USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 77 GLN : amide:sc= 0.0915 K(o=-0.31,f=0.96) USER MOD Set 1.2: A 88 ASN : amide:sc= -0.398 K(o=-0.31,f=0.96) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 140:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 15:sc= 1.11 USER MOD Single : A 30 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.26) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.91 K(o=-0.91,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.159 K(o=0.16,f=-3.8!) USER MOD Single : A 36 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.8!) USER MOD Single : A 39 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.035) USER MOD Single : A 46 MET CE :methyl -133:sc= -0.89 (180deg=-7.33!) USER MOD Single : A 49 TYR OH : rot 150:sc= -0.0319 USER MOD Single : A 50 THR OG1 : rot -150:sc= -1.33 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 1.29 (180deg=1.29) USER MOD Single : A 59 SER OG : rot -44:sc= 1.06 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -46:sc= 0.427 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.2 USER MOD Single : A 86 HIS : no HE2:sc= 0.706 K(o=0.71,f=-2.7!) USER MOD Single : A 91 MET CE :methyl -145:sc= 0 (180deg=-0.644) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 108 SER OG : rot -40:sc= 0.87 USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 1.25 (180deg=0.95) USER MOD Single : A 120 MET CE :methyl -141:sc= -0.218 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.983 9.873 0.880 1.00 0.00 N ATOM 42 CA GLN A 30 7.035 8.939 1.275 1.00 0.00 C ATOM 43 C GLN A 30 7.525 8.117 0.083 1.00 0.00 C ATOM 44 O GLN A 30 6.731 7.539 -0.662 1.00 0.00 O ATOM 45 CB GLN A 30 6.536 8.006 2.383 1.00 0.00 C ATOM 46 CG GLN A 30 6.521 8.648 3.764 1.00 0.00 C ATOM 47 CD GLN A 30 7.910 9.002 4.268 1.00 0.00 C ATOM 48 OE1 GLN A 30 8.558 8.209 4.943 1.00 0.00 O ATOM 49 NE2 GLN A 30 8.375 10.197 3.940 1.00 0.00 N ATOM 0 HA GLN A 30 7.873 9.525 1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.528 7.671 2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.169 7.119 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.911 9.551 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.047 7.967 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.806 10.829 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.303 10.486 4.250 1.00 0.00 H new ATOM 58 N LYS A 31 8.840 8.071 -0.089 1.00 0.00 N ATOM 59 CA LYS A 31 9.446 7.321 -1.183 1.00 0.00 C ATOM 60 C LYS A 31 9.738 5.884 -0.756 1.00 0.00 C ATOM 61 O LYS A 31 10.404 5.651 0.253 1.00 0.00 O ATOM 62 CB LYS A 31 10.738 8.003 -1.640 1.00 0.00 C ATOM 63 CG LYS A 31 10.577 8.834 -2.904 1.00 0.00 C ATOM 64 CD LYS A 31 11.173 10.225 -2.743 1.00 0.00 C ATOM 65 CE LYS A 31 10.091 11.271 -2.526 1.00 0.00 C ATOM 66 NZ LYS A 31 10.659 12.641 -2.390 1.00 0.00 N ATOM 0 H LYS A 31 9.509 8.546 0.517 1.00 0.00 H new ATOM 0 HA LYS A 31 8.741 7.299 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.103 8.645 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.499 7.242 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.060 8.325 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.519 8.918 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.862 10.232 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.754 10.479 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.393 11.249 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.522 11.024 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.888 13.323 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.306 12.669 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.180 12.888 -3.255 1.00 0.00 H new ATOM 80 N ALA A 32 9.229 4.925 -1.523 1.00 0.00 N ATOM 81 CA ALA A 32 9.443 3.511 -1.222 1.00 0.00 C ATOM 82 C ALA A 32 10.891 3.102 -1.486 1.00 0.00 C ATOM 83 O ALA A 32 11.565 3.680 -2.340 1.00 0.00 O ATOM 84 CB ALA A 32 8.490 2.652 -2.037 1.00 0.00 C ATOM 0 H ALA A 32 8.667 5.099 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 32 9.241 3.355 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.659 1.601 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.461 2.917 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.666 2.821 -3.099 1.00 0.00 H new ATOM 90 N GLN A 33 11.363 2.094 -0.761 1.00 0.00 N ATOM 91 CA GLN A 33 12.736 1.626 -0.916 1.00 0.00 C ATOM 92 C GLN A 33 12.875 0.688 -2.116 1.00 0.00 C ATOM 93 O GLN A 33 12.022 -0.168 -2.360 1.00 0.00 O ATOM 94 CB GLN A 33 13.217 0.937 0.368 1.00 0.00 C ATOM 95 CG GLN A 33 12.532 -0.389 0.662 1.00 0.00 C ATOM 96 CD GLN A 33 12.748 -0.855 2.089 1.00 0.00 C ATOM 97 OE1 GLN A 33 12.031 -0.456 3.001 1.00 0.00 O ATOM 98 NE2 GLN A 33 13.743 -1.703 2.292 1.00 0.00 N ATOM 0 H GLN A 33 10.818 1.587 -0.063 1.00 0.00 H new ATOM 0 HA GLN A 33 13.366 2.496 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.292 0.769 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.056 1.610 1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.463 -0.291 0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.908 -1.148 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.318 -2.012 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.935 -2.048 3.233 1.00 0.00 H new ATOM 107 N GLN A 34 13.954 0.866 -2.870 1.00 0.00 N ATOM 108 CA GLN A 34 14.217 0.039 -4.043 1.00 0.00 C ATOM 109 C GLN A 34 15.130 -1.135 -3.688 1.00 0.00 C ATOM 110 O GLN A 34 16.299 -0.947 -3.344 1.00 0.00 O ATOM 111 CB GLN A 34 14.855 0.878 -5.156 1.00 0.00 C ATOM 112 CG GLN A 34 14.153 2.205 -5.404 1.00 0.00 C ATOM 113 CD GLN A 34 14.929 3.387 -4.852 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.326 3.397 -3.690 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.147 4.394 -5.681 1.00 0.00 N ATOM 0 H GLN A 34 14.663 1.577 -2.690 1.00 0.00 H new ATOM 0 HA GLN A 34 13.265 -0.357 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.897 1.071 -4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.855 0.299 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.006 2.340 -6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.163 2.179 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.801 4.349 -6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.661 5.215 -5.362 1.00 0.00 H new ATOM 124 N LYS A 35 14.586 -2.341 -3.763 1.00 0.00 N ATOM 125 CA LYS A 35 15.344 -3.552 -3.456 1.00 0.00 C ATOM 126 C LYS A 35 15.980 -4.144 -4.721 1.00 0.00 C ATOM 127 O LYS A 35 16.281 -3.426 -5.674 1.00 0.00 O ATOM 128 CB LYS A 35 14.434 -4.588 -2.787 1.00 0.00 C ATOM 129 CG LYS A 35 13.576 -4.019 -1.667 1.00 0.00 C ATOM 130 CD LYS A 35 14.206 -4.259 -0.302 1.00 0.00 C ATOM 131 CE LYS A 35 13.418 -5.279 0.507 1.00 0.00 C ATOM 132 NZ LYS A 35 14.023 -6.637 0.433 1.00 0.00 N ATOM 0 H LYS A 35 13.618 -2.510 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 35 16.146 -3.284 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.783 -5.028 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.049 -5.394 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.438 -2.949 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.587 -4.476 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.231 -4.608 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.256 -3.319 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.372 -4.959 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.392 -5.319 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.974 -7.090 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.501 -7.212 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.017 -6.558 0.138 1.00 0.00 H new ATOM 146 N ASN A 36 16.172 -5.462 -4.731 1.00 0.00 N ATOM 147 CA ASN A 36 16.785 -6.142 -5.872 1.00 0.00 C ATOM 148 C ASN A 36 15.762 -6.457 -6.972 1.00 0.00 C ATOM 149 O ASN A 36 15.308 -7.593 -7.104 1.00 0.00 O ATOM 150 CB ASN A 36 17.470 -7.430 -5.411 1.00 0.00 C ATOM 151 CG ASN A 36 18.849 -7.604 -6.018 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.223 -6.898 -6.950 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.614 -8.544 -5.490 1.00 0.00 N ATOM 0 H ASN A 36 15.912 -6.080 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 36 17.527 -5.465 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.553 -7.425 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.848 -8.284 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.552 -8.704 -5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.266 -9.110 -4.716 1.00 0.00 H new ATOM 160 N GLY A 37 15.398 -5.440 -7.752 1.00 0.00 N ATOM 161 CA GLY A 37 14.451 -5.637 -8.842 1.00 0.00 C ATOM 162 C GLY A 37 13.008 -5.316 -8.476 1.00 0.00 C ATOM 163 O GLY A 37 12.134 -5.325 -9.340 1.00 0.00 O ATOM 0 H GLY A 37 15.740 -4.485 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.748 -5.013 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.508 -6.673 -9.176 1.00 0.00 H new ATOM 167 N TYR A 38 12.757 -5.031 -7.204 1.00 0.00 N ATOM 168 CA TYR A 38 11.405 -4.711 -6.741 1.00 0.00 C ATOM 169 C TYR A 38 11.436 -3.635 -5.656 1.00 0.00 C ATOM 170 O TYR A 38 12.474 -3.394 -5.046 1.00 0.00 O ATOM 171 CB TYR A 38 10.705 -5.976 -6.219 1.00 0.00 C ATOM 172 CG TYR A 38 11.326 -6.575 -4.971 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.461 -7.374 -5.049 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.769 -6.348 -3.719 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.024 -7.927 -3.913 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.326 -6.897 -2.581 1.00 0.00 C ATOM 177 CZ TYR A 38 12.452 -7.685 -2.683 1.00 0.00 C ATOM 178 OH TYR A 38 13.008 -8.234 -1.548 1.00 0.00 O ATOM 0 H TYR A 38 13.468 -5.014 -6.473 1.00 0.00 H new ATOM 0 HA TYR A 38 10.841 -4.321 -7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.662 -5.738 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.709 -6.729 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.910 -7.566 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.886 -5.732 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.907 -8.545 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.881 -6.710 -1.615 1.00 0.00 H new ATOM 0 HH TYR A 38 13.911 -8.556 -1.749 1.00 0.00 H new ATOM 188 N GLN A 39 10.302 -2.985 -5.422 1.00 0.00 N ATOM 189 CA GLN A 39 10.223 -1.940 -4.400 1.00 0.00 C ATOM 190 C GLN A 39 9.362 -2.381 -3.220 1.00 0.00 C ATOM 191 O GLN A 39 8.498 -3.249 -3.353 1.00 0.00 O ATOM 192 CB GLN A 39 9.670 -0.634 -4.978 1.00 0.00 C ATOM 193 CG GLN A 39 9.906 -0.460 -6.471 1.00 0.00 C ATOM 194 CD GLN A 39 10.685 0.801 -6.796 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.621 0.780 -7.590 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.302 1.911 -6.186 1.00 0.00 N ATOM 0 H GLN A 39 9.429 -3.159 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 39 11.239 -1.765 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.598 -0.590 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.125 0.204 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.447 -1.326 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.946 -0.432 -6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.519 1.890 -5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.789 2.788 -6.370 1.00 0.00 H new ATOM 205 N GLU A 40 9.597 -1.763 -2.068 1.00 0.00 N ATOM 206 CA GLU A 40 8.854 -2.091 -0.854 1.00 0.00 C ATOM 207 C GLU A 40 8.637 -0.853 0.021 1.00 0.00 C ATOM 208 O GLU A 40 9.491 0.030 0.095 1.00 0.00 O ATOM 209 CB GLU A 40 9.606 -3.165 -0.060 1.00 0.00 C ATOM 210 CG GLU A 40 8.764 -3.858 1.001 1.00 0.00 C ATOM 211 CD GLU A 40 9.571 -4.258 2.221 1.00 0.00 C ATOM 212 OE1 GLU A 40 9.669 -3.442 3.162 1.00 0.00 O ATOM 213 OE2 GLU A 40 10.103 -5.389 2.237 1.00 0.00 O ATOM 0 H GLU A 40 10.297 -1.031 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 40 7.875 -2.470 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.986 -3.915 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.471 -2.707 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.955 -3.195 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.302 -4.746 0.569 1.00 0.00 H new ATOM 220 N ILE A 41 7.482 -0.793 0.674 1.00 0.00 N ATOM 221 CA ILE A 41 7.153 0.326 1.560 1.00 0.00 C ATOM 222 C ILE A 41 6.290 -0.147 2.733 1.00 0.00 C ATOM 223 O ILE A 41 5.283 -0.831 2.543 1.00 0.00 O ATOM 224 CB ILE A 41 6.427 1.474 0.806 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.863 2.501 1.792 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.313 0.929 -0.074 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.483 3.878 1.671 1.00 0.00 C ATOM 0 H ILE A 41 6.755 -1.505 0.609 1.00 0.00 H new ATOM 0 HA ILE A 41 8.097 0.717 1.940 1.00 0.00 H new ATOM 0 HB ILE A 41 7.160 1.968 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.787 2.584 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.013 2.135 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.821 1.753 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.733 0.240 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.586 0.402 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.030 4.547 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.555 3.812 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.310 4.268 0.668 1.00 0.00 H new ATOM 239 N ARG A 42 6.702 0.205 3.948 1.00 0.00 N ATOM 240 CA ARG A 42 5.956 -0.173 5.143 1.00 0.00 C ATOM 241 C ARG A 42 4.934 0.901 5.511 1.00 0.00 C ATOM 242 O ARG A 42 5.288 1.998 5.945 1.00 0.00 O ATOM 243 CB ARG A 42 6.904 -0.428 6.316 1.00 0.00 C ATOM 244 CG ARG A 42 6.577 -1.699 7.085 1.00 0.00 C ATOM 245 CD ARG A 42 7.398 -1.811 8.361 1.00 0.00 C ATOM 246 NE ARG A 42 6.650 -1.356 9.531 1.00 0.00 N ATOM 247 CZ ARG A 42 6.574 -2.026 10.671 1.00 0.00 C ATOM 248 NH1 ARG A 42 7.183 -3.181 10.813 1.00 0.00 N ATOM 249 NH2 ARG A 42 5.886 -1.540 11.674 1.00 0.00 N ATOM 0 H ARG A 42 7.545 0.749 4.130 1.00 0.00 H new ATOM 0 HA ARG A 42 5.420 -1.096 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.926 -0.490 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.865 0.422 6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.516 -1.712 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.767 -2.566 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.704 -2.847 8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.309 -1.221 8.260 1.00 0.00 H new ATOM 0 HE ARG A 42 6.155 -0.466 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.722 -3.572 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.117 -3.687 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.408 -0.644 11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.829 -2.057 12.551 1.00 0.00 H new ATOM 263 N VAL A 43 3.665 0.569 5.333 1.00 0.00 N ATOM 264 CA VAL A 43 2.572 1.487 5.631 1.00 0.00 C ATOM 265 C VAL A 43 1.940 1.156 6.982 1.00 0.00 C ATOM 266 O VAL A 43 1.259 0.139 7.135 1.00 0.00 O ATOM 267 CB VAL A 43 1.496 1.443 4.521 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.366 2.417 4.806 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.121 1.746 3.170 1.00 0.00 C ATOM 0 H VAL A 43 3.363 -0.339 4.980 1.00 0.00 H new ATOM 0 HA VAL A 43 2.986 2.494 5.675 1.00 0.00 H new ATOM 0 HB VAL A 43 1.076 0.437 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.373 2.361 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.105 2.160 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.764 3.430 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.353 1.712 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.570 2.739 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.890 1.005 2.950 1.00 0.00 H new ATOM 279 N GLU A 44 2.188 2.014 7.966 1.00 0.00 N ATOM 280 CA GLU A 44 1.641 1.824 9.305 1.00 0.00 C ATOM 281 C GLU A 44 0.141 2.117 9.321 1.00 0.00 C ATOM 282 O GLU A 44 -0.299 3.196 8.917 1.00 0.00 O ATOM 283 CB GLU A 44 2.370 2.721 10.307 1.00 0.00 C ATOM 284 CG GLU A 44 2.474 2.129 11.703 1.00 0.00 C ATOM 285 CD GLU A 44 3.897 1.754 12.078 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.426 0.773 11.507 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.484 2.440 12.941 1.00 0.00 O ATOM 0 H GLU A 44 2.765 2.849 7.861 1.00 0.00 H new ATOM 0 HA GLU A 44 1.790 0.784 9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.374 2.925 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.852 3.678 10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.090 2.847 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.841 1.244 11.765 1.00 0.00 H new ATOM 294 N VAL A 45 -0.637 1.148 9.786 1.00 0.00 N ATOM 295 CA VAL A 45 -2.087 1.281 9.841 1.00 0.00 C ATOM 296 C VAL A 45 -2.569 1.533 11.277 1.00 0.00 C ATOM 297 O VAL A 45 -2.730 0.604 12.076 1.00 0.00 O ATOM 298 CB VAL A 45 -2.765 0.022 9.248 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.262 0.016 9.501 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.486 -0.075 7.755 1.00 0.00 C ATOM 0 H VAL A 45 -0.285 0.256 10.133 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.371 2.145 9.241 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.340 -0.847 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.700 -0.884 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.450 0.032 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.712 0.896 9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.969 -0.965 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.878 0.810 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.411 -0.139 7.589 1.00 0.00 H new ATOM 310 N MET A 46 -2.775 2.808 11.597 1.00 0.00 N ATOM 311 CA MET A 46 -3.243 3.216 12.923 1.00 0.00 C ATOM 312 C MET A 46 -4.229 4.380 12.805 1.00 0.00 C ATOM 313 O MET A 46 -3.845 5.548 12.857 1.00 0.00 O ATOM 314 CB MET A 46 -2.056 3.613 13.812 1.00 0.00 C ATOM 315 CG MET A 46 -1.048 4.513 13.115 1.00 0.00 C ATOM 316 SD MET A 46 0.082 5.321 14.266 1.00 0.00 S ATOM 317 CE MET A 46 1.227 3.991 14.620 1.00 0.00 C ATOM 0 H MET A 46 -2.624 3.583 10.952 1.00 0.00 H new ATOM 0 HA MET A 46 -3.755 2.371 13.384 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.432 4.122 14.700 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.550 2.710 14.152 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.472 3.922 12.402 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.581 5.272 12.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.388 3.926 15.696 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.815 3.050 14.257 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.177 4.187 14.123 1.00 0.00 H new ATOM 327 N GLY A 47 -5.506 4.056 12.632 1.00 0.00 N ATOM 328 CA GLY A 47 -6.516 5.092 12.466 1.00 0.00 C ATOM 329 C GLY A 47 -6.596 5.553 11.018 1.00 0.00 C ATOM 330 O GLY A 47 -7.559 6.196 10.604 1.00 0.00 O ATOM 0 H GLY A 47 -5.861 3.100 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.487 4.712 12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.280 5.940 13.108 1.00 0.00 H new ATOM 334 N GLY A 48 -5.560 5.206 10.260 1.00 0.00 N ATOM 335 CA GLY A 48 -5.480 5.554 8.856 1.00 0.00 C ATOM 336 C GLY A 48 -4.184 5.063 8.237 1.00 0.00 C ATOM 337 O GLY A 48 -3.736 3.954 8.529 1.00 0.00 O ATOM 0 H GLY A 48 -4.759 4.678 10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.327 5.121 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.552 6.636 8.743 1.00 0.00 H new ATOM 341 N TYR A 49 -3.572 5.886 7.396 1.00 0.00 N ATOM 342 CA TYR A 49 -2.314 5.523 6.748 1.00 0.00 C ATOM 343 C TYR A 49 -1.220 6.532 7.095 1.00 0.00 C ATOM 344 O TYR A 49 -1.427 7.739 6.968 1.00 0.00 O ATOM 345 CB TYR A 49 -2.497 5.459 5.227 1.00 0.00 C ATOM 346 CG TYR A 49 -3.627 4.556 4.781 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.543 3.176 4.922 1.00 0.00 C ATOM 348 CD2 TYR A 49 -4.780 5.088 4.220 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.575 2.352 4.515 1.00 0.00 C ATOM 350 CE2 TYR A 49 -5.817 4.272 3.811 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.711 2.906 3.960 1.00 0.00 C ATOM 352 OH TYR A 49 -6.742 2.094 3.554 1.00 0.00 O ATOM 0 H TYR A 49 -3.924 6.810 7.145 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.014 4.540 7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.680 6.465 4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.568 5.113 4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.656 2.740 5.357 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.868 6.158 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.493 1.281 4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.707 4.703 3.376 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.591 2.575 3.643 1.00 0.00 H new ATOM 362 N THR A 50 -0.060 6.041 7.540 1.00 0.00 N ATOM 363 CA THR A 50 1.053 6.930 7.889 1.00 0.00 C ATOM 364 C THR A 50 1.585 7.659 6.643 1.00 0.00 C ATOM 365 O THR A 50 1.555 8.890 6.596 1.00 0.00 O ATOM 366 CB THR A 50 2.192 6.182 8.623 1.00 0.00 C ATOM 367 OG1 THR A 50 1.759 5.809 9.936 1.00 0.00 O ATOM 368 CG2 THR A 50 3.445 7.043 8.737 1.00 0.00 C ATOM 0 H THR A 50 0.132 5.047 7.666 1.00 0.00 H new ATOM 0 HA THR A 50 0.663 7.675 8.583 1.00 0.00 H new ATOM 0 HB THR A 50 2.436 5.294 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.530 5.788 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.223 6.485 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.795 7.310 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.214 7.950 9.295 1.00 0.00 H new ATOM 376 N PRO A 51 2.093 6.936 5.612 1.00 0.00 N ATOM 377 CA PRO A 51 2.561 7.583 4.388 1.00 0.00 C ATOM 378 C PRO A 51 1.385 8.002 3.507 1.00 0.00 C ATOM 379 O PRO A 51 0.850 7.194 2.745 1.00 0.00 O ATOM 380 CB PRO A 51 3.391 6.497 3.705 1.00 0.00 C ATOM 381 CG PRO A 51 2.781 5.220 4.161 1.00 0.00 C ATOM 382 CD PRO A 51 2.283 5.469 5.561 1.00 0.00 C ATOM 0 HA PRO A 51 3.127 8.494 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.351 6.591 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.441 6.560 3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.964 4.923 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.512 4.412 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.351 4.938 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.003 5.133 6.307 1.00 0.00 H new ATOM 390 N GLU A 52 0.975 9.266 3.632 1.00 0.00 N ATOM 391 CA GLU A 52 -0.153 9.802 2.859 1.00 0.00 C ATOM 392 C GLU A 52 -0.014 9.519 1.361 1.00 0.00 C ATOM 393 O GLU A 52 -0.984 9.146 0.702 1.00 0.00 O ATOM 394 CB GLU A 52 -0.302 11.311 3.096 1.00 0.00 C ATOM 395 CG GLU A 52 1.006 12.085 3.022 1.00 0.00 C ATOM 396 CD GLU A 52 1.353 12.775 4.329 1.00 0.00 C ATOM 397 OE1 GLU A 52 2.033 12.147 5.166 1.00 0.00 O ATOM 398 OE2 GLU A 52 0.935 13.938 4.516 1.00 0.00 O ATOM 0 H GLU A 52 1.407 9.941 4.263 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.050 9.292 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.994 11.717 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.751 11.471 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.812 11.403 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.938 12.830 2.229 1.00 0.00 H new ATOM 405 N LEU A 53 1.193 9.695 0.830 1.00 0.00 N ATOM 406 CA LEU A 53 1.446 9.446 -0.584 1.00 0.00 C ATOM 407 C LEU A 53 2.696 8.587 -0.768 1.00 0.00 C ATOM 408 O LEU A 53 3.793 8.990 -0.387 1.00 0.00 O ATOM 409 CB LEU A 53 1.607 10.764 -1.355 1.00 0.00 C ATOM 410 CG LEU A 53 1.347 12.046 -0.565 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.172 13.192 -1.129 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.134 12.401 -0.595 1.00 0.00 C ATOM 0 H LEU A 53 2.008 10.008 1.357 1.00 0.00 H new ATOM 0 HA LEU A 53 0.585 8.910 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.621 10.806 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.931 10.745 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 53 1.643 11.877 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.976 14.098 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.231 12.944 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.901 13.357 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.300 13.317 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.451 12.551 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.712 11.590 -0.152 1.00 0.00 H new ATOM 424 N ILE A 54 2.527 7.407 -1.355 1.00 0.00 N ATOM 425 CA ILE A 54 3.656 6.507 -1.592 1.00 0.00 C ATOM 426 C ILE A 54 4.176 6.650 -3.022 1.00 0.00 C ATOM 427 O ILE A 54 3.424 6.515 -3.989 1.00 0.00 O ATOM 428 CB ILE A 54 3.298 5.027 -1.323 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.921 4.677 -1.892 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.347 4.730 0.167 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.570 3.209 -1.769 1.00 0.00 C ATOM 0 H ILE A 54 1.626 7.051 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 54 4.435 6.799 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 54 4.038 4.407 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.163 5.268 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.888 4.963 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.092 3.684 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.351 4.925 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.633 5.367 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.581 3.035 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.306 2.613 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.570 2.922 -0.718 1.00 0.00 H new ATOM 443 N VAL A 55 5.464 6.938 -3.152 1.00 0.00 N ATOM 444 CA VAL A 55 6.079 7.108 -4.466 1.00 0.00 C ATOM 445 C VAL A 55 6.778 5.828 -4.928 1.00 0.00 C ATOM 446 O VAL A 55 7.615 5.269 -4.215 1.00 0.00 O ATOM 447 CB VAL A 55 7.089 8.277 -4.460 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.773 8.419 -5.813 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.399 9.577 -4.070 1.00 0.00 C ATOM 0 H VAL A 55 6.104 7.059 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 55 5.276 7.337 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 55 7.856 8.055 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.478 9.250 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.307 7.499 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.024 8.611 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.126 10.389 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.607 9.798 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.969 9.476 -3.073 1.00 0.00 H new ATOM 459 N LEU A 56 6.425 5.375 -6.130 1.00 0.00 N ATOM 460 CA LEU A 56 7.005 4.159 -6.700 1.00 0.00 C ATOM 461 C LEU A 56 7.414 4.368 -8.162 1.00 0.00 C ATOM 462 O LEU A 56 7.085 5.386 -8.774 1.00 0.00 O ATOM 463 CB LEU A 56 6.001 3.005 -6.609 1.00 0.00 C ATOM 464 CG LEU A 56 5.575 2.617 -5.190 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.120 2.179 -5.169 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.471 1.515 -4.649 1.00 0.00 C ATOM 0 H LEU A 56 5.738 5.833 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 56 7.898 3.915 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.110 3.275 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.434 2.129 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 56 5.678 3.492 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.836 1.907 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.489 2.997 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.990 1.318 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.155 1.251 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.399 0.638 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.503 1.864 -4.626 1.00 0.00 H new ATOM 478 N LYS A 57 8.136 3.396 -8.718 1.00 0.00 N ATOM 479 CA LYS A 57 8.579 3.469 -10.109 1.00 0.00 C ATOM 480 C LYS A 57 7.578 2.769 -11.033 1.00 0.00 C ATOM 481 O LYS A 57 6.629 2.140 -10.567 1.00 0.00 O ATOM 482 CB LYS A 57 9.968 2.839 -10.258 1.00 0.00 C ATOM 483 CG LYS A 57 11.069 3.848 -10.549 1.00 0.00 C ATOM 484 CD LYS A 57 11.629 3.676 -11.952 1.00 0.00 C ATOM 485 CE LYS A 57 12.842 2.761 -11.961 1.00 0.00 C ATOM 486 NZ LYS A 57 13.210 2.335 -13.339 1.00 0.00 N ATOM 0 H LYS A 57 8.426 2.550 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 57 8.636 4.519 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.213 2.301 -9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.939 2.104 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.677 4.859 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.871 3.733 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.858 3.266 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.904 4.650 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.687 3.275 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.636 1.881 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.042 1.712 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.414 1.822 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.432 3.173 -13.914 1.00 0.00 H new ATOM 500 N LYS A 58 7.795 2.873 -12.341 1.00 0.00 N ATOM 501 CA LYS A 58 6.892 2.258 -13.313 1.00 0.00 C ATOM 502 C LYS A 58 7.490 0.986 -13.921 1.00 0.00 C ATOM 503 O LYS A 58 8.704 0.882 -14.096 1.00 0.00 O ATOM 504 CB LYS A 58 6.549 3.255 -14.422 1.00 0.00 C ATOM 505 CG LYS A 58 5.398 2.803 -15.308 1.00 0.00 C ATOM 506 CD LYS A 58 5.133 3.790 -16.433 1.00 0.00 C ATOM 507 CE LYS A 58 6.001 3.499 -17.646 1.00 0.00 C ATOM 508 NZ LYS A 58 6.760 4.702 -18.090 1.00 0.00 N ATOM 0 H LYS A 58 8.583 3.374 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 58 5.982 1.978 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.295 4.215 -13.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.432 3.417 -15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.626 1.824 -15.729 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.497 2.689 -14.705 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.082 3.745 -16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.325 4.804 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.700 2.697 -17.408 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.374 3.144 -18.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.538 4.410 -18.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.124 5.343 -18.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.148 5.193 -17.260 1.00 0.00 H new ATOM 522 N SER A 59 6.610 0.024 -14.229 1.00 0.00 N ATOM 523 CA SER A 59 7.000 -1.262 -14.828 1.00 0.00 C ATOM 524 C SER A 59 7.868 -2.093 -13.878 1.00 0.00 C ATOM 525 O SER A 59 8.587 -2.998 -14.305 1.00 0.00 O ATOM 526 CB SER A 59 7.730 -1.045 -16.162 1.00 0.00 C ATOM 527 OG SER A 59 8.037 -2.281 -16.785 1.00 0.00 O ATOM 0 H SER A 59 5.606 0.114 -14.070 1.00 0.00 H new ATOM 0 HA SER A 59 6.083 -1.820 -15.016 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.109 -0.444 -16.826 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.648 -0.483 -15.990 1.00 0.00 H new ATOM 0 HG SER A 59 8.390 -2.905 -16.117 1.00 0.00 H new ATOM 533 N VAL A 60 7.786 -1.785 -12.590 1.00 0.00 N ATOM 534 CA VAL A 60 8.561 -2.495 -11.579 1.00 0.00 C ATOM 535 C VAL A 60 7.643 -3.094 -10.505 1.00 0.00 C ATOM 536 O VAL A 60 6.690 -2.449 -10.062 1.00 0.00 O ATOM 537 CB VAL A 60 9.611 -1.555 -10.928 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.954 -0.564 -9.979 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.687 -2.346 -10.203 1.00 0.00 C ATOM 0 H VAL A 60 7.189 -1.046 -12.219 1.00 0.00 H new ATOM 0 HA VAL A 60 9.088 -3.311 -12.074 1.00 0.00 H new ATOM 0 HB VAL A 60 10.084 -0.994 -11.734 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.716 0.079 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.237 0.046 -10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.437 -1.106 -9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.407 -1.659 -9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.229 -2.949 -9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.198 -2.998 -10.911 1.00 0.00 H new ATOM 549 N PRO A 61 7.882 -4.357 -10.105 1.00 0.00 N ATOM 550 CA PRO A 61 7.081 -5.009 -9.063 1.00 0.00 C ATOM 551 C PRO A 61 7.241 -4.314 -7.710 1.00 0.00 C ATOM 552 O PRO A 61 8.351 -4.172 -7.200 1.00 0.00 O ATOM 553 CB PRO A 61 7.639 -6.436 -9.011 1.00 0.00 C ATOM 554 CG PRO A 61 8.993 -6.352 -9.631 1.00 0.00 C ATOM 555 CD PRO A 61 8.918 -5.249 -10.649 1.00 0.00 C ATOM 0 HA PRO A 61 6.014 -4.975 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.698 -6.798 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.999 -7.129 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.753 -6.138 -8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.266 -7.297 -10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.874 -4.736 -10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.646 -5.628 -11.634 1.00 0.00 H new ATOM 563 N ALA A 62 6.134 -3.866 -7.142 1.00 0.00 N ATOM 564 CA ALA A 62 6.171 -3.179 -5.856 1.00 0.00 C ATOM 565 C ALA A 62 5.260 -3.852 -4.834 1.00 0.00 C ATOM 566 O ALA A 62 4.148 -4.269 -5.157 1.00 0.00 O ATOM 567 CB ALA A 62 5.781 -1.721 -6.036 1.00 0.00 C ATOM 0 H ALA A 62 5.202 -3.963 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 62 7.190 -3.234 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.811 -1.215 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.479 -1.239 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.773 -1.662 -6.446 1.00 0.00 H new ATOM 573 N ARG A 63 5.736 -3.960 -3.599 1.00 0.00 N ATOM 574 CA ARG A 63 4.950 -4.584 -2.544 1.00 0.00 C ATOM 575 C ARG A 63 4.721 -3.624 -1.375 1.00 0.00 C ATOM 576 O ARG A 63 5.655 -3.028 -0.831 1.00 0.00 O ATOM 577 CB ARG A 63 5.609 -5.892 -2.084 1.00 0.00 C ATOM 578 CG ARG A 63 6.872 -5.720 -1.261 1.00 0.00 C ATOM 579 CD ARG A 63 7.831 -6.879 -1.477 1.00 0.00 C ATOM 580 NE ARG A 63 8.351 -7.408 -0.216 1.00 0.00 N ATOM 581 CZ ARG A 63 8.255 -8.676 0.157 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.659 -9.560 -0.609 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.759 -9.060 1.303 1.00 0.00 N ATOM 0 H ARG A 63 6.654 -3.626 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 63 3.969 -4.828 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.886 -6.459 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.845 -6.491 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.361 -4.784 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.614 -5.650 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.320 -7.675 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.662 -6.550 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 63 8.818 -6.759 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.262 -9.274 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.593 -10.533 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.225 -8.383 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.686 -10.036 1.591 1.00 0.00 H new ATOM 597 N ILE A 64 3.456 -3.463 -1.015 1.00 0.00 N ATOM 598 CA ILE A 64 3.070 -2.578 0.081 1.00 0.00 C ATOM 599 C ILE A 64 2.834 -3.373 1.364 1.00 0.00 C ATOM 600 O ILE A 64 1.926 -4.200 1.433 1.00 0.00 O ATOM 601 CB ILE A 64 1.790 -1.781 -0.264 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.776 -1.378 -1.746 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.672 -0.554 0.628 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.762 -0.282 -2.100 1.00 0.00 C ATOM 0 H ILE A 64 2.673 -3.936 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 64 3.892 -1.878 0.234 1.00 0.00 H new ATOM 0 HB ILE A 64 0.929 -2.424 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.994 -2.257 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.772 -1.048 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.766 -0.004 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.625 -0.866 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.540 0.088 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.689 -0.056 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.533 0.614 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.774 -0.614 -1.868 1.00 0.00 H new ATOM 616 N VAL A 65 3.658 -3.121 2.378 1.00 0.00 N ATOM 617 CA VAL A 65 3.539 -3.824 3.655 1.00 0.00 C ATOM 618 C VAL A 65 2.639 -3.061 4.624 1.00 0.00 C ATOM 619 O VAL A 65 3.009 -2.000 5.121 1.00 0.00 O ATOM 620 CB VAL A 65 4.919 -4.041 4.315 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.840 -5.119 5.385 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.971 -4.399 3.273 1.00 0.00 C ATOM 0 H VAL A 65 4.414 -2.437 2.342 1.00 0.00 H new ATOM 0 HA VAL A 65 3.094 -4.795 3.437 1.00 0.00 H new ATOM 0 HB VAL A 65 5.215 -3.106 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.822 -5.256 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.126 -4.819 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.514 -6.056 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.933 -4.547 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.680 -5.317 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.054 -3.590 2.547 1.00 0.00 H new ATOM 632 N PHE A 66 1.462 -3.609 4.897 1.00 0.00 N ATOM 633 CA PHE A 66 0.511 -2.970 5.804 1.00 0.00 C ATOM 634 C PHE A 66 0.634 -3.523 7.224 1.00 0.00 C ATOM 635 O PHE A 66 0.365 -4.699 7.474 1.00 0.00 O ATOM 636 CB PHE A 66 -0.917 -3.158 5.283 1.00 0.00 C ATOM 637 CG PHE A 66 -1.202 -2.362 4.041 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.321 -0.983 4.099 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.341 -2.993 2.815 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.575 -0.249 2.958 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.594 -2.262 1.670 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.710 -0.888 1.742 1.00 0.00 C ATOM 0 H PHE A 66 1.141 -4.494 4.505 1.00 0.00 H new ATOM 0 HA PHE A 66 0.743 -1.906 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.086 -4.215 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.622 -2.869 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.214 -0.477 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.251 -4.067 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.668 0.825 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.701 -2.765 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.906 -0.314 0.848 1.00 0.00 H new ATOM 652 N ASP A 67 1.051 -2.660 8.148 1.00 0.00 N ATOM 653 CA ASP A 67 1.209 -3.041 9.550 1.00 0.00 C ATOM 654 C ASP A 67 0.004 -2.575 10.368 1.00 0.00 C ATOM 655 O ASP A 67 -0.119 -1.391 10.681 1.00 0.00 O ATOM 656 CB ASP A 67 2.502 -2.433 10.111 1.00 0.00 C ATOM 657 CG ASP A 67 2.733 -2.778 11.572 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.938 -3.972 11.874 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.708 -1.854 12.412 1.00 0.00 O ATOM 0 H ASP A 67 1.287 -1.688 7.950 1.00 0.00 H new ATOM 0 HA ASP A 67 1.270 -4.127 9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.349 -2.785 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.466 -1.349 10.000 1.00 0.00 H new ATOM 664 N ARG A 68 -0.877 -3.507 10.722 1.00 0.00 N ATOM 665 CA ARG A 68 -2.074 -3.168 11.489 1.00 0.00 C ATOM 666 C ARG A 68 -1.767 -2.952 12.970 1.00 0.00 C ATOM 667 O ARG A 68 -1.516 -3.901 13.717 1.00 0.00 O ATOM 668 CB ARG A 68 -3.141 -4.251 11.337 1.00 0.00 C ATOM 669 CG ARG A 68 -4.494 -3.837 11.896 1.00 0.00 C ATOM 670 CD ARG A 68 -5.530 -3.672 10.799 1.00 0.00 C ATOM 671 NE ARG A 68 -6.292 -4.897 10.584 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.462 -5.150 11.147 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.019 -4.281 11.957 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.076 -6.277 10.894 1.00 0.00 N ATOM 0 H ARG A 68 -0.787 -4.497 10.492 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.452 -2.229 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.251 -4.499 10.281 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.806 -5.156 11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.837 -4.586 12.610 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.390 -2.899 12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.211 -2.862 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.035 -3.385 9.872 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.898 -5.602 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.549 -3.398 12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.922 -4.488 12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.653 -6.958 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.978 -6.475 11.327 1.00 0.00 H new ATOM 688 N LYS A 69 -1.795 -1.691 13.380 1.00 0.00 N ATOM 689 CA LYS A 69 -1.539 -1.318 14.768 1.00 0.00 C ATOM 690 C LYS A 69 -2.856 -1.036 15.497 1.00 0.00 C ATOM 691 O LYS A 69 -2.993 -1.303 16.691 1.00 0.00 O ATOM 692 CB LYS A 69 -0.629 -0.086 14.819 1.00 0.00 C ATOM 693 CG LYS A 69 -0.093 0.227 16.207 1.00 0.00 C ATOM 694 CD LYS A 69 -0.649 1.541 16.738 1.00 0.00 C ATOM 695 CE LYS A 69 -0.026 1.909 18.075 1.00 0.00 C ATOM 696 NZ LYS A 69 -1.041 2.409 19.042 1.00 0.00 N ATOM 0 H LYS A 69 -1.994 -0.901 12.766 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.039 -2.148 15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.211 -0.239 14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.182 0.778 14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.354 -0.582 16.890 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.995 0.278 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.460 2.336 16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.730 1.462 16.849 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.476 1.037 18.494 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.737 2.673 17.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.576 2.649 19.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.502 3.256 18.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.755 1.671 19.208 1.00 0.00 H new ATOM 710 N ASP A 70 -3.822 -0.492 14.765 1.00 0.00 N ATOM 711 CA ASP A 70 -5.131 -0.174 15.330 1.00 0.00 C ATOM 712 C ASP A 70 -6.212 -1.105 14.763 1.00 0.00 C ATOM 713 O ASP A 70 -6.282 -1.324 13.553 1.00 0.00 O ATOM 714 CB ASP A 70 -5.481 1.289 15.036 1.00 0.00 C ATOM 715 CG ASP A 70 -6.385 1.899 16.091 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.858 2.459 17.073 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.624 1.813 15.932 1.00 0.00 O ATOM 0 H ASP A 70 -3.724 -0.261 13.776 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.090 -0.322 16.409 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.562 1.872 14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.970 1.353 14.064 1.00 0.00 H new ATOM 722 N PRO A 71 -7.080 -1.654 15.636 1.00 0.00 N ATOM 723 CA PRO A 71 -8.159 -2.565 15.229 1.00 0.00 C ATOM 724 C PRO A 71 -9.395 -1.830 14.702 1.00 0.00 C ATOM 725 O PRO A 71 -10.529 -2.210 14.993 1.00 0.00 O ATOM 726 CB PRO A 71 -8.485 -3.288 16.532 1.00 0.00 C ATOM 727 CG PRO A 71 -8.240 -2.262 17.584 1.00 0.00 C ATOM 728 CD PRO A 71 -7.081 -1.430 17.095 1.00 0.00 C ATOM 0 HA PRO A 71 -7.860 -3.217 14.408 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.518 -3.637 16.547 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.851 -4.163 16.672 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.125 -1.645 17.740 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.007 -2.732 18.540 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.214 -0.376 17.338 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.142 -1.746 17.549 1.00 0.00 H new ATOM 736 N SER A 72 -9.167 -0.774 13.926 1.00 0.00 N ATOM 737 CA SER A 72 -10.257 0.017 13.356 1.00 0.00 C ATOM 738 C SER A 72 -11.046 -0.788 12.321 1.00 0.00 C ATOM 739 O SER A 72 -10.463 -1.481 11.486 1.00 0.00 O ATOM 740 CB SER A 72 -9.702 1.290 12.706 1.00 0.00 C ATOM 741 OG SER A 72 -8.489 1.695 13.322 1.00 0.00 O ATOM 0 H SER A 72 -8.235 -0.444 13.676 1.00 0.00 H new ATOM 0 HA SER A 72 -10.933 0.287 14.167 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.532 1.115 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.437 2.091 12.783 1.00 0.00 H new ATOM 0 HG SER A 72 -8.587 1.652 14.296 1.00 0.00 H new ATOM 747 N PRO A 73 -12.391 -0.690 12.347 1.00 0.00 N ATOM 748 CA PRO A 73 -13.266 -1.421 11.413 1.00 0.00 C ATOM 749 C PRO A 73 -13.052 -1.015 9.954 1.00 0.00 C ATOM 750 O PRO A 73 -13.139 -1.845 9.050 1.00 0.00 O ATOM 751 CB PRO A 73 -14.679 -1.041 11.870 1.00 0.00 C ATOM 752 CG PRO A 73 -14.508 0.241 12.611 1.00 0.00 C ATOM 753 CD PRO A 73 -13.167 0.144 13.283 1.00 0.00 C ATOM 0 HA PRO A 73 -13.066 -2.492 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.350 -0.920 11.020 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.109 -1.813 12.509 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.546 1.094 11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.304 0.380 13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.713 1.125 13.422 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.241 -0.316 14.268 1.00 0.00 H new ATOM 761 N CYS A 74 -12.758 0.266 9.733 1.00 0.00 N ATOM 762 CA CYS A 74 -12.526 0.782 8.385 1.00 0.00 C ATOM 763 C CYS A 74 -11.134 0.407 7.870 1.00 0.00 C ATOM 764 O CYS A 74 -10.806 0.648 6.710 1.00 0.00 O ATOM 765 CB CYS A 74 -12.690 2.304 8.366 1.00 0.00 C ATOM 766 SG CYS A 74 -12.152 3.121 9.887 1.00 0.00 S ATOM 0 H CYS A 74 -12.675 0.965 10.471 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.265 0.327 7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.123 2.710 7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.738 2.544 8.188 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.327 4.404 9.775 1.00 0.00 H new ATOM 772 N LEU A 75 -10.320 -0.185 8.740 1.00 0.00 N ATOM 773 CA LEU A 75 -8.965 -0.588 8.375 1.00 0.00 C ATOM 774 C LEU A 75 -8.807 -2.112 8.405 1.00 0.00 C ATOM 775 O LEU A 75 -7.701 -2.629 8.260 1.00 0.00 O ATOM 776 CB LEU A 75 -7.955 0.056 9.327 1.00 0.00 C ATOM 777 CG LEU A 75 -7.703 1.549 9.102 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.947 2.136 10.280 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.931 1.777 7.811 1.00 0.00 C ATOM 0 H LEU A 75 -10.576 -0.397 9.704 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.777 -0.248 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.303 -0.087 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.007 -0.473 9.236 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.666 2.052 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.774 3.198 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.533 2.006 11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.990 1.625 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.763 2.845 7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.971 1.263 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.505 1.387 6.970 1.00 0.00 H new ATOM 791 N ASP A 76 -9.922 -2.824 8.589 1.00 0.00 N ATOM 792 CA ASP A 76 -9.908 -4.288 8.638 1.00 0.00 C ATOM 793 C ASP A 76 -9.517 -4.890 7.285 1.00 0.00 C ATOM 794 O ASP A 76 -8.807 -5.894 7.217 1.00 0.00 O ATOM 795 CB ASP A 76 -11.285 -4.806 9.064 1.00 0.00 C ATOM 796 CG ASP A 76 -11.215 -6.161 9.745 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.879 -6.206 10.949 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.501 -7.176 9.076 1.00 0.00 O ATOM 0 H ASP A 76 -10.847 -2.410 8.707 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.160 -4.595 9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.746 -4.087 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.929 -4.877 8.188 1.00 0.00 H new ATOM 803 N GLN A 77 -9.997 -4.276 6.209 1.00 0.00 N ATOM 804 CA GLN A 77 -9.698 -4.746 4.859 1.00 0.00 C ATOM 805 C GLN A 77 -9.088 -3.625 4.024 1.00 0.00 C ATOM 806 O GLN A 77 -9.250 -2.446 4.337 1.00 0.00 O ATOM 807 CB GLN A 77 -10.969 -5.264 4.175 1.00 0.00 C ATOM 808 CG GLN A 77 -11.802 -6.195 5.044 1.00 0.00 C ATOM 809 CD GLN A 77 -13.010 -6.757 4.318 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.248 -7.961 4.323 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.787 -5.888 3.691 1.00 0.00 N ATOM 0 H GLN A 77 -10.595 -3.451 6.244 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.979 -5.562 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.583 -4.413 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.690 -5.789 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.176 -7.018 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.136 -5.655 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.558 -4.894 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.615 -6.212 3.191 1.00 0.00 H new ATOM 820 N ILE A 78 -8.382 -3.995 2.964 1.00 0.00 N ATOM 821 CA ILE A 78 -7.768 -3.012 2.079 1.00 0.00 C ATOM 822 C ILE A 78 -8.042 -3.349 0.616 1.00 0.00 C ATOM 823 O ILE A 78 -7.816 -4.473 0.163 1.00 0.00 O ATOM 824 CB ILE A 78 -6.241 -2.879 2.318 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.662 -1.783 1.418 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.523 -4.202 2.082 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.128 -0.596 2.186 1.00 0.00 C ATOM 0 H ILE A 78 -8.220 -4.966 2.696 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.224 -2.050 2.314 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.084 -2.602 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.860 -2.206 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.435 -1.443 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.455 -4.073 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.915 -4.956 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.685 -4.525 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.733 0.142 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.932 -0.149 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.333 -0.924 2.855 1.00 0.00 H new ATOM 839 N VAL A 79 -8.553 -2.375 -0.121 1.00 0.00 N ATOM 840 CA VAL A 79 -8.853 -2.573 -1.530 1.00 0.00 C ATOM 841 C VAL A 79 -8.316 -1.421 -2.373 1.00 0.00 C ATOM 842 O VAL A 79 -8.528 -0.249 -2.063 1.00 0.00 O ATOM 843 CB VAL A 79 -10.376 -2.756 -1.773 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.186 -1.844 -0.867 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.740 -2.523 -3.234 1.00 0.00 C ATOM 0 H VAL A 79 -8.768 -1.442 0.232 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.352 -3.491 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.623 -3.789 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.249 -1.992 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.968 -2.079 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.923 -0.805 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.813 -2.659 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.465 -1.508 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.203 -3.235 -3.861 1.00 0.00 H new ATOM 855 N PHE A 80 -7.590 -1.775 -3.425 1.00 0.00 N ATOM 856 CA PHE A 80 -7.026 -0.799 -4.344 1.00 0.00 C ATOM 857 C PHE A 80 -7.996 -0.577 -5.509 1.00 0.00 C ATOM 858 O PHE A 80 -8.056 -1.392 -6.432 1.00 0.00 O ATOM 859 CB PHE A 80 -5.675 -1.295 -4.869 1.00 0.00 C ATOM 860 CG PHE A 80 -4.507 -0.954 -3.984 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.295 -1.640 -2.798 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.620 0.048 -4.343 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.220 -1.333 -1.987 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.543 0.361 -3.533 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.342 -0.331 -2.354 1.00 0.00 C ATOM 0 H PHE A 80 -7.377 -2.743 -3.664 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.872 0.145 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.720 -2.377 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.504 -0.870 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.978 -2.423 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.771 0.590 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.066 -1.876 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.860 1.146 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.501 -0.089 -1.721 1.00 0.00 H new ATOM 875 N PRO A 81 -8.756 0.536 -5.496 1.00 0.00 N ATOM 876 CA PRO A 81 -9.747 0.833 -6.544 1.00 0.00 C ATOM 877 C PRO A 81 -9.130 1.098 -7.919 1.00 0.00 C ATOM 878 O PRO A 81 -9.823 1.058 -8.933 1.00 0.00 O ATOM 879 CB PRO A 81 -10.453 2.090 -6.025 1.00 0.00 C ATOM 880 CG PRO A 81 -9.481 2.722 -5.090 1.00 0.00 C ATOM 881 CD PRO A 81 -8.699 1.598 -4.474 1.00 0.00 C ATOM 0 HA PRO A 81 -10.408 -0.018 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.709 2.764 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.383 1.838 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.822 3.410 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.998 3.302 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.672 1.894 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.140 1.272 -3.532 1.00 0.00 H new ATOM 889 N ASP A 82 -7.829 1.363 -7.951 1.00 0.00 N ATOM 890 CA ASP A 82 -7.142 1.630 -9.211 1.00 0.00 C ATOM 891 C ASP A 82 -6.369 0.401 -9.715 1.00 0.00 C ATOM 892 O ASP A 82 -5.834 0.413 -10.822 1.00 0.00 O ATOM 893 CB ASP A 82 -6.198 2.822 -9.049 1.00 0.00 C ATOM 894 CG ASP A 82 -6.943 4.113 -8.769 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.688 4.574 -9.659 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.781 4.666 -7.657 1.00 0.00 O ATOM 0 H ASP A 82 -7.231 1.399 -7.125 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.899 1.867 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.502 2.623 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.604 2.938 -9.955 1.00 0.00 H new ATOM 901 N PHE A 83 -6.309 -0.654 -8.901 1.00 0.00 N ATOM 902 CA PHE A 83 -5.595 -1.875 -9.288 1.00 0.00 C ATOM 903 C PHE A 83 -6.518 -3.100 -9.295 1.00 0.00 C ATOM 904 O PHE A 83 -6.233 -4.093 -9.963 1.00 0.00 O ATOM 905 CB PHE A 83 -4.414 -2.117 -8.341 1.00 0.00 C ATOM 906 CG PHE A 83 -3.228 -1.245 -8.636 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.112 0.006 -8.051 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.232 -1.673 -9.498 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.026 0.813 -8.323 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.142 -0.869 -9.772 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.040 0.376 -9.183 1.00 0.00 C ATOM 0 H PHE A 83 -6.741 -0.690 -7.978 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.226 -1.732 -10.304 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.738 -1.943 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.113 -3.163 -8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.880 0.353 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.308 -2.646 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.948 1.787 -7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.371 -1.214 -10.446 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.189 1.007 -9.395 1.00 0.00 H new ATOM 921 N GLY A 84 -7.620 -3.026 -8.550 1.00 0.00 N ATOM 922 CA GLY A 84 -8.553 -4.141 -8.481 1.00 0.00 C ATOM 923 C GLY A 84 -8.101 -5.203 -7.494 1.00 0.00 C ATOM 924 O GLY A 84 -8.468 -6.373 -7.607 1.00 0.00 O ATOM 0 H GLY A 84 -7.884 -2.213 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.537 -3.772 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.658 -4.587 -9.470 1.00 0.00 H new ATOM 928 N VAL A 85 -7.309 -4.783 -6.513 1.00 0.00 N ATOM 929 CA VAL A 85 -6.775 -5.690 -5.503 1.00 0.00 C ATOM 930 C VAL A 85 -7.470 -5.503 -4.151 1.00 0.00 C ATOM 931 O VAL A 85 -7.407 -4.433 -3.554 1.00 0.00 O ATOM 932 CB VAL A 85 -5.253 -5.470 -5.336 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.717 -6.201 -4.116 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.513 -5.904 -6.591 1.00 0.00 C ATOM 0 H VAL A 85 -7.021 -3.812 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.963 -6.707 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.084 -4.404 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.645 -6.025 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.219 -5.833 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.902 -7.270 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.443 -5.743 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.700 -6.962 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.864 -5.319 -7.441 1.00 0.00 H new ATOM 944 N HIS A 86 -8.135 -6.554 -3.678 1.00 0.00 N ATOM 945 CA HIS A 86 -8.833 -6.511 -2.389 1.00 0.00 C ATOM 946 C HIS A 86 -8.289 -7.589 -1.445 1.00 0.00 C ATOM 947 O HIS A 86 -8.368 -8.784 -1.743 1.00 0.00 O ATOM 948 CB HIS A 86 -10.352 -6.685 -2.574 1.00 0.00 C ATOM 949 CG HIS A 86 -10.745 -7.669 -3.641 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.305 -8.976 -3.663 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.549 -7.528 -4.722 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.819 -9.596 -4.709 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.577 -8.740 -5.368 1.00 0.00 N ATOM 0 H HIS A 86 -8.207 -7.447 -4.165 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.653 -5.532 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.786 -7.004 -1.626 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.789 -5.716 -2.814 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.679 -9.398 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.071 -6.631 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.648 -10.628 -4.979 1.00 0.00 H new ATOM 961 N ALA A 87 -7.739 -7.164 -0.311 1.00 0.00 N ATOM 962 CA ALA A 87 -7.174 -8.098 0.663 1.00 0.00 C ATOM 963 C ALA A 87 -7.600 -7.760 2.093 1.00 0.00 C ATOM 964 O ALA A 87 -8.130 -6.682 2.362 1.00 0.00 O ATOM 965 CB ALA A 87 -5.655 -8.103 0.556 1.00 0.00 C ATOM 0 H ALA A 87 -7.672 -6.182 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.560 -9.091 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.241 -8.801 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.362 -8.410 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.273 -7.102 0.755 1.00 0.00 H new ATOM 971 N ASN A 88 -7.359 -8.694 3.009 1.00 0.00 N ATOM 972 CA ASN A 88 -7.706 -8.505 4.416 1.00 0.00 C ATOM 973 C ASN A 88 -6.446 -8.329 5.262 1.00 0.00 C ATOM 974 O ASN A 88 -5.452 -9.025 5.059 1.00 0.00 O ATOM 975 CB ASN A 88 -8.518 -9.698 4.929 1.00 0.00 C ATOM 976 CG ASN A 88 -9.943 -9.697 4.407 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.185 -9.913 3.223 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.897 -9.455 5.291 1.00 0.00 N ATOM 0 H ASN A 88 -6.923 -9.593 2.802 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.311 -7.602 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.026 -10.624 4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.533 -9.682 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.874 -9.443 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.656 -9.280 6.267 1.00 0.00 H new ATOM 985 N LEU A 89 -6.489 -7.400 6.212 1.00 0.00 N ATOM 986 CA LEU A 89 -5.336 -7.145 7.074 1.00 0.00 C ATOM 987 C LEU A 89 -5.507 -7.804 8.444 1.00 0.00 C ATOM 988 O LEU A 89 -6.535 -7.635 9.104 1.00 0.00 O ATOM 989 CB LEU A 89 -5.110 -5.639 7.241 1.00 0.00 C ATOM 990 CG LEU A 89 -5.002 -4.842 5.938 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.922 -3.352 6.227 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.793 -5.294 5.136 1.00 0.00 C ATOM 0 H LEU A 89 -7.302 -6.815 6.405 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.462 -7.584 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.930 -5.229 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.197 -5.488 7.816 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.898 -5.029 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.846 -2.803 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.819 -3.036 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.044 -3.147 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.732 -4.717 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.888 -5.137 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.891 -6.353 4.896 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.502 -8.580 8.883 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.531 -9.254 10.181 1.00 0.00 C ATOM 1006 C PRO A 90 -4.117 -8.329 11.329 1.00 0.00 C ATOM 1007 O PRO A 90 -3.067 -7.687 11.280 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.520 -10.385 10.000 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.541 -9.879 8.993 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.267 -8.874 8.134 1.00 0.00 C ATOM 0 HA PRO A 90 -5.531 -9.595 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.027 -10.626 10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.007 -11.296 9.652 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.685 -9.418 9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.155 -10.698 8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.670 -7.975 7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.488 -9.280 7.147 1.00 0.00 H new ATOM 1018 N MET A 91 -4.950 -8.265 12.365 1.00 0.00 N ATOM 1019 CA MET A 91 -4.677 -7.412 13.521 1.00 0.00 C ATOM 1020 C MET A 91 -3.446 -7.890 14.297 1.00 0.00 C ATOM 1021 O MET A 91 -3.371 -9.044 14.721 1.00 0.00 O ATOM 1022 CB MET A 91 -5.898 -7.366 14.443 1.00 0.00 C ATOM 1023 CG MET A 91 -5.685 -6.535 15.698 1.00 0.00 C ATOM 1024 SD MET A 91 -5.181 -4.842 15.338 1.00 0.00 S ATOM 1025 CE MET A 91 -4.301 -4.429 16.841 1.00 0.00 C ATOM 0 H MET A 91 -5.820 -8.793 12.428 1.00 0.00 H new ATOM 0 HA MET A 91 -4.467 -6.408 13.152 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.745 -6.961 13.889 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.163 -8.383 14.732 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.607 -6.519 16.278 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.926 -7.011 16.319 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.462 -3.378 17.080 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.669 -5.047 17.660 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.235 -4.610 16.700 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.484 -6.987 14.473 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.263 -7.317 15.192 1.00 0.00 C ATOM 1037 C GLY A 92 -0.213 -7.977 14.312 1.00 0.00 C ATOM 1038 O GLY A 92 0.801 -8.468 14.807 1.00 0.00 O ATOM 0 H GLY A 92 -2.528 -6.028 14.129 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.846 -6.408 15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.505 -7.983 16.021 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.454 -7.991 13.003 1.00 0.00 N ATOM 1043 CA GLU A 93 0.475 -8.603 12.055 1.00 0.00 C ATOM 1044 C GLU A 93 0.661 -7.728 10.814 1.00 0.00 C ATOM 1045 O GLU A 93 0.027 -6.678 10.678 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.022 -9.995 11.645 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.091 -10.989 12.798 1.00 0.00 C ATOM 1048 CD GLU A 93 1.249 -11.638 13.101 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.220 -11.382 12.354 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.327 -12.405 14.083 1.00 0.00 O ATOM 0 H GLU A 93 -1.286 -7.585 12.574 1.00 0.00 H new ATOM 0 HA GLU A 93 1.441 -8.699 12.551 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.012 -9.900 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.637 -10.393 10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.451 -10.478 13.691 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.819 -11.765 12.559 1.00 0.00 H new ATOM 1057 N GLU A 94 1.540 -8.160 9.914 1.00 0.00 N ATOM 1058 CA GLU A 94 1.813 -7.412 8.689 1.00 0.00 C ATOM 1059 C GLU A 94 1.333 -8.165 7.446 1.00 0.00 C ATOM 1060 O GLU A 94 1.537 -9.372 7.317 1.00 0.00 O ATOM 1061 CB GLU A 94 3.311 -7.125 8.561 1.00 0.00 C ATOM 1062 CG GLU A 94 3.801 -6.006 9.467 1.00 0.00 C ATOM 1063 CD GLU A 94 5.291 -6.083 9.741 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.080 -5.693 8.853 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.669 -6.534 10.842 1.00 0.00 O ATOM 0 H GLU A 94 2.075 -9.023 10.009 1.00 0.00 H new ATOM 0 HA GLU A 94 1.263 -6.473 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.867 -8.035 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.535 -6.866 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.570 -5.045 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.260 -6.046 10.412 1.00 0.00 H new ATOM 1072 N TYR A 95 0.697 -7.437 6.535 1.00 0.00 N ATOM 1073 CA TYR A 95 0.201 -8.015 5.287 1.00 0.00 C ATOM 1074 C TYR A 95 0.774 -7.253 4.093 1.00 0.00 C ATOM 1075 O TYR A 95 0.653 -6.032 4.013 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.329 -7.981 5.249 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.936 -9.031 4.344 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.122 -10.334 4.789 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.321 -8.719 3.046 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.675 -11.296 3.965 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.874 -9.676 2.218 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.049 -10.962 2.681 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.600 -11.918 1.857 1.00 0.00 O ATOM 0 H TYR A 95 0.511 -6.439 6.637 1.00 0.00 H new ATOM 0 HA TYR A 95 0.525 -9.054 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.712 -8.119 6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.654 -6.995 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.830 -10.599 5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.186 -7.712 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.813 -12.305 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.168 -9.417 1.212 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.809 -11.519 0.987 1.00 0.00 H new ATOM 1093 N VAL A 96 1.397 -7.973 3.167 1.00 0.00 N ATOM 1094 CA VAL A 96 2.001 -7.332 2.002 1.00 0.00 C ATOM 1095 C VAL A 96 1.150 -7.497 0.732 1.00 0.00 C ATOM 1096 O VAL A 96 0.576 -8.556 0.473 1.00 0.00 O ATOM 1097 CB VAL A 96 3.443 -7.854 1.760 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.456 -9.161 0.976 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.280 -6.799 1.056 1.00 0.00 C ATOM 0 H VAL A 96 1.497 -8.988 3.197 1.00 0.00 H new ATOM 0 HA VAL A 96 2.047 -6.266 2.224 1.00 0.00 H new ATOM 0 HB VAL A 96 3.882 -8.059 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.486 -9.488 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.908 -9.923 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.984 -9.008 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.288 -7.182 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.826 -6.556 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.328 -5.901 1.672 1.00 0.00 H new ATOM 1109 N VAL A 97 1.053 -6.413 -0.033 1.00 0.00 N ATOM 1110 CA VAL A 97 0.304 -6.408 -1.287 1.00 0.00 C ATOM 1111 C VAL A 97 1.248 -6.168 -2.464 1.00 0.00 C ATOM 1112 O VAL A 97 1.818 -5.085 -2.604 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.804 -5.326 -1.283 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.440 -5.180 -2.662 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.861 -5.656 -0.244 1.00 0.00 C ATOM 0 H VAL A 97 1.488 -5.519 0.196 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.171 -7.383 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.342 -4.373 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.214 -4.413 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.677 -4.893 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.884 -6.130 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.633 -4.886 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.309 -6.622 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.401 -5.696 0.743 1.00 0.00 H new ATOM 1125 N GLU A 98 1.417 -7.185 -3.300 1.00 0.00 N ATOM 1126 CA GLU A 98 2.306 -7.086 -4.456 1.00 0.00 C ATOM 1127 C GLU A 98 1.546 -6.666 -5.716 1.00 0.00 C ATOM 1128 O GLU A 98 0.636 -7.362 -6.168 1.00 0.00 O ATOM 1129 CB GLU A 98 3.022 -8.417 -4.693 1.00 0.00 C ATOM 1130 CG GLU A 98 4.378 -8.502 -4.008 1.00 0.00 C ATOM 1131 CD GLU A 98 4.807 -9.927 -3.707 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.148 -10.867 -4.200 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.807 -10.099 -2.976 1.00 0.00 O ATOM 0 H GLU A 98 0.952 -8.087 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 98 3.046 -6.316 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.390 -9.230 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.154 -8.564 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.128 -8.030 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.344 -7.935 -3.078 1.00 0.00 H new ATOM 1140 N ILE A 99 1.931 -5.522 -6.274 1.00 0.00 N ATOM 1141 CA ILE A 99 1.295 -4.995 -7.482 1.00 0.00 C ATOM 1142 C ILE A 99 2.339 -4.500 -8.481 1.00 0.00 C ATOM 1143 O ILE A 99 3.464 -4.163 -8.110 1.00 0.00 O ATOM 1144 CB ILE A 99 0.315 -3.842 -7.161 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.745 -3.099 -5.891 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.101 -4.378 -7.015 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.016 -1.812 -5.653 1.00 0.00 C ATOM 0 H ILE A 99 2.683 -4.938 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 99 0.732 -5.818 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 99 0.335 -3.134 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.608 -3.756 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.810 -2.875 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.780 -3.556 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.407 -4.856 -7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.132 -5.107 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.342 -1.342 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.141 -1.136 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.080 -2.031 -5.557 1.00 0.00 H new ATOM 1159 N THR A 100 1.961 -4.460 -9.753 1.00 0.00 N ATOM 1160 CA THR A 100 2.868 -4.009 -10.805 1.00 0.00 C ATOM 1161 C THR A 100 2.310 -2.789 -11.540 1.00 0.00 C ATOM 1162 O THR A 100 1.477 -2.922 -12.437 1.00 0.00 O ATOM 1163 CB THR A 100 3.143 -5.127 -11.830 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.309 -6.383 -11.159 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.389 -4.820 -12.651 1.00 0.00 C ATOM 0 H THR A 100 1.035 -4.733 -10.082 1.00 0.00 H new ATOM 0 HA THR A 100 3.802 -3.735 -10.313 1.00 0.00 H new ATOM 0 HB THR A 100 2.287 -5.184 -12.503 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.481 -7.086 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.561 -5.624 -13.366 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.249 -3.881 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.250 -4.735 -11.988 1.00 0.00 H new ATOM 1173 N PRO A 101 2.767 -1.579 -11.165 1.00 0.00 N ATOM 1174 CA PRO A 101 2.317 -0.331 -11.794 1.00 0.00 C ATOM 1175 C PRO A 101 2.866 -0.157 -13.213 1.00 0.00 C ATOM 1176 O PRO A 101 4.008 0.261 -13.406 1.00 0.00 O ATOM 1177 CB PRO A 101 2.873 0.749 -10.864 1.00 0.00 C ATOM 1178 CG PRO A 101 4.077 0.126 -10.248 1.00 0.00 C ATOM 1179 CD PRO A 101 3.752 -1.333 -10.093 1.00 0.00 C ATOM 0 HA PRO A 101 1.234 -0.299 -11.910 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.132 1.653 -11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.143 1.035 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.955 0.266 -10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.302 0.581 -9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.638 -1.957 -10.210 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.337 -1.550 -9.109 1.00 0.00 H new ATOM 1187 N GLU A 102 2.048 -0.481 -14.208 1.00 0.00 N ATOM 1188 CA GLU A 102 2.459 -0.363 -15.607 1.00 0.00 C ATOM 1189 C GLU A 102 1.959 0.943 -16.231 1.00 0.00 C ATOM 1190 O GLU A 102 1.822 1.054 -17.451 1.00 0.00 O ATOM 1191 CB GLU A 102 1.947 -1.561 -16.409 1.00 0.00 C ATOM 1192 CG GLU A 102 2.537 -2.892 -15.965 1.00 0.00 C ATOM 1193 CD GLU A 102 1.477 -3.951 -15.707 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.275 -3.635 -15.832 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.853 -5.098 -15.379 1.00 0.00 O ATOM 0 H GLU A 102 1.098 -0.827 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 102 3.549 -0.350 -15.635 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.861 -1.608 -16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.176 -1.406 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.225 -3.252 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.121 -2.740 -15.057 1.00 0.00 H new ATOM 1202 N GLN A 103 1.683 1.929 -15.382 1.00 0.00 N ATOM 1203 CA GLN A 103 1.205 3.232 -15.837 1.00 0.00 C ATOM 1204 C GLN A 103 1.653 4.331 -14.875 1.00 0.00 C ATOM 1205 O GLN A 103 1.503 4.204 -13.662 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.322 3.230 -15.954 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.826 3.525 -17.359 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.580 2.358 -17.968 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.793 2.408 -18.141 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.863 1.295 -18.300 1.00 0.00 N ATOM 0 H GLN A 103 1.783 1.850 -14.370 1.00 0.00 H new ATOM 0 HA GLN A 103 1.633 3.430 -16.820 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.701 2.258 -15.638 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.732 3.971 -15.267 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.478 4.398 -17.331 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.020 3.779 -17.998 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.145 1.290 -18.141 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.318 0.482 -18.715 1.00 0.00 H new ATOM 1219 N ALA A 104 2.207 5.407 -15.423 1.00 0.00 N ATOM 1220 CA ALA A 104 2.674 6.522 -14.606 1.00 0.00 C ATOM 1221 C ALA A 104 1.560 7.536 -14.358 1.00 0.00 C ATOM 1222 O ALA A 104 0.918 8.013 -15.293 1.00 0.00 O ATOM 1223 CB ALA A 104 3.870 7.193 -15.264 1.00 0.00 C ATOM 0 H ALA A 104 2.344 5.531 -16.426 1.00 0.00 H new ATOM 0 HA ALA A 104 2.981 6.124 -13.639 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.208 8.023 -14.644 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.678 6.470 -15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.582 7.568 -16.246 1.00 0.00 H new ATOM 1229 N GLY A 105 1.338 7.858 -13.090 1.00 0.00 N ATOM 1230 CA GLY A 105 0.301 8.809 -12.734 1.00 0.00 C ATOM 1231 C GLY A 105 -0.054 8.766 -11.258 1.00 0.00 C ATOM 1232 O GLY A 105 0.747 8.320 -10.431 1.00 0.00 O ATOM 0 H GLY A 105 1.858 7.477 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.631 9.815 -12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.592 8.604 -13.324 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.257 9.227 -10.931 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.722 9.247 -9.547 1.00 0.00 C ATOM 1238 C GLU A 106 -2.694 8.099 -9.264 1.00 0.00 C ATOM 1239 O GLU A 106 -3.689 7.919 -9.966 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.393 10.586 -9.234 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.579 11.471 -8.301 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.181 12.854 -8.135 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.960 13.707 -9.019 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.872 13.083 -7.117 1.00 0.00 O ATOM 0 H GLU A 106 -1.929 9.592 -11.606 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.852 9.119 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.570 11.121 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.368 10.398 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.505 10.992 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.564 11.565 -8.688 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.388 7.329 -8.228 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.215 6.197 -7.820 1.00 0.00 C ATOM 1253 C PHE A 107 -3.723 6.411 -6.390 1.00 0.00 C ATOM 1254 O PHE A 107 -3.294 7.345 -5.711 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.411 4.895 -7.923 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.104 4.489 -9.338 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.991 4.992 -9.991 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.933 3.613 -10.014 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.710 4.624 -11.293 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.657 3.240 -11.316 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.546 3.749 -11.957 1.00 0.00 C ATOM 0 H PHE A 107 -1.562 7.470 -7.647 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.076 6.122 -8.485 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.475 5.011 -7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.968 4.094 -7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.336 5.679 -9.477 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.807 3.215 -9.519 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.163 5.021 -11.791 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.310 2.551 -11.831 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.331 3.463 -12.976 1.00 0.00 H new ATOM 1271 N SER A 108 -4.624 5.550 -5.923 1.00 0.00 N ATOM 1272 CA SER A 108 -5.175 5.701 -4.576 1.00 0.00 C ATOM 1273 C SER A 108 -5.649 4.372 -3.988 1.00 0.00 C ATOM 1274 O SER A 108 -5.890 3.404 -4.713 1.00 0.00 O ATOM 1275 CB SER A 108 -6.345 6.688 -4.600 1.00 0.00 C ATOM 1276 OG SER A 108 -7.448 6.158 -5.321 1.00 0.00 O ATOM 0 H SER A 108 -4.984 4.752 -6.446 1.00 0.00 H new ATOM 0 HA SER A 108 -4.373 6.078 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.651 6.919 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.025 7.625 -5.056 1.00 0.00 H new ATOM 0 HG SER A 108 -7.122 5.679 -6.112 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.766 4.341 -2.661 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.231 3.153 -1.943 1.00 0.00 C ATOM 1284 C PHE A 109 -6.949 3.539 -0.644 1.00 0.00 C ATOM 1285 O PHE A 109 -6.450 4.349 0.138 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.069 2.189 -1.647 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.900 2.803 -0.919 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.917 3.492 -1.611 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.778 2.674 0.457 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.840 4.046 -0.946 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.701 3.223 1.126 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.731 3.910 0.423 1.00 0.00 C ATOM 0 H PHE A 109 -5.543 5.132 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.943 2.639 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.449 1.357 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.713 1.773 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.994 3.597 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.534 2.138 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.084 4.585 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.618 3.115 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.888 4.340 0.944 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.134 2.965 -0.431 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.927 3.250 0.768 1.00 0.00 C ATOM 1304 C ALA A 110 -10.002 2.185 0.989 1.00 0.00 C ATOM 1305 O ALA A 110 -10.264 1.364 0.112 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.568 4.627 0.665 1.00 0.00 C ATOM 0 H ALA A 110 -8.567 2.300 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.253 3.234 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.154 4.824 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.790 5.384 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.220 4.660 -0.208 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.794 7.721 -0.918 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.493 8.087 -2.300 1.00 0.00 C ATOM 1421 C LYS A 119 -1.163 7.481 -2.757 1.00 0.00 C ATOM 1422 O LYS A 119 -0.250 7.277 -1.957 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.453 9.609 -2.442 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.754 10.106 -3.849 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.164 11.487 -4.094 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.078 12.587 -3.574 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.974 13.118 -4.640 1.00 0.00 N ATOM 0 HA LYS A 119 -3.283 7.687 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.173 10.047 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.467 9.966 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.351 9.403 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.833 10.139 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.192 11.560 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.996 11.627 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.681 12.199 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.474 13.399 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.507 13.932 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.403 13.418 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.638 12.375 -4.937 1.00 0.00 H new ATOM 1441 N MET A 120 -1.064 7.189 -4.048 1.00 0.00 N ATOM 1442 CA MET A 120 0.153 6.612 -4.614 1.00 0.00 C ATOM 1443 C MET A 120 0.563 7.344 -5.894 1.00 0.00 C ATOM 1444 O MET A 120 -0.283 7.718 -6.701 1.00 0.00 O ATOM 1445 CB MET A 120 -0.056 5.123 -4.902 1.00 0.00 C ATOM 1446 CG MET A 120 1.163 4.434 -5.496 1.00 0.00 C ATOM 1447 SD MET A 120 0.746 3.355 -6.877 1.00 0.00 S ATOM 1448 CE MET A 120 0.343 1.843 -6.012 1.00 0.00 C ATOM 0 H MET A 120 -1.812 7.342 -4.725 1.00 0.00 H new ATOM 0 HA MET A 120 0.956 6.726 -3.885 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.331 4.619 -3.976 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.896 5.010 -5.588 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.875 5.189 -5.831 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.659 3.850 -4.721 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.725 0.990 -6.573 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.797 1.858 -5.021 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.739 1.757 -5.914 1.00 0.00 H new ATOM 1458 N ILE A 121 1.861 7.556 -6.073 1.00 0.00 N ATOM 1459 CA ILE A 121 2.363 8.236 -7.265 1.00 0.00 C ATOM 1460 C ILE A 121 3.409 7.380 -7.981 1.00 0.00 C ATOM 1461 O ILE A 121 4.447 7.036 -7.412 1.00 0.00 O ATOM 1462 CB ILE A 121 2.965 9.622 -6.928 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.885 10.555 -6.374 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.607 10.244 -8.163 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.902 10.677 -4.867 1.00 0.00 C ATOM 0 H ILE A 121 2.584 7.269 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 121 1.510 8.388 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 121 3.734 9.482 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.013 11.545 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.907 10.192 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.024 11.217 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.402 9.593 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.854 10.367 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.109 11.354 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.743 9.695 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.866 11.070 -4.545 1.00 0.00 H new ATOM 1477 N VAL A 122 3.125 7.034 -9.232 1.00 0.00 N ATOM 1478 CA VAL A 122 4.035 6.215 -10.026 1.00 0.00 C ATOM 1479 C VAL A 122 4.827 7.074 -11.017 1.00 0.00 C ATOM 1480 O VAL A 122 4.247 7.812 -11.815 1.00 0.00 O ATOM 1481 CB VAL A 122 3.269 5.113 -10.789 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.212 4.284 -11.648 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.515 4.220 -9.813 1.00 0.00 C ATOM 0 H VAL A 122 2.271 7.308 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 122 4.733 5.742 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 122 2.550 5.597 -11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.645 3.516 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.706 4.930 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.961 3.811 -11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.980 3.448 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.222 3.752 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.803 4.820 -9.246 1.00 0.00 H new ATOM 1493 N GLU A 123 6.158 6.974 -10.948 1.00 0.00 N ATOM 1494 CA GLU A 123 7.057 7.736 -11.827 1.00 0.00 C ATOM 1495 C GLU A 123 6.737 9.235 -11.811 1.00 0.00 C ATOM 1496 O GLU A 123 7.630 10.031 -12.177 1.00 0.00 O ATOM 1497 CB GLU A 123 6.985 7.202 -13.262 1.00 0.00 C ATOM 1498 CG GLU A 123 8.327 6.746 -13.815 1.00 0.00 C ATOM 1499 CD GLU A 123 8.447 6.960 -15.312 1.00 0.00 C ATOM 1500 OE1 GLU A 123 7.911 6.127 -16.078 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.071 7.960 -15.721 1.00 0.00 O ATOM 0 H GLU A 123 6.642 6.367 -10.286 1.00 0.00 H new ATOM 0 HA GLU A 123 8.069 7.606 -11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.286 6.366 -13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.581 7.980 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.127 7.288 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.467 5.689 -13.591 1.00 0.00 H new