 HH TYR A 97 -9.921 -2.920 5.420 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.927 -9.948 0.111 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.979 -10.873 -0.495 1.00 0.00 C ATOM 1322 C LYS A 98 -7.608 -10.204 -0.544 1.00 0.00 C ATOM 1323 O LYS A 98 -7.525 -9.016 -0.858 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.430 -11.239 -1.918 1.00 0.00 C ATOM 1325 CG LYS A 98 -9.895 -12.692 -2.066 1.00 0.00 C ATOM 1326 CD LYS A 98 -8.709 -13.668 -1.954 1.00 0.00 C ATOM 1327 CE LYS A 98 -9.071 -15.096 -2.390 1.00 0.00 C ATOM 1328 NZ LYS A 98 -9.266 -15.213 -3.851 1.00 0.00 N ATOM 0 H LYS A 98 -10.029 -9.086 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.929 -11.786 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.243 -10.576 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.605 -11.059 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.632 -12.921 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.388 -12.823 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.885 -13.303 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.355 -13.686 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.281 -15.779 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.982 -15.408 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.408 -16.212 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.101 -14.662 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.426 -14.847 -4.344 1.00 0.00 H new ATOM 1338 N THR A 99 -6.559 -10.986 -0.267 1.00 0.00 N ATOM 1339 CA THR A 99 -5.166 -10.562 -0.316 1.00 0.00 C ATOM 1340 C THR A 99 -4.525 -11.043 -1.623 1.00 0.00 C ATOM 1341 O THR A 99 -4.895 -12.115 -2.105 1.00 0.00 O ATOM 1342 CB THR A 99 -4.419 -11.141 0.895 1.00 0.00 C ATOM 1343 OG1 THR A 99 -5.230 -11.031 2.046 1.00 0.00 O ATOM 1344 CG2 THR A 99 -3.100 -10.418 1.171 1.00 0.00 C ATOM 0 H THR A 99 -6.666 -11.963 0.006 1.00 0.00 H new ATOM 0 HA THR A 99 -5.109 -9.474 -0.282 1.00 0.00 H new ATOM 0 HB THR A 99 -4.197 -12.182 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.458 -10.090 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.613 -10.867 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.448 -10.506 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.297 -9.365 1.371 1.00 0.00 H new ATOM 1352 N THR A 100 -3.557 -10.293 -2.166 1.00 0.00 N ATOM 1353 CA THR A 100 -2.867 -10.636 -3.411 1.00 0.00 C ATOM 1354 C THR A 100 -1.354 -10.401 -3.280 1.00 0.00 C ATOM 1355 O THR A 100 -0.897 -9.267 -3.410 1.00 0.00 O ATOM 1356 CB THR A 100 -3.465 -9.806 -4.561 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.875 -9.903 -4.548 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.957 -10.281 -5.926 1.00 0.00 C ATOM 0 H THR A 100 -3.229 -9.423 -1.747 1.00 0.00 H new ATOM 0 HA THR A 100 -3.010 -11.695 -3.626 1.00 0.00 H new ATOM 0 HB THR A 100 -3.153 -8.773 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.246 -9.371 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.402 -9.671 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.872 -10.187 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.236 -11.324 -6.075 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.575 -11.462 -3.032 1.00 0.00 N ATOM 1367 CA GLN A 101 0.883 -11.405 -2.929 1.00 0.00 C ATOM 1368 C GLN A 101 1.529 -11.295 -4.312 1.00 0.00 C ATOM 1369 O GLN A 101 1.226 -12.109 -5.181 1.00 0.00 O ATOM 1370 CB GLN A 101 1.378 -12.654 -2.182 1.00 0.00 C ATOM 1371 CG GLN A 101 2.876 -12.644 -1.826 1.00 0.00 C ATOM 1372 CD GLN A 101 3.808 -12.926 -3.003 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.726 -12.161 -3.272 1.00 0.00 O ATOM 1374 NE2 GLN A 101 3.591 -14.027 -3.715 1.00 0.00 N ATOM 0 H GLN A 101 -0.951 -12.400 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 101 1.172 -10.514 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.802 -12.762 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.171 -13.532 -2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.130 -11.672 -1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.057 -13.387 -1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.820 -14.648 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.196 -14.251 -4.505 1.00 0.00 H new ATOM 1381 N VAL A 102 2.443 -10.337 -4.502 1.00 0.00 N ATOM 1382 CA VAL A 102 3.317 -10.233 -5.662 1.00 0.00 C ATOM 1383 C VAL A 102 4.642 -9.629 -5.175 1.00 0.00 C ATOM 1384 O VAL A 102 4.708 -9.161 -4.037 1.00 0.00 O ATOM 1385 CB VAL A 102 2.660 -9.340 -6.738 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.621 -10.093 -7.576 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.995 -8.094 -6.135 1.00 0.00 C ATOM 0 H VAL A 102 2.595 -9.589 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 102 3.493 -11.209 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 102 3.480 -9.032 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.192 -9.418 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.100 -10.930 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.831 -10.468 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.548 -7.499 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.221 -8.399 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.744 -7.498 -5.614 1.00 0.00 H new ATOM 1397 N GLU A 103 5.681 -9.602 -6.022 1.00 0.00 N ATOM 1398 CA GLU A 103 6.874 -8.803 -5.774 1.00 0.00 C ATOM 1399 C GLU A 103 7.150 -7.921 -6.988 1.00 0.00 C ATOM 1400 O GLU A 103 7.279 -8.421 -8.102 1.00 0.00 O ATOM 1401 CB GLU A 103 8.070 -9.631 -5.313 1.00 0.00 C ATOM 1402 CG GLU A 103 8.606 -10.694 -6.274 1.00 0.00 C ATOM 1403 CD GLU A 103 9.848 -11.374 -5.701 1.00 0.00 C ATOM 1404 OE1 GLU A 103 10.441 -10.807 -4.750 1.00 0.00 O ATOM 1405 OE2 GLU A 103 10.183 -12.459 -6.216 1.00 0.00 O ATOM 0 H GLU A 103 5.711 -10.133 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 103 6.687 -8.146 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.885 -8.945 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.797 -10.127 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.834 -11.440 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.848 -10.234 -7.232 1.00 0.00 H new ATOM 1410 N LYS A 104 7.160 -6.605 -6.780 1.00 0.00 N ATOM 1411 CA LYS A 104 7.157 -5.565 -7.806 1.00 0.00 C ATOM 1412 C LYS A 104 7.772 -4.326 -7.151 1.00 0.00 C ATOM 1413 O LYS A 104 7.896 -4.282 -5.928 1.00 0.00 O ATOM 1414 CB LYS A 104 5.719 -5.272 -8.266 1.00 0.00 C ATOM 1415 CG LYS A 104 5.331 -5.829 -9.638 1.00 0.00 C ATOM 1416 CD LYS A 104 5.114 -7.341 -9.643 1.00 0.00 C ATOM 1417 CE LYS A 104 3.885 -7.723 -10.467 1.00 0.00 C ATOM 1418 NZ LYS A 104 4.031 -7.343 -11.888 1.00 0.00 N ATOM 0 H LYS A 104 7.171 -6.215 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 104 7.720 -5.871 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.031 -5.676 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.575 -4.192 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.418 -5.338 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.112 -5.580 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.996 -7.836 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.993 -7.697 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.720 -8.798 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.003 -7.236 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.231 -7.724 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.044 -6.306 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.921 -7.731 -12.262 1.00 0.00 H new ATOM 1428 N HIS A 105 8.167 -3.315 -7.923 1.00 0.00 N ATOM 1429 CA HIS A 105 8.683 -2.087 -7.324 1.00 0.00 C ATOM 1430 C HIS A 105 7.519 -1.355 -6.682 1.00 0.00 C ATOM 1431 O HIS A 105 6.664 -0.863 -7.412 1.00 0.00 O ATOM 1432 CB HIS A 105 9.334 -1.137 -8.337 1.00 0.00 C ATOM 1433 CG HIS A 105 10.300 -1.759 -9.304 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.936 -2.348 -10.496 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.660 -1.630 -9.284 1.00 0.00 C ATOM 1436 CE1 HIS A 105 11.059 -2.599 -11.188 1.00 0.00 C ATOM 1437 NE2 HIS A 105 12.120 -2.172 -10.468 1.00 0.00 N ATOM 0 H HIS A 105 8.141 -3.320 -8.943 1.00 0.00 H new ATOM 0 HA HIS A 105 9.453 -2.376 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.543 -0.651 -8.908 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.856 -0.355 -7.786 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.257 -1.191 -8.498 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.107 -3.066 -12.161 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.097 -2.239 -10.752 1.00 0.00 H new ATOM 1445 N ILE A 106 7.471 -1.245 -5.353 1.00 0.00 N ATOM 1446 CA ILE A 106 6.494 -0.354 -4.745 1.00 0.00 C ATOM 1447 C ILE A 106 6.774 1.070 -5.227 1.00 0.00 C ATOM 1448 O ILE A 106 7.935 1.457 -5.395 1.00 0.00 O ATOM 1449 CB ILE A 106 6.485 -0.438 -3.211 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.850 -0.099 -2.590 1.00 0.00 C ATOM 1451 CG2 ILE A 106 5.992 -1.821 -2.780 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.779 0.016 -1.068 1.00 0.00 C ATOM 0 H ILE A 106 8.076 -1.744 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 106 5.497 -0.665 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 106 5.797 0.319 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.572 -0.869 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.214 0.840 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.985 -1.882 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.983 -1.982 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.657 -2.586 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.767 0.256 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.078 0.805 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.442 -0.931 -0.647 1.00 0.00 H new ATOM 1463 N ILE A 107 5.702 1.822 -5.462 1.00 0.00 N ATOM 1464 CA ILE A 107 5.729 3.201 -5.891 1.00 0.00 C ATOM 1465 C ILE A 107 5.029 3.987 -4.781 1.00 0.00 C ATOM 1466 O ILE A 107 3.798 3.985 -4.702 1.00 0.00 O ATOM 1467 CB ILE A 107 5.024 3.343 -7.256 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.385 2.253 -8.284 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.266 4.747 -7.814 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.821 2.278 -8.792 1.00 0.00 C ATOM 0 H ILE A 107 4.754 1.463 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 107 6.740 3.579 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 107 3.960 3.195 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.194 1.278 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.715 2.348 -9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.768 4.846 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.867 5.488 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.336 4.909 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.967 1.470 -9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.019 3.234 -9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.506 2.148 -7.954 1.00 0.00 H new ATOM 1481 N VAL A 108 5.799 4.612 -3.884 1.00 0.00 N ATOM 1482 CA VAL A 108 5.225 5.366 -2.776 1.00 0.00 C ATOM 1483 C VAL A 108 5.097 6.838 -3.158 1.00 0.00 C ATOM 1484 O VAL A 108 5.603 7.269 -4.195 1.00 0.00 O ATOM 1485 CB VAL A 108 5.959 5.138 -1.440 1.00 0.00 C ATOM 1486 CG1 VAL A 108 6.081 3.641 -1.132 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.322 5.829 -1.376 1.00 0.00 C ATOM 0 H VAL A 108 6.819 4.608 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 108 4.221 4.983 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 108 5.347 5.604 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.602 3.506 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.086 3.201 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.641 3.150 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.786 5.629 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.961 5.447 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.191 6.904 -1.500 1.00 0.00 H new ATOM 1497 N ALA A 109 4.398 7.601 -2.320 1.00 0.00 N ATOM 1498 CA ALA A 109 4.139 9.018 -2.492 1.00 0.00 C ATOM 1499 C ALA A 109 4.722 9.721 -1.269 1.00 0.00 C ATOM 1500 O ALA A 109 4.292 9.436 -0.155 1.00 0.00 O ATOM 1501 CB ALA A 109 2.629 9.208 -2.551 1.00 0.00 C ATOM 0 H ALA A 109 3.981 7.227 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 109 4.584 9.422 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.400 10.266 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.224 8.644 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.181 8.850 -1.624 1.00 0.00 H new ATOM 1507 N CYS A 110 5.715 10.586 -1.469 1.00 0.00 N ATOM 1508 CA CYS A 110 6.557 11.184 -0.438 1.00 0.00 C ATOM 1509 C CYS A 110 6.577 12.708 -0.477 1.00 0.00 C ATOM 1510 O CYS A 110 6.565 13.316 -1.553 1.00 0.00 O ATOM 1511 CB CYS A 110 7.988 10.695 -0.632 1.00 0.00 C ATOM 1512 SG CYS A 110 9.173 11.401 0.519 1.00 0.00 S ATOM 0 H CYS A 110 5.966 10.904 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 110 6.138 10.883 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.005 9.610 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.304 10.927 -1.649 1.00 0.00 H new ATOM 1516 N GLY A 111 6.652 13.299 0.719 1.00 0.00 N ATOM 1517 CA GLY A 111 6.718 14.729 0.960 1.00 0.00 C ATOM 1518 C GLY A 111 6.822 14.944 2.469 1.00 0.00 C ATOM 1519 O GLY A 111 7.211 14.024 3.184 1.00 0.00 O ATOM 0 H GLY A 111 6.669 12.759 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.579 15.163 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.832 15.224 0.564 1.00 0.00 H new ATOM 1522 N GLY A 112 6.437 16.128 2.957 1.00 0.00 N ATOM 1523 CA GLY A 112 6.330 16.393 4.388 1.00 0.00 C ATOM 1524 C GLY A 112 7.682 16.296 5.097 1.00 0.00 C ATOM 1525 O GLY A 112 7.850 15.447 5.968 1.00 0.00 O ATOM 0 H GLY A 112 6.192 16.925 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.912 17.388 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.635 15.683 4.836 1.00 0.00 H new ATOM 1528 N LYS A 113 8.608 17.193 4.723 1.00 0.00 N ATOM 1529 CA LYS A 113 9.999 17.254 5.176 1.00 0.00 C ATOM 1530 C LYS A 113 10.201 16.712 6.606 1.00 0.00 C ATOM 1531 O LYS A 113 9.551 17.213 7.527 1.00 0.00 O ATOM 1532 CB LYS A 113 10.538 18.687 5.011 1.00 0.00 C ATOM 1533 CG LYS A 113 9.851 19.738 5.900 1.00 0.00 C ATOM 1534 CD LYS A 113 10.723 20.111 7.110 1.00 0.00 C ATOM 1535 CE LYS A 113 9.943 21.017 8.074 1.00 0.00 C ATOM 1536 NZ LYS A 113 10.737 21.373 9.268 1.00 0.00 N ATOM 0 H LYS A 113 8.390 17.935 4.059 1.00 0.00 H new ATOM 0 HA LYS A 113 10.582 16.586 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.606 18.687 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.427 18.985 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.641 20.632 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.892 19.352 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.042 19.207 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.626 20.620 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.644 21.927 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.028 20.512 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.172 21.985 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.001 20.507 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.598 21.878 8.975 1.00 0.00 H new ATOM 1546 N PRO A 114 11.104 15.743 6.844 1.00 0.00 N ATOM 1547 CA PRO A 114 12.093 15.198 5.917 1.00 0.00 C ATOM 1548 C PRO A 114 11.471 14.299 4.838 1.00 0.00 C ATOM 1549 O PRO A 114 10.255 14.208 4.703 1.00 0.00 O ATOM 1550 CB PRO A 114 13.097 14.447 6.805 1.00 0.00 C ATOM 1551 CG PRO A 114 12.268 14.028 8.019 1.00 0.00 C ATOM 1552 CD PRO A 114 11.289 15.189 8.176 1.00 0.00 C ATOM 0 HA PRO A 114 12.576 15.988 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.518 13.583 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.933 15.085 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.751 13.083 7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.887 13.898 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.341 14.846 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.683 15.941 8.860 1.00 0.00 H new ATOM 1557 N SER A 115 12.310 13.669 4.017 1.00 0.00 N ATOM 1558 CA SER A 115 11.892 12.880 2.871 1.00 0.00 C ATOM 1559 C SER A 115 11.234 11.577 3.337 1.00 0.00 C ATOM 1560 O SER A 115 11.907 10.548 3.384 1.00 0.00 O ATOM 1561 CB SER A 115 13.154 12.618 2.041 1.00 0.00 C ATOM 1562 OG SER A 115 14.163 12.107 2.891 1.00 0.00 O ATOM 0 H SER A 115 13.322 13.697 4.138 1.00 0.00 H new ATOM 0 HA SER A 115 11.148 13.402 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.939 11.908 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.491 13.540 1.567 1.00 0.00 H new ATOM 0 HG SER A 115 13.813 11.340 3.390 1.00 0.00 H new ATOM 1567 N VAL A 116 9.946 11.625 3.700 1.00 0.00 N ATOM 1568 CA VAL A 116 9.200 10.479 4.217 1.00 0.00 C ATOM 1569 C VAL A 116 7.998 10.139 3.326 1.00 0.00 C ATOM 1570 O VAL A 116 7.306 11.043 2.851 1.00 0.00 O ATOM 1571 CB VAL A 116 8.767 10.744 5.668 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.007 11.012 6.527 1.00 0.00 C ATOM 1573 CG2 VAL A 116 7.786 11.916 5.806 1.00 0.00 C ATOM 0 H VAL A 116 9.387 12.476 3.640 1.00 0.00 H new ATOM 0 HA VAL A 116 9.857 9.609 4.206 1.00 0.00 H new ATOM 0 HB VAL A 116 8.241 9.852 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.703 11.200 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.665 10.144 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.536 11.883 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.522 12.048 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.253 12.827 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.885 11.707 5.229 1.00 0.00 H new ATOM 1583 N PRO A 117 7.723 8.847 3.083 1.00 0.00 N ATOM 1584 CA PRO A 117 6.559 8.447 2.325 1.00 0.00 C ATOM 1585 C PRO A 117 5.300 8.686 3.168 1.00 0.00 C ATOM 1586 O PRO A 117 5.273 8.342 4.347 1.00 0.00 O ATOM 1587 CB PRO A 117 6.804 6.990 1.950 1.00 0.00 C ATOM 1588 CG PRO A 117 7.650 6.459 3.101 1.00 0.00 C ATOM 1589 CD PRO A 117 8.465 7.680 3.535 1.00 0.00 C ATOM 0 HA PRO A 117 6.399 9.023 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.869 6.439 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.325 6.904 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.030 6.080 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.293 5.639 2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.594 7.697 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.462 7.659 3.095 1.00 0.00 H new ATOM 1594 N VAL A 118 4.283 9.314 2.571 1.00 0.00 N ATOM 1595 CA VAL A 118 3.023 9.705 3.197 1.00 0.00 C ATOM 1596 C VAL A 118 1.807 9.058 2.526 1.00 0.00 C ATOM 1597 O VAL A 118 0.734 9.017 3.126 1.00 0.00 O ATOM 1598 CB VAL A 118 2.884 11.240 3.208 1.00 0.00 C ATOM 1599 CG1 VAL A 118 3.915 11.884 4.139 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.011 11.862 1.809 1.00 0.00 C ATOM 0 H VAL A 118 4.322 9.576 1.586 1.00 0.00 H new ATOM 0 HA VAL A 118 3.048 9.340 4.224 1.00 0.00 H new ATOM 0 HB VAL A 118 1.878 11.443 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 118 3.792 12.967 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.769 11.515 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.920 11.629 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.905 12.944 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.988 11.620 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.230 11.463 1.161 1.00 0.00 H new ATOM 1610 N HIS A 119 1.938 8.589 1.283 1.00 0.00 N ATOM 1611 CA HIS A 119 0.879 7.906 0.549 1.00 0.00 C ATOM 1612 C HIS A 119 1.530 6.824 -0.313 1.00 0.00 C ATOM 1613 O HIS A 119 2.743 6.617 -0.256 1.00 0.00 O ATOM 1614 CB HIS A 119 0.077 8.916 -0.303 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.399 9.020 -0.006 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -2.401 9.080 -0.960 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.968 9.246 1.220 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.559 9.331 -0.322 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.319 9.432 1.001 1.00 0.00 N ATOM 0 H HIS A 119 2.803 8.677 0.750 1.00 0.00 H new ATOM 0 HA HIS A 119 0.170 7.442 1.234 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.522 9.902 -0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.196 8.648 -1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.459 9.273 2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.525 9.435 -0.794 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.019 9.615 1.720 1.00 0.00 H new ATOM 1627 N PHE A 120 0.725 6.160 -1.144 1.00 0.00 N ATOM 1628 CA PHE A 120 1.179 5.150 -2.078 1.00 0.00 C ATOM 1629 C PHE A 120 0.462 5.341 -3.410 1.00 0.00 C ATOM 1630 O PHE A 120 -0.705 5.736 -3.397 1.00 0.00 O ATOM 1631 CB PHE A 120 0.908 3.784 -1.455 1.00 0.00 C ATOM 1632 CG PHE A 120 0.969 2.614 -2.408 1.00 0.00 C ATOM 1633 CD1 PHE A 120 -0.209 2.190 -3.048 1.00 0.00 C ATOM 1634 CD2 PHE A 120 2.151 1.862 -2.538 1.00 0.00 C ATOM 1635 CE1 PHE A 120 -0.228 0.975 -3.747 1.00 0.00 C ATOM 1636 CE2 PHE A 120 2.127 0.640 -3.230 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.933 0.192 -3.820 1.00 0.00 C ATOM 0 H PHE A 120 -0.282 6.319 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 120 2.248 5.231 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.631 3.618 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.079 3.804 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.099 2.800 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 120 3.073 2.223 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.136 0.642 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 120 3.025 0.045 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.909 -0.759 -4.332 1.00 0.00 H new ATOM 1646 N ASP A 121 1.161 5.077 -4.520 1.00 0.00 N ATOM 1647 CA ASP A 121 0.607 5.109 -5.865 1.00 0.00 C ATOM 1648 C ASP A 121 0.194 3.699 -6.294 1.00 0.00 C ATOM 1649 O ASP A 121 -0.992 3.432 -6.490 1.00 0.00 O ATOM 1650 CB ASP A 121 1.653 5.704 -6.812 1.00 0.00 C ATOM 1651 CG ASP A 121 1.203 5.636 -8.265 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.439 6.538 -8.666 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.650 4.694 -8.952 1.00 0.00 O ATOM 0 H ASP A 121 2.150 4.830 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.286 5.733 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.843 6.742 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.595 5.167 -6.697 1.00 0.00 H new ATOM 1657 N ALA A 122 1.165 2.791 -6.430 1.00 0.00 N ATOM 1658 CA ALA A 122 0.975 1.478 -7.033 1.00 0.00 C ATOM 1659 C ALA A 122 2.229 0.642 -6.784 1.00 0.00 C ATOM 1660 O ALA A 122 3.118 1.077 -6.053 1.00 0.00 O ATOM 1661 CB ALA A 122 0.716 1.635 -8.538 1.00 0.00 C ATOM 0 H ALA A 122 2.122 2.956 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 122 0.115 0.977 -6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.574 0.652 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.179 2.237 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.569 2.127 -9.005 1.00 0.00 H new ATOM 1667 N SER A 123 2.324 -0.536 -7.410 1.00 0.00 N ATOM 1668 CA SER A 123 3.530 -1.349 -7.394 1.00 0.00 C ATOM 1669 C SER A 123 3.770 -1.940 -8.782 1.00 0.00 C ATOM 1670 O SER A 123 2.913 -2.676 -9.267 1.00 0.00 O ATOM 1671 CB SER A 123 3.413 -2.472 -6.357 1.00 0.00 C ATOM 1672 OG SER A 123 3.017 -1.965 -5.098 1.00 0.00 O ATOM 0 H SER A 123 1.558 -0.948 -7.943 1.00 0.00 H new ATOM 0 HA SER A 123 4.374 -0.717 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.689 -3.212 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.371 -2.984 -6.261 1.00 0.00 H new ATOM 0 HG SER A 123 2.644 -2.691 -4.556 1.00 0.00 H new ATOM 1677 N VAL A 124 4.920 -1.665 -9.409 1.00 0.00 N ATOM 1678 CA VAL A 124 5.326 -2.356 -10.625 1.00 0.00 C ATOM 1679 C VAL A 124 6.850 -2.353 -10.768 1.00 0.00 C ATOM 1680 CB VAL A 124 4.503 -1.910 -11.856 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.262 -1.049 -12.873 1.00 0.00 C ATOM 1682 CG2 VAL A 124 3.929 -3.159 -12.546 1.00 0.00 C ATOM 0 H VAL A 124 5.586 -0.963 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 124 5.071 -3.413 -10.550 1.00 0.00 H new ATOM 0 HB VAL A 124 3.715 -1.260 -11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.598 -0.789 -13.697 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.613 -0.138 -12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.116 -1.607 -13.257 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.346 -2.858 -13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.746 -3.807 -12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.288 -3.698 -11.848 1.00 0.00 H new