USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 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 34 GLN : amide:sc= 1.1 K(o=2.3,f=-8!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.134 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 140:sc= 2.39 (180deg=-0.251) USER MOD Single : A 30 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.145 USER MOD Single : A 50 THR OG1 : rot 72:sc= -0.312 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.15) USER MOD Single : A 59 SER OG : rot -41:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ -111:sc= 1.21 (180deg=-0.345) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.4!) USER MOD Single : A 86 HIS : no HE2:sc= 0.556 K(o=0.56,f=-3.1!) USER MOD Single : A 88 ASN : amide:sc= 0.143 K(o=0.14,f=-1.5!) USER MOD Single : A 91 MET CE :methyl -141:sc=-0.00388 (180deg=-1.29) 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= 0.152 X(o=0.15,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -146:sc= 1.28 (180deg=1.17) USER MOD Single : A 120 MET CE :methyl -164:sc= -0.492 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.970 9.908 1.086 1.00 0.00 N ATOM 42 CA GLN A 30 6.987 8.926 1.460 1.00 0.00 C ATOM 43 C GLN A 30 7.466 8.127 0.248 1.00 0.00 C ATOM 44 O GLN A 30 6.667 7.563 -0.501 1.00 0.00 O ATOM 45 CB GLN A 30 6.437 7.975 2.525 1.00 0.00 C ATOM 46 CG GLN A 30 6.993 8.225 3.920 1.00 0.00 C ATOM 47 CD GLN A 30 6.244 9.315 4.667 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.047 9.510 4.476 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.950 10.034 5.525 1.00 0.00 N ATOM 0 HA GLN A 30 7.840 9.470 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.351 8.067 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.662 6.949 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.948 7.300 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.045 8.501 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.943 9.841 5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.501 10.781 6.055 1.00 0.00 H new ATOM 58 N LYS A 31 8.779 8.077 0.062 1.00 0.00 N ATOM 59 CA LYS A 31 9.371 7.341 -1.048 1.00 0.00 C ATOM 60 C LYS A 31 9.665 5.900 -0.645 1.00 0.00 C ATOM 61 O LYS A 31 10.280 5.647 0.391 1.00 0.00 O ATOM 62 CB LYS A 31 10.654 8.025 -1.516 1.00 0.00 C ATOM 63 CG LYS A 31 10.614 8.437 -2.977 1.00 0.00 C ATOM 64 CD LYS A 31 11.800 9.312 -3.344 1.00 0.00 C ATOM 65 CE LYS A 31 13.053 8.480 -3.544 1.00 0.00 C ATOM 66 NZ LYS A 31 14.278 9.324 -3.608 1.00 0.00 N ATOM 0 H LYS A 31 9.457 8.539 0.668 1.00 0.00 H new ATOM 0 HA LYS A 31 8.655 7.332 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.833 8.907 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.496 7.351 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.609 7.547 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.688 8.975 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.578 9.866 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.970 10.048 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.148 7.765 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.962 7.903 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.111 8.717 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.200 9.990 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.380 9.856 -2.720 1.00 0.00 H new ATOM 80 N ALA A 32 9.213 4.958 -1.465 1.00 0.00 N ATOM 81 CA ALA A 32 9.430 3.541 -1.194 1.00 0.00 C ATOM 82 C ALA A 32 10.885 3.149 -1.445 1.00 0.00 C ATOM 83 O ALA A 32 11.579 3.773 -2.251 1.00 0.00 O ATOM 84 CB ALA A 32 8.497 2.695 -2.045 1.00 0.00 C ATOM 0 H ALA A 32 8.694 5.149 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 32 9.210 3.358 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.669 1.640 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.463 2.948 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.690 2.890 -3.100 1.00 0.00 H new ATOM 90 N GLN A 33 11.346 2.109 -0.759 1.00 0.00 N ATOM 91 CA GLN A 33 12.724 1.656 -0.912 1.00 0.00 C ATOM 92 C GLN A 33 12.872 0.715 -2.107 1.00 0.00 C ATOM 93 O GLN A 33 12.014 -0.137 -2.359 1.00 0.00 O ATOM 94 CB GLN A 33 13.220 0.986 0.376 1.00 0.00 C ATOM 95 CG GLN A 33 12.578 -0.363 0.676 1.00 0.00 C ATOM 96 CD GLN A 33 13.128 -1.017 1.933 1.00 0.00 C ATOM 97 OE1 GLN A 33 12.956 -2.213 2.148 1.00 0.00 O ATOM 98 NE2 GLN A 33 13.792 -0.240 2.774 1.00 0.00 N ATOM 0 H GLN A 33 10.791 1.567 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 33 13.344 2.532 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.300 0.853 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.033 1.657 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.501 -0.231 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.734 -1.030 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.916 0.750 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.180 -0.632 3.632 1.00 0.00 H new ATOM 107 N GLN A 34 13.961 0.882 -2.847 1.00 0.00 N ATOM 108 CA GLN A 34 14.230 0.055 -4.018 1.00 0.00 C ATOM 109 C GLN A 34 15.132 -1.125 -3.653 1.00 0.00 C ATOM 110 O GLN A 34 16.285 -0.944 -3.264 1.00 0.00 O ATOM 111 CB GLN A 34 14.880 0.893 -5.122 1.00 0.00 C ATOM 112 CG GLN A 34 13.998 2.026 -5.626 1.00 0.00 C ATOM 113 CD GLN A 34 14.743 2.996 -6.522 1.00 0.00 C ATOM 114 OE1 GLN A 34 14.935 2.743 -7.710 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.167 4.117 -5.960 1.00 0.00 N ATOM 0 H GLN A 34 14.675 1.585 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 34 13.281 -0.337 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.815 1.310 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.134 0.242 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.154 1.607 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.588 2.568 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.988 4.291 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.672 4.807 -6.516 1.00 0.00 H new ATOM 124 N LYS A 35 14.589 -2.331 -3.777 1.00 0.00 N ATOM 125 CA LYS A 35 15.334 -3.548 -3.463 1.00 0.00 C ATOM 126 C LYS A 35 15.978 -4.146 -4.721 1.00 0.00 C ATOM 127 O LYS A 35 16.296 -3.429 -5.673 1.00 0.00 O ATOM 128 CB LYS A 35 14.406 -4.576 -2.804 1.00 0.00 C ATOM 129 CG LYS A 35 13.547 -4.002 -1.685 1.00 0.00 C ATOM 130 CD LYS A 35 14.110 -4.347 -0.314 1.00 0.00 C ATOM 131 CE LYS A 35 13.210 -5.318 0.437 1.00 0.00 C ATOM 132 NZ LYS A 35 12.963 -4.875 1.837 1.00 0.00 N ATOM 0 H LYS A 35 13.633 -2.494 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 35 16.132 -3.287 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.755 -5.004 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.009 -5.392 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.485 -2.919 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.532 -4.389 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.102 -4.784 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.229 -3.435 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.259 -5.412 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.669 -6.307 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.970 -5.056 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.585 -5.402 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.161 -3.857 1.919 1.00 0.00 H new ATOM 146 N ASN A 36 16.155 -5.466 -4.728 1.00 0.00 N ATOM 147 CA ASN A 36 16.776 -6.154 -5.862 1.00 0.00 C ATOM 148 C ASN A 36 15.774 -6.441 -6.987 1.00 0.00 C ATOM 149 O ASN A 36 15.364 -7.584 -7.190 1.00 0.00 O ATOM 150 CB ASN A 36 17.417 -7.461 -5.390 1.00 0.00 C ATOM 151 CG ASN A 36 18.862 -7.279 -4.968 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.148 -6.705 -3.923 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.783 -7.768 -5.782 1.00 0.00 N ATOM 0 H ASN A 36 15.878 -6.081 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 36 17.540 -5.491 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.845 -7.861 -4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.366 -8.197 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.772 -7.674 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.505 -8.239 -6.643 1.00 0.00 H new ATOM 160 N GLY A 37 15.382 -5.398 -7.717 1.00 0.00 N ATOM 161 CA GLY A 37 14.450 -5.570 -8.826 1.00 0.00 C ATOM 162 C GLY A 37 13.002 -5.258 -8.474 1.00 0.00 C ATOM 163 O GLY A 37 12.135 -5.280 -9.343 1.00 0.00 O ATOM 0 H GLY A 37 15.691 -4.438 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.759 -4.927 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.513 -6.598 -9.183 1.00 0.00 H new ATOM 167 N TYR A 38 12.741 -4.968 -7.204 1.00 0.00 N ATOM 168 CA TYR A 38 11.386 -4.655 -6.748 1.00 0.00 C ATOM 169 C TYR A 38 11.410 -3.575 -5.667 1.00 0.00 C ATOM 170 O TYR A 38 12.451 -3.307 -5.076 1.00 0.00 O ATOM 171 CB TYR A 38 10.687 -5.922 -6.227 1.00 0.00 C ATOM 172 CG TYR A 38 11.384 -6.597 -5.062 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.502 -7.397 -5.261 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.913 -6.443 -3.765 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.134 -8.020 -4.202 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.538 -7.063 -2.700 1.00 0.00 C ATOM 177 CZ TYR A 38 12.648 -7.850 -2.923 1.00 0.00 C ATOM 178 OH TYR A 38 13.273 -8.469 -1.865 1.00 0.00 O ATOM 0 H TYR A 38 13.448 -4.942 -6.470 1.00 0.00 H new ATOM 0 HA TYR A 38 10.822 -4.272 -7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.672 -5.662 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.603 -6.637 -7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.884 -7.535 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.043 -5.828 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 38 14.004 -8.637 -4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.159 -6.932 -1.697 1.00 0.00 H new ATOM 0 HH TYR A 38 12.806 -8.245 -1.033 1.00 0.00 H new ATOM 188 N GLN A 39 10.267 -2.944 -5.418 1.00 0.00 N ATOM 189 CA GLN A 39 10.187 -1.893 -4.399 1.00 0.00 C ATOM 190 C GLN A 39 9.330 -2.328 -3.214 1.00 0.00 C ATOM 191 O GLN A 39 8.431 -3.160 -3.352 1.00 0.00 O ATOM 192 CB GLN A 39 9.631 -0.589 -4.982 1.00 0.00 C ATOM 193 CG GLN A 39 9.607 -0.537 -6.500 1.00 0.00 C ATOM 194 CD GLN A 39 10.338 0.671 -7.054 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.805 1.777 -7.075 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.561 0.466 -7.511 1.00 0.00 N ATOM 0 H GLN A 39 9.389 -3.136 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 39 11.204 -1.716 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.617 -0.443 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.229 0.244 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.060 -1.445 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.572 -0.520 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.969 -0.468 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.097 1.242 -7.899 1.00 0.00 H new ATOM 205 N GLU A 40 9.610 -1.753 -2.048 1.00 0.00 N ATOM 206 CA GLU A 40 8.867 -2.079 -0.833 1.00 0.00 C ATOM 207 C GLU A 40 8.642 -0.841 0.038 1.00 0.00 C ATOM 208 O GLU A 40 9.505 0.033 0.134 1.00 0.00 O ATOM 209 CB GLU A 40 9.617 -3.148 -0.030 1.00 0.00 C ATOM 210 CG GLU A 40 8.787 -3.781 1.078 1.00 0.00 C ATOM 211 CD GLU A 40 9.549 -3.908 2.385 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.338 -4.871 2.524 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.359 -3.046 3.267 1.00 0.00 O ATOM 0 H GLU A 40 10.346 -1.059 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 40 7.892 -2.463 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.954 -3.930 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.509 -2.700 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.891 -3.182 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.456 -4.769 0.758 1.00 0.00 H new ATOM 220 N ILE A 41 7.474 -0.769 0.662 1.00 0.00 N ATOM 221 CA ILE A 41 7.135 0.350 1.539 1.00 0.00 C ATOM 222 C ILE A 41 6.287 -0.122 2.725 1.00 0.00 C ATOM 223 O ILE A 41 5.291 -0.825 2.552 1.00 0.00 O ATOM 224 CB ILE A 41 6.387 1.479 0.779 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.816 2.510 1.759 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.273 0.907 -0.084 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.483 3.868 1.681 1.00 0.00 C ATOM 0 H ILE A 41 6.741 -1.474 0.578 1.00 0.00 H new ATOM 0 HA ILE A 41 8.076 0.756 1.909 1.00 0.00 H new ATOM 0 HB ILE A 41 7.108 1.977 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.750 2.628 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.915 2.125 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.764 1.718 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.696 0.215 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.559 0.378 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.023 4.541 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.545 3.765 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.361 4.276 0.678 1.00 0.00 H new ATOM 239 N ARG A 42 6.704 0.250 3.931 1.00 0.00 N ATOM 240 CA ARG A 42 5.979 -0.129 5.138 1.00 0.00 C ATOM 241 C ARG A 42 4.937 0.928 5.504 1.00 0.00 C ATOM 242 O ARG A 42 5.272 2.037 5.925 1.00 0.00 O ATOM 243 CB ARG A 42 6.945 -0.349 6.302 1.00 0.00 C ATOM 244 CG ARG A 42 6.695 -1.646 7.054 1.00 0.00 C ATOM 245 CD ARG A 42 7.639 -1.800 8.236 1.00 0.00 C ATOM 246 NE ARG A 42 7.002 -2.485 9.359 1.00 0.00 N ATOM 247 CZ ARG A 42 6.287 -1.873 10.290 1.00 0.00 C ATOM 248 NH1 ARG A 42 6.117 -0.573 10.253 1.00 0.00 N ATOM 249 NH2 ARG A 42 5.742 -2.565 11.259 1.00 0.00 N ATOM 0 H ARG A 42 7.538 0.812 4.098 1.00 0.00 H new ATOM 0 HA ARG A 42 5.460 -1.066 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.967 -0.349 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.863 0.487 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.664 -1.670 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.820 -2.490 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.522 -2.358 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.981 -0.816 8.558 1.00 0.00 H new ATOM 0 HE ARG A 42 7.115 -3.496 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.537 -0.025 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.564 -0.110 10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.868 -3.576 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.191 -2.093 11.976 1.00 0.00 H new ATOM 263 N VAL A 43 3.672 0.566 5.342 1.00 0.00 N ATOM 264 CA VAL A 43 2.561 1.461 5.640 1.00 0.00 C ATOM 265 C VAL A 43 1.921 1.103 6.982 1.00 0.00 C ATOM 266 O VAL A 43 1.192 0.114 7.095 1.00 0.00 O ATOM 267 CB VAL A 43 1.499 1.408 4.517 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.381 2.409 4.763 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.148 1.668 3.170 1.00 0.00 C ATOM 0 H VAL A 43 3.387 -0.352 5.002 1.00 0.00 H new ATOM 0 HA VAL A 43 2.955 2.475 5.701 1.00 0.00 H new ATOM 0 HB VAL A 43 1.061 0.410 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.348 2.346 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.107 2.184 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.796 3.416 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.390 1.628 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.613 2.654 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.907 0.909 2.979 1.00 0.00 H new ATOM 279 N GLU A 44 2.216 1.904 8.001 1.00 0.00 N ATOM 280 CA GLU A 44 1.668 1.670 9.337 1.00 0.00 C ATOM 281 C GLU A 44 0.198 2.085 9.396 1.00 0.00 C ATOM 282 O GLU A 44 -0.143 3.257 9.205 1.00 0.00 O ATOM 283 CB GLU A 44 2.480 2.420 10.397 1.00 0.00 C ATOM 284 CG GLU A 44 2.218 1.938 11.818 1.00 0.00 C ATOM 285 CD GLU A 44 3.443 1.327 12.477 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.381 0.929 11.749 1.00 0.00 O ATOM 287 OE2 GLU A 44 3.463 1.240 13.726 1.00 0.00 O ATOM 0 H GLU A 44 2.828 2.717 7.931 1.00 0.00 H new ATOM 0 HA GLU A 44 1.734 0.603 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.541 2.310 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.249 3.483 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.869 2.776 12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.415 1.201 11.803 1.00 0.00 H new ATOM 294 N VAL A 45 -0.661 1.109 9.673 1.00 0.00 N ATOM 295 CA VAL A 45 -2.100 1.326 9.738 1.00 0.00 C ATOM 296 C VAL A 45 -2.575 1.542 11.180 1.00 0.00 C ATOM 297 O VAL A 45 -2.761 0.591 11.945 1.00 0.00 O ATOM 298 CB VAL A 45 -2.847 0.129 9.102 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.341 0.197 9.355 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.570 0.068 7.608 1.00 0.00 C ATOM 0 H VAL A 45 -0.378 0.147 9.858 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.327 2.232 9.176 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.473 -0.779 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.828 -0.661 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.529 0.185 10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.741 1.116 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.102 -0.779 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.910 0.990 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.500 -0.051 7.441 1.00 0.00 H new ATOM 310 N MET A 46 -2.747 2.805 11.545 1.00 0.00 N ATOM 311 CA MET A 46 -3.215 3.168 12.884 1.00 0.00 C ATOM 312 C MET A 46 -4.158 4.370 12.818 1.00 0.00 C ATOM 313 O MET A 46 -3.728 5.521 12.881 1.00 0.00 O ATOM 314 CB MET A 46 -2.032 3.465 13.813 1.00 0.00 C ATOM 315 CG MET A 46 -0.922 4.272 13.159 1.00 0.00 C ATOM 316 SD MET A 46 0.630 4.186 14.074 1.00 0.00 S ATOM 317 CE MET A 46 0.306 5.348 15.398 1.00 0.00 C ATOM 0 H MET A 46 -2.570 3.601 10.933 1.00 0.00 H new ATOM 0 HA MET A 46 -3.765 2.320 13.292 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.396 4.007 14.686 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.619 2.522 14.172 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.762 3.907 12.144 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.234 5.313 13.078 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.176 5.406 16.052 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.102 6.332 14.976 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.558 5.013 15.972 1.00 0.00 H new ATOM 327 N GLY A 47 -5.451 4.092 12.684 1.00 0.00 N ATOM 328 CA GLY A 47 -6.440 5.159 12.584 1.00 0.00 C ATOM 329 C GLY A 47 -6.529 5.712 11.170 1.00 0.00 C ATOM 330 O GLY A 47 -7.303 6.625 10.891 1.00 0.00 O ATOM 0 H GLY A 47 -5.835 3.148 12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.416 4.781 12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.180 5.962 13.273 1.00 0.00 H new ATOM 334 N GLY A 48 -5.724 5.136 10.283 1.00 0.00 N ATOM 335 CA GLY A 48 -5.692 5.548 8.895 1.00 0.00 C ATOM 336 C GLY A 48 -4.437 5.056 8.198 1.00 0.00 C ATOM 337 O GLY A 48 -4.057 3.894 8.345 1.00 0.00 O ATOM 0 H GLY A 48 -5.082 4.376 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.571 5.162 8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.740 6.635 8.836 1.00 0.00 H new ATOM 341 N TYR A 49 -3.784 5.937 7.453 1.00 0.00 N ATOM 342 CA TYR A 49 -2.561 5.579 6.738 1.00 0.00 C ATOM 343 C TYR A 49 -1.421 6.524 7.116 1.00 0.00 C ATOM 344 O TYR A 49 -1.591 7.743 7.103 1.00 0.00 O ATOM 345 CB TYR A 49 -2.805 5.619 5.226 1.00 0.00 C ATOM 346 CG TYR A 49 -3.901 4.678 4.773 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.698 3.303 4.747 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.142 5.163 4.381 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.701 2.441 4.342 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.149 4.308 3.978 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.925 2.950 3.960 1.00 0.00 C ATOM 352 OH TYR A 49 -6.928 2.096 3.560 1.00 0.00 O ATOM 0 H TYR A 49 -4.078 6.905 7.326 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.276 4.566 7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.065 6.636 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.880 5.365 4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.742 2.901 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.323 6.228 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.527 1.375 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.108 4.703 3.678 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.783 2.575 3.556 1.00 0.00 H new ATOM 362 N THR A 50 -0.261 5.961 7.461 1.00 0.00 N ATOM 363 CA THR A 50 0.894 6.776 7.844 1.00 0.00 C ATOM 364 C THR A 50 1.475 7.529 6.635 1.00 0.00 C ATOM 365 O THR A 50 1.442 8.759 6.614 1.00 0.00 O ATOM 366 CB THR A 50 1.984 5.939 8.552 1.00 0.00 C ATOM 367 OG1 THR A 50 1.489 5.463 9.811 1.00 0.00 O ATOM 368 CG2 THR A 50 3.250 6.757 8.778 1.00 0.00 C ATOM 0 H THR A 50 -0.097 4.955 7.483 1.00 0.00 H new ATOM 0 HA THR A 50 0.536 7.515 8.561 1.00 0.00 H new ATOM 0 HB THR A 50 2.232 5.095 7.909 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.822 4.762 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.997 6.140 9.278 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.641 7.095 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.018 7.622 9.400 1.00 0.00 H new ATOM 376 N PRO A 51 2.030 6.832 5.610 1.00 0.00 N ATOM 377 CA PRO A 51 2.552 7.512 4.423 1.00 0.00 C ATOM 378 C PRO A 51 1.419 8.017 3.531 1.00 0.00 C ATOM 379 O PRO A 51 0.815 7.246 2.783 1.00 0.00 O ATOM 380 CB PRO A 51 3.362 6.432 3.710 1.00 0.00 C ATOM 381 CG PRO A 51 2.732 5.150 4.128 1.00 0.00 C ATOM 382 CD PRO A 51 2.226 5.368 5.528 1.00 0.00 C ATOM 0 HA PRO A 51 3.145 8.391 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.324 6.558 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.412 6.470 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.917 4.880 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.454 4.334 4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.295 4.829 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.943 5.018 6.271 1.00 0.00 H new ATOM 390 N GLU A 52 1.127 9.311 3.637 1.00 0.00 N ATOM 391 CA GLU A 52 0.055 9.941 2.856 1.00 0.00 C ATOM 392 C GLU A 52 0.167 9.630 1.357 1.00 0.00 C ATOM 393 O GLU A 52 -0.822 9.262 0.717 1.00 0.00 O ATOM 394 CB GLU A 52 0.054 11.460 3.079 1.00 0.00 C ATOM 395 CG GLU A 52 1.423 12.114 2.928 1.00 0.00 C ATOM 396 CD GLU A 52 1.901 12.812 4.192 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.239 12.670 5.242 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.967 13.471 4.134 1.00 0.00 O ATOM 0 H GLU A 52 1.619 9.951 4.260 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.887 9.521 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.636 11.920 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.328 11.669 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.151 11.354 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.384 12.838 2.114 1.00 0.00 H new ATOM 405 N LEU A 53 1.369 9.775 0.804 1.00 0.00 N ATOM 406 CA LEU A 53 1.597 9.506 -0.613 1.00 0.00 C ATOM 407 C LEU A 53 2.838 8.637 -0.806 1.00 0.00 C ATOM 408 O LEU A 53 3.943 9.033 -0.441 1.00 0.00 O ATOM 409 CB LEU A 53 1.757 10.811 -1.405 1.00 0.00 C ATOM 410 CG LEU A 53 1.457 12.104 -0.644 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.336 13.235 -1.153 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.013 12.476 -0.780 1.00 0.00 C ATOM 0 H LEU A 53 2.199 10.077 1.315 1.00 0.00 H new ATOM 0 HA LEU A 53 0.724 8.972 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.780 10.862 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.102 10.766 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 53 1.676 11.940 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.110 14.148 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.384 12.974 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.144 13.395 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.207 13.398 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.256 12.621 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.630 11.675 -0.373 1.00 0.00 H new ATOM 424 N ILE A 54 2.653 7.455 -1.385 1.00 0.00 N ATOM 425 CA ILE A 54 3.768 6.538 -1.626 1.00 0.00 C ATOM 426 C ILE A 54 4.287 6.668 -3.060 1.00 0.00 C ATOM 427 O ILE A 54 3.517 6.632 -4.021 1.00 0.00 O ATOM 428 CB ILE A 54 3.385 5.067 -1.350 1.00 0.00 C ATOM 429 CG1 ILE A 54 2.020 4.725 -1.954 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.384 4.792 0.145 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.692 3.249 -1.905 1.00 0.00 C ATOM 0 H ILE A 54 1.746 7.108 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 54 4.556 6.821 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 54 4.132 4.432 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.247 5.279 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.996 5.060 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.112 3.752 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.378 4.982 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.661 5.445 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.711 3.079 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.444 2.690 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.684 2.912 -0.868 1.00 0.00 H new ATOM 443 N VAL A 55 5.596 6.835 -3.198 1.00 0.00 N ATOM 444 CA VAL A 55 6.214 6.977 -4.517 1.00 0.00 C ATOM 445 C VAL A 55 6.761 5.640 -5.028 1.00 0.00 C ATOM 446 O VAL A 55 7.562 4.985 -4.357 1.00 0.00 O ATOM 447 CB VAL A 55 7.350 8.022 -4.487 1.00 0.00 C ATOM 448 CG1 VAL A 55 8.060 8.104 -5.831 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.809 9.386 -4.083 1.00 0.00 C ATOM 0 H VAL A 55 6.251 6.876 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 55 5.435 7.317 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 55 8.080 7.703 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.855 8.848 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.489 7.132 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.346 8.390 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.623 10.110 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.054 9.705 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.362 9.321 -3.091 1.00 0.00 H new ATOM 459 N LEU A 56 6.319 5.249 -6.223 1.00 0.00 N ATOM 460 CA LEU A 56 6.749 3.991 -6.844 1.00 0.00 C ATOM 461 C LEU A 56 7.215 4.219 -8.286 1.00 0.00 C ATOM 462 O LEU A 56 6.839 5.205 -8.926 1.00 0.00 O ATOM 463 CB LEU A 56 5.595 2.973 -6.850 1.00 0.00 C ATOM 464 CG LEU A 56 5.486 2.052 -5.628 1.00 0.00 C ATOM 465 CD1 LEU A 56 6.856 1.719 -5.067 1.00 0.00 C ATOM 466 CD2 LEU A 56 4.608 2.682 -4.561 1.00 0.00 C ATOM 0 H LEU A 56 5.660 5.787 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 56 7.581 3.603 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.658 3.521 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.695 2.350 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 56 5.022 1.120 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.746 1.065 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.449 1.215 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.359 2.638 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.543 2.014 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.040 3.633 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.610 2.852 -4.965 1.00 0.00 H new ATOM 478 N LYS A 57 8.040 3.310 -8.795 1.00 0.00 N ATOM 479 CA LYS A 57 8.522 3.402 -10.172 1.00 0.00 C ATOM 480 C LYS A 57 7.568 2.666 -11.115 1.00 0.00 C ATOM 481 O LYS A 57 6.683 1.941 -10.664 1.00 0.00 O ATOM 482 CB LYS A 57 9.934 2.822 -10.289 1.00 0.00 C ATOM 483 CG LYS A 57 11.028 3.875 -10.295 1.00 0.00 C ATOM 484 CD LYS A 57 12.396 3.255 -10.070 1.00 0.00 C ATOM 485 CE LYS A 57 13.499 4.099 -10.689 1.00 0.00 C ATOM 486 NZ LYS A 57 14.852 3.643 -10.267 1.00 0.00 N ATOM 0 H LYS A 57 8.389 2.503 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 57 8.557 4.454 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.106 2.137 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.002 2.235 -11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.019 4.405 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.829 4.613 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.576 3.147 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.418 2.254 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.424 4.054 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.362 5.142 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.539 4.410 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.833 3.385 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.131 2.815 -10.831 1.00 0.00 H new ATOM 500 N LYS A 58 7.742 2.845 -12.419 1.00 0.00 N ATOM 501 CA LYS A 58 6.865 2.193 -13.392 1.00 0.00 C ATOM 502 C LYS A 58 7.488 0.923 -13.976 1.00 0.00 C ATOM 503 O LYS A 58 8.706 0.828 -14.132 1.00 0.00 O ATOM 504 CB LYS A 58 6.505 3.161 -14.519 1.00 0.00 C ATOM 505 CG LYS A 58 5.313 2.702 -15.344 1.00 0.00 C ATOM 506 CD LYS A 58 4.984 3.678 -16.462 1.00 0.00 C ATOM 507 CE LYS A 58 5.500 3.185 -17.805 1.00 0.00 C ATOM 508 NZ LYS A 58 4.398 2.703 -18.685 1.00 0.00 N ATOM 0 H LYS A 58 8.473 3.429 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 58 5.960 1.901 -12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.288 4.140 -14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.367 3.282 -15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.523 1.721 -15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.445 2.589 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.905 3.820 -16.516 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.422 4.650 -16.238 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.037 3.991 -18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.215 2.378 -17.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.800 2.298 -19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.849 1.975 -18.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.775 3.499 -18.929 1.00 0.00 H new ATOM 522 N SER A 59 6.622 -0.053 -14.281 1.00 0.00 N ATOM 523 CA SER A 59 7.023 -1.344 -14.862 1.00 0.00 C ATOM 524 C SER A 59 7.876 -2.167 -13.890 1.00 0.00 C ATOM 525 O SER A 59 8.585 -3.090 -14.298 1.00 0.00 O ATOM 526 CB SER A 59 7.774 -1.138 -16.184 1.00 0.00 C ATOM 527 OG SER A 59 8.111 -2.378 -16.780 1.00 0.00 O ATOM 0 H SER A 59 5.617 0.031 -14.131 1.00 0.00 H new ATOM 0 HA SER A 59 6.109 -1.905 -15.060 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.156 -0.558 -16.870 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.680 -0.560 -16.004 1.00 0.00 H new ATOM 0 HG SER A 59 8.414 -3.002 -16.088 1.00 0.00 H new ATOM 533 N VAL A 60 7.793 -1.838 -12.608 1.00 0.00 N ATOM 534 CA VAL A 60 8.557 -2.543 -11.586 1.00 0.00 C ATOM 535 C VAL A 60 7.631 -3.106 -10.498 1.00 0.00 C ATOM 536 O VAL A 60 6.691 -2.438 -10.067 1.00 0.00 O ATOM 537 CB VAL A 60 9.623 -1.608 -10.957 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.980 -0.573 -10.051 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.674 -2.399 -10.194 1.00 0.00 C ATOM 0 H VAL A 60 7.204 -1.086 -12.250 1.00 0.00 H new ATOM 0 HA VAL A 60 9.068 -3.378 -12.065 1.00 0.00 H new ATOM 0 HB VAL A 60 10.119 -1.087 -11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.752 0.068 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.283 0.034 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.442 -1.077 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.406 -1.714 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.195 -2.964 -9.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.176 -3.087 -10.874 1.00 0.00 H new ATOM 549 N PRO A 61 7.853 -4.363 -10.072 1.00 0.00 N ATOM 550 CA PRO A 61 7.045 -4.983 -9.017 1.00 0.00 C ATOM 551 C PRO A 61 7.212 -4.264 -7.676 1.00 0.00 C ATOM 552 O PRO A 61 8.323 -4.120 -7.167 1.00 0.00 O ATOM 553 CB PRO A 61 7.587 -6.416 -8.934 1.00 0.00 C ATOM 554 CG PRO A 61 8.942 -6.360 -9.554 1.00 0.00 C ATOM 555 CD PRO A 61 8.879 -5.279 -10.596 1.00 0.00 C ATOM 0 HA PRO A 61 5.979 -4.939 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.641 -6.757 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.939 -7.113 -9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.704 -6.137 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.206 -7.318 -10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.840 -4.780 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.602 -5.677 -11.572 1.00 0.00 H new ATOM 563 N ALA A 62 6.108 -3.796 -7.114 1.00 0.00 N ATOM 564 CA ALA A 62 6.148 -3.089 -5.838 1.00 0.00 C ATOM 565 C ALA A 62 5.239 -3.748 -4.806 1.00 0.00 C ATOM 566 O ALA A 62 4.097 -4.099 -5.103 1.00 0.00 O ATOM 567 CB ALA A 62 5.760 -1.633 -6.041 1.00 0.00 C ATOM 0 H ALA A 62 5.176 -3.891 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 62 7.167 -3.137 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.792 -1.111 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.458 -1.164 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.751 -1.579 -6.450 1.00 0.00 H new ATOM 573 N ARG A 63 5.747 -3.917 -3.591 1.00 0.00 N ATOM 574 CA ARG A 63 4.968 -4.537 -2.529 1.00 0.00 C ATOM 575 C ARG A 63 4.716 -3.565 -1.375 1.00 0.00 C ATOM 576 O ARG A 63 5.637 -2.952 -0.829 1.00 0.00 O ATOM 577 CB ARG A 63 5.640 -5.823 -2.037 1.00 0.00 C ATOM 578 CG ARG A 63 6.939 -5.612 -1.289 1.00 0.00 C ATOM 579 CD ARG A 63 7.990 -6.626 -1.708 1.00 0.00 C ATOM 580 NE ARG A 63 8.044 -7.769 -0.796 1.00 0.00 N ATOM 581 CZ ARG A 63 8.964 -7.927 0.142 1.00 0.00 C ATOM 582 NH1 ARG A 63 9.911 -7.035 0.308 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.936 -8.981 0.919 1.00 0.00 N ATOM 0 H ARG A 63 6.689 -3.635 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 63 3.996 -4.804 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.945 -6.354 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.831 -6.468 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.309 -4.604 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.761 -5.692 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.773 -6.977 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.967 -6.143 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 63 7.328 -8.489 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.944 -6.209 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.615 -7.167 1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.204 -9.682 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.646 -9.101 1.641 1.00 0.00 H new ATOM 597 N ILE A 64 3.447 -3.416 -1.031 1.00 0.00 N ATOM 598 CA ILE A 64 3.036 -2.525 0.050 1.00 0.00 C ATOM 599 C ILE A 64 2.784 -3.315 1.334 1.00 0.00 C ATOM 600 O ILE A 64 1.868 -4.134 1.398 1.00 0.00 O ATOM 601 CB ILE A 64 1.758 -1.737 -0.322 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.755 -1.368 -1.814 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.633 -0.490 0.539 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.739 -0.275 -2.184 1.00 0.00 C ATOM 0 H ILE A 64 2.676 -3.904 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 64 3.849 -1.817 0.211 1.00 0.00 H new ATOM 0 HB ILE A 64 0.896 -2.377 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.983 -2.260 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.752 -1.049 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.729 0.053 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.579 -0.777 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.502 0.149 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.674 -0.074 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.500 0.632 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.750 -0.597 -1.936 1.00 0.00 H new ATOM 616 N VAL A 65 3.599 -3.067 2.356 1.00 0.00 N ATOM 617 CA VAL A 65 3.465 -3.767 3.633 1.00 0.00 C ATOM 618 C VAL A 65 2.536 -3.016 4.585 1.00 0.00 C ATOM 619 O VAL A 65 2.895 -1.968 5.115 1.00 0.00 O ATOM 620 CB VAL A 65 4.836 -3.959 4.320 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.740 -5.000 5.426 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.903 -4.352 3.307 1.00 0.00 C ATOM 0 H VAL A 65 4.359 -2.387 2.326 1.00 0.00 H new ATOM 0 HA VAL A 65 3.037 -4.744 3.408 1.00 0.00 H new ATOM 0 HB VAL A 65 5.126 -3.008 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.715 -5.121 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.015 -4.673 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.421 -5.952 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.858 -4.481 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.620 -5.287 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.996 -3.569 2.554 1.00 0.00 H new ATOM 632 N PHE A 66 1.344 -3.560 4.806 1.00 0.00 N ATOM 633 CA PHE A 66 0.370 -2.931 5.695 1.00 0.00 C ATOM 634 C PHE A 66 0.452 -3.509 7.107 1.00 0.00 C ATOM 635 O PHE A 66 0.150 -4.681 7.334 1.00 0.00 O ATOM 636 CB PHE A 66 -1.045 -3.099 5.135 1.00 0.00 C ATOM 637 CG PHE A 66 -1.303 -2.253 3.921 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.426 -0.878 4.034 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.412 -2.832 2.667 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.653 -0.096 2.918 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.637 -2.054 1.548 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.759 -0.684 1.675 1.00 0.00 C ATOM 0 H PHE A 66 1.028 -4.433 4.384 1.00 0.00 H new ATOM 0 HA PHE A 66 0.606 -1.868 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.207 -4.147 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.768 -2.843 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.344 -0.412 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.320 -3.903 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.747 0.975 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.717 -2.516 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.937 -0.074 0.802 1.00 0.00 H new ATOM 652 N ASP A 67 0.868 -2.673 8.053 1.00 0.00 N ATOM 653 CA ASP A 67 0.992 -3.081 9.450 1.00 0.00 C ATOM 654 C ASP A 67 -0.225 -2.619 10.253 1.00 0.00 C ATOM 655 O ASP A 67 -0.335 -1.443 10.600 1.00 0.00 O ATOM 656 CB ASP A 67 2.278 -2.494 10.049 1.00 0.00 C ATOM 657 CG ASP A 67 2.493 -2.893 11.497 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.268 -4.077 11.828 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.894 -2.022 12.299 1.00 0.00 O ATOM 0 H ASP A 67 1.127 -1.702 7.877 1.00 0.00 H new ATOM 0 HA ASP A 67 1.041 -4.169 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.132 -2.823 9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.242 -1.407 9.979 1.00 0.00 H new ATOM 664 N ARG A 68 -1.128 -3.547 10.557 1.00 0.00 N ATOM 665 CA ARG A 68 -2.338 -3.216 11.308 1.00 0.00 C ATOM 666 C ARG A 68 -2.045 -3.023 12.798 1.00 0.00 C ATOM 667 O ARG A 68 -1.969 -3.987 13.564 1.00 0.00 O ATOM 668 CB ARG A 68 -3.404 -4.294 11.115 1.00 0.00 C ATOM 669 CG ARG A 68 -4.756 -3.736 10.692 1.00 0.00 C ATOM 670 CD ARG A 68 -5.867 -4.177 11.632 1.00 0.00 C ATOM 671 NE ARG A 68 -6.525 -5.391 11.163 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.714 -5.794 11.572 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.392 -5.099 12.452 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.230 -6.896 11.088 1.00 0.00 N ATOM 0 H ARG A 68 -1.047 -4.530 10.297 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.715 -2.271 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.060 -5.004 10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.523 -4.848 12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.709 -2.647 10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.985 -4.066 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.455 -4.348 12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.603 -3.378 11.725 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.036 -5.965 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.002 -4.235 12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.309 -5.422 12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.714 -7.440 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.148 -7.210 11.402 1.00 0.00 H new ATOM 688 N LYS A 69 -1.891 -1.764 13.193 1.00 0.00 N ATOM 689 CA LYS A 69 -1.613 -1.408 14.580 1.00 0.00 C ATOM 690 C LYS A 69 -2.918 -1.146 15.338 1.00 0.00 C ATOM 691 O LYS A 69 -3.085 -1.567 16.482 1.00 0.00 O ATOM 692 CB LYS A 69 -0.707 -0.169 14.623 1.00 0.00 C ATOM 693 CG LYS A 69 -0.688 0.550 15.963 1.00 0.00 C ATOM 694 CD LYS A 69 0.382 -0.017 16.881 1.00 0.00 C ATOM 695 CE LYS A 69 1.666 0.801 16.822 1.00 0.00 C ATOM 696 NZ LYS A 69 2.753 0.084 16.099 1.00 0.00 N ATOM 0 H LYS A 69 -1.955 -0.964 12.564 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.101 -2.239 15.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.310 -0.469 14.371 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.033 0.531 13.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.508 1.613 15.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.664 0.460 16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.010 -0.037 17.905 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.594 -1.048 16.599 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.468 1.752 16.327 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.996 1.032 17.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.498 -0.187 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.366 -0.770 15.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.155 0.708 15.371 1.00 0.00 H new ATOM 710 N ASP A 70 -3.840 -0.448 14.685 1.00 0.00 N ATOM 711 CA ASP A 70 -5.134 -0.135 15.285 1.00 0.00 C ATOM 712 C ASP A 70 -6.215 -1.102 14.786 1.00 0.00 C ATOM 713 O ASP A 70 -6.352 -1.325 13.584 1.00 0.00 O ATOM 714 CB ASP A 70 -5.525 1.313 14.967 1.00 0.00 C ATOM 715 CG ASP A 70 -6.458 1.907 16.005 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.960 2.489 16.989 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.689 1.789 15.827 1.00 0.00 O ATOM 0 H ASP A 70 -3.716 -0.087 13.739 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.050 -0.249 16.366 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.624 1.923 14.903 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.005 1.349 13.989 1.00 0.00 H new ATOM 722 N PRO A 71 -7.014 -1.672 15.710 1.00 0.00 N ATOM 723 CA PRO A 71 -8.083 -2.624 15.372 1.00 0.00 C ATOM 724 C PRO A 71 -9.366 -1.942 14.887 1.00 0.00 C ATOM 725 O PRO A 71 -10.473 -2.361 15.230 1.00 0.00 O ATOM 726 CB PRO A 71 -8.326 -3.329 16.704 1.00 0.00 C ATOM 727 CG PRO A 71 -8.060 -2.277 17.723 1.00 0.00 C ATOM 728 CD PRO A 71 -6.944 -1.430 17.164 1.00 0.00 C ATOM 0 HA PRO A 71 -7.801 -3.283 14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.346 -3.705 16.776 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.661 -4.184 16.830 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.951 -1.677 17.906 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.773 -2.721 18.676 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.085 -0.375 17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.977 -1.722 17.572 1.00 0.00 H new ATOM 736 N SER A 72 -9.211 -0.890 14.090 1.00 0.00 N ATOM 737 CA SER A 72 -10.356 -0.151 13.555 1.00 0.00 C ATOM 738 C SER A 72 -11.119 -0.980 12.521 1.00 0.00 C ATOM 739 O SER A 72 -10.513 -1.611 11.654 1.00 0.00 O ATOM 740 CB SER A 72 -9.892 1.158 12.911 1.00 0.00 C ATOM 741 OG SER A 72 -10.966 1.819 12.263 1.00 0.00 O ATOM 0 H SER A 72 -8.303 -0.527 13.798 1.00 0.00 H new ATOM 0 HA SER A 72 -11.024 0.068 14.388 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.467 1.811 13.673 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.101 0.951 12.190 1.00 0.00 H new ATOM 0 HG SER A 72 -10.643 2.653 11.862 1.00 0.00 H new ATOM 747 N PRO A 73 -12.465 -0.976 12.589 1.00 0.00 N ATOM 748 CA PRO A 73 -13.309 -1.727 11.644 1.00 0.00 C ATOM 749 C PRO A 73 -13.171 -1.220 10.208 1.00 0.00 C ATOM 750 O PRO A 73 -13.344 -1.975 9.253 1.00 0.00 O ATOM 751 CB PRO A 73 -14.730 -1.485 12.160 1.00 0.00 C ATOM 752 CG PRO A 73 -14.637 -0.224 12.950 1.00 0.00 C ATOM 753 CD PRO A 73 -13.274 -0.242 13.579 1.00 0.00 C ATOM 0 HA PRO A 73 -13.030 -2.780 11.602 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.438 -1.385 11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.074 -2.315 12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.762 0.650 12.310 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.418 -0.178 13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.892 0.765 13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.282 -0.744 14.547 1.00 0.00 H new ATOM 761 N CYS A 74 -12.843 0.064 10.068 1.00 0.00 N ATOM 762 CA CYS A 74 -12.673 0.675 8.752 1.00 0.00 C ATOM 763 C CYS A 74 -11.289 0.363 8.175 1.00 0.00 C ATOM 764 O CYS A 74 -11.000 0.684 7.024 1.00 0.00 O ATOM 765 CB CYS A 74 -12.866 2.191 8.841 1.00 0.00 C ATOM 766 SG CYS A 74 -14.500 2.694 9.429 1.00 0.00 S ATOM 0 H CYS A 74 -12.690 0.700 10.850 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.428 0.255 8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.109 2.604 9.507 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.696 2.627 7.856 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.565 3.992 9.472 1.00 0.00 H new ATOM 772 N LEU A 75 -10.439 -0.263 8.986 1.00 0.00 N ATOM 773 CA LEU A 75 -9.091 -0.621 8.558 1.00 0.00 C ATOM 774 C LEU A 75 -8.883 -2.139 8.593 1.00 0.00 C ATOM 775 O LEU A 75 -7.752 -2.620 8.531 1.00 0.00 O ATOM 776 CB LEU A 75 -8.055 0.064 9.451 1.00 0.00 C ATOM 777 CG LEU A 75 -7.854 1.558 9.187 1.00 0.00 C ATOM 778 CD1 LEU A 75 -7.075 2.190 10.326 1.00 0.00 C ATOM 779 CD2 LEU A 75 -7.134 1.780 7.864 1.00 0.00 C ATOM 0 H LEU A 75 -10.661 -0.533 9.944 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.964 -0.281 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.351 -0.068 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.098 -0.443 9.325 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.833 2.032 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.938 3.253 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.626 2.063 11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.101 1.708 10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.002 2.849 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.159 1.294 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.725 1.356 7.052 1.00 0.00 H new ATOM 791 N ASP A 76 -9.984 -2.886 8.689 1.00 0.00 N ATOM 792 CA ASP A 76 -9.930 -4.348 8.731 1.00 0.00 C ATOM 793 C ASP A 76 -9.472 -4.934 7.389 1.00 0.00 C ATOM 794 O ASP A 76 -8.765 -5.943 7.346 1.00 0.00 O ATOM 795 CB ASP A 76 -11.305 -4.907 9.105 1.00 0.00 C ATOM 796 CG ASP A 76 -11.219 -6.217 9.865 1.00 0.00 C ATOM 797 OD1 ASP A 76 -11.136 -6.178 11.113 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.237 -7.284 9.216 1.00 0.00 O ATOM 0 H ASP A 76 -10.927 -2.501 8.739 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.200 -4.637 9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.837 -4.174 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.891 -5.056 8.198 1.00 0.00 H new ATOM 803 N GLN A 77 -9.884 -4.300 6.298 1.00 0.00 N ATOM 804 CA GLN A 77 -9.520 -4.759 4.960 1.00 0.00 C ATOM 805 C GLN A 77 -8.950 -3.614 4.123 1.00 0.00 C ATOM 806 O GLN A 77 -9.073 -2.444 4.487 1.00 0.00 O ATOM 807 CB GLN A 77 -10.742 -5.355 4.253 1.00 0.00 C ATOM 808 CG GLN A 77 -11.145 -6.727 4.776 1.00 0.00 C ATOM 809 CD GLN A 77 -12.558 -6.751 5.325 1.00 0.00 C ATOM 810 OE1 GLN A 77 -12.899 -5.999 6.234 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.393 -7.618 4.776 1.00 0.00 N ATOM 0 H GLN A 77 -10.471 -3.466 6.312 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.753 -5.526 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.584 -4.672 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.532 -5.430 3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.059 -7.458 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.450 -7.032 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.074 -8.227 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.356 -7.678 5.106 1.00 0.00 H new ATOM 820 N ILE A 78 -8.317 -3.958 3.007 1.00 0.00 N ATOM 821 CA ILE A 78 -7.745 -2.955 2.114 1.00 0.00 C ATOM 822 C ILE A 78 -8.015 -3.307 0.651 1.00 0.00 C ATOM 823 O ILE A 78 -7.816 -4.444 0.220 1.00 0.00 O ATOM 824 CB ILE A 78 -6.222 -2.775 2.339 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.681 -1.665 1.433 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.468 -4.077 2.097 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.191 -0.455 2.191 1.00 0.00 C ATOM 0 H ILE A 78 -8.187 -4.922 2.699 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.234 -2.010 2.350 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.066 -2.490 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.863 -2.063 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.465 -1.357 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.403 -3.917 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.832 -4.841 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.630 -4.406 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.822 0.291 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.011 -0.032 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.385 -0.749 2.864 1.00 0.00 H new ATOM 839 N VAL A 79 -8.490 -2.329 -0.108 1.00 0.00 N ATOM 840 CA VAL A 79 -8.783 -2.538 -1.518 1.00 0.00 C ATOM 841 C VAL A 79 -8.295 -1.365 -2.362 1.00 0.00 C ATOM 842 O VAL A 79 -8.566 -0.204 -2.064 1.00 0.00 O ATOM 843 CB VAL A 79 -10.296 -2.792 -1.764 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.152 -2.021 -0.774 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.698 -2.457 -3.197 1.00 0.00 C ATOM 0 H VAL A 79 -8.680 -1.385 0.229 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.242 -3.433 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.471 -3.857 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.205 -2.219 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.908 -2.336 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.958 -0.954 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.763 -2.648 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.490 -1.406 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.129 -3.078 -3.889 1.00 0.00 H new ATOM 855 N PHE A 80 -7.541 -1.695 -3.400 1.00 0.00 N ATOM 856 CA PHE A 80 -7.009 -0.708 -4.327 1.00 0.00 C ATOM 857 C PHE A 80 -7.996 -0.508 -5.479 1.00 0.00 C ATOM 858 O PHE A 80 -8.050 -1.326 -6.397 1.00 0.00 O ATOM 859 CB PHE A 80 -5.657 -1.187 -4.868 1.00 0.00 C ATOM 860 CG PHE A 80 -4.483 -0.848 -3.991 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.287 -1.507 -2.788 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.572 0.122 -4.376 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.204 -1.203 -1.984 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.488 0.432 -3.576 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.304 -0.232 -2.378 1.00 0.00 C ATOM 0 H PHE A 80 -7.281 -2.656 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.867 0.241 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.695 -2.268 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.498 -0.749 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.988 -2.267 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.710 0.642 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.062 -1.724 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.786 1.192 -3.887 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.458 0.008 -1.751 1.00 0.00 H new ATOM 875 N PRO A 81 -8.779 0.589 -5.465 1.00 0.00 N ATOM 876 CA PRO A 81 -9.782 0.860 -6.507 1.00 0.00 C ATOM 877 C PRO A 81 -9.176 1.107 -7.891 1.00 0.00 C ATOM 878 O PRO A 81 -9.883 1.082 -8.898 1.00 0.00 O ATOM 879 CB PRO A 81 -10.495 2.119 -6.003 1.00 0.00 C ATOM 880 CG PRO A 81 -9.529 2.765 -5.072 1.00 0.00 C ATOM 881 CD PRO A 81 -8.740 1.652 -4.446 1.00 0.00 C ATOM 0 HA PRO A 81 -10.439 0.002 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.752 2.783 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.426 1.868 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.874 3.453 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.051 3.347 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.718 1.959 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.184 1.324 -3.506 1.00 0.00 H new ATOM 889 N ASP A 82 -7.869 1.338 -7.939 1.00 0.00 N ATOM 890 CA ASP A 82 -7.186 1.585 -9.204 1.00 0.00 C ATOM 891 C ASP A 82 -6.444 0.339 -9.707 1.00 0.00 C ATOM 892 O ASP A 82 -5.973 0.309 -10.843 1.00 0.00 O ATOM 893 CB ASP A 82 -6.211 2.753 -9.052 1.00 0.00 C ATOM 894 CG ASP A 82 -6.917 4.079 -8.860 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.860 4.369 -9.625 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.525 4.829 -7.939 1.00 0.00 O ATOM 0 H ASP A 82 -7.262 1.359 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.944 1.837 -9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.557 2.567 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.575 2.808 -9.936 1.00 0.00 H new ATOM 901 N PHE A 83 -6.341 -0.687 -8.862 1.00 0.00 N ATOM 902 CA PHE A 83 -5.646 -1.921 -9.239 1.00 0.00 C ATOM 903 C PHE A 83 -6.573 -3.140 -9.183 1.00 0.00 C ATOM 904 O PHE A 83 -6.327 -4.149 -9.844 1.00 0.00 O ATOM 905 CB PHE A 83 -4.435 -2.143 -8.325 1.00 0.00 C ATOM 906 CG PHE A 83 -3.260 -1.266 -8.658 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.164 0.016 -8.138 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.251 -1.721 -9.493 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.090 0.824 -8.444 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.173 -0.916 -9.802 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.092 0.358 -9.276 1.00 0.00 C ATOM 0 H PHE A 83 -6.727 -0.690 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.311 -1.807 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.732 -1.961 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.128 -3.187 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.941 0.386 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.309 -2.717 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.029 1.821 -8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.394 -1.282 -10.454 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.249 0.989 -9.515 1.00 0.00 H new ATOM 921 N GLY A 84 -7.638 -3.048 -8.385 1.00 0.00 N ATOM 922 CA GLY A 84 -8.577 -4.153 -8.246 1.00 0.00 C ATOM 923 C GLY A 84 -8.161 -5.126 -7.153 1.00 0.00 C ATOM 924 O GLY A 84 -8.841 -6.121 -6.887 1.00 0.00 O ATOM 0 H GLY A 84 -7.868 -2.224 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.568 -3.759 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.652 -4.685 -9.194 1.00 0.00 H new ATOM 928 N VAL A 85 -7.051 -4.808 -6.497 1.00 0.00 N ATOM 929 CA VAL A 85 -6.503 -5.646 -5.438 1.00 0.00 C ATOM 930 C VAL A 85 -7.215 -5.400 -4.110 1.00 0.00 C ATOM 931 O VAL A 85 -7.156 -4.305 -3.556 1.00 0.00 O ATOM 932 CB VAL A 85 -4.992 -5.381 -5.274 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.443 -6.059 -4.029 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.238 -5.838 -6.513 1.00 0.00 C ATOM 0 H VAL A 85 -6.508 -3.965 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.660 -6.686 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.849 -4.307 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.376 -5.853 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.959 -5.676 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.600 -7.135 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.173 -5.645 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.397 -6.906 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.602 -5.291 -7.383 1.00 0.00 H new ATOM 944 N HIS A 86 -7.888 -6.425 -3.603 1.00 0.00 N ATOM 945 CA HIS A 86 -8.609 -6.316 -2.339 1.00 0.00 C ATOM 946 C HIS A 86 -8.279 -7.493 -1.417 1.00 0.00 C ATOM 947 O HIS A 86 -8.494 -8.653 -1.772 1.00 0.00 O ATOM 948 CB HIS A 86 -10.126 -6.209 -2.580 1.00 0.00 C ATOM 949 CG HIS A 86 -10.709 -7.270 -3.470 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.408 -7.394 -4.817 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.597 -8.251 -3.196 1.00 0.00 C ATOM 952 CE1 HIS A 86 -11.086 -8.408 -5.322 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.814 -8.944 -4.361 1.00 0.00 N ATOM 0 H HIS A 86 -7.950 -7.341 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.283 -5.402 -1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.634 -6.246 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.340 -5.233 -3.016 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.765 -6.797 -5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.052 -8.453 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.051 -8.742 -6.348 1.00 0.00 H new ATOM 961 N ALA A 87 -7.747 -7.183 -0.238 1.00 0.00 N ATOM 962 CA ALA A 87 -7.365 -8.213 0.730 1.00 0.00 C ATOM 963 C ALA A 87 -7.712 -7.802 2.162 1.00 0.00 C ATOM 964 O ALA A 87 -8.141 -6.675 2.413 1.00 0.00 O ATOM 965 CB ALA A 87 -5.875 -8.508 0.617 1.00 0.00 C ATOM 0 H ALA A 87 -7.570 -6.228 0.072 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.933 -9.114 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.600 -9.275 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.649 -8.861 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.308 -7.599 0.819 1.00 0.00 H new ATOM 971 N ASN A 88 -7.520 -8.726 3.098 1.00 0.00 N ATOM 972 CA ASN A 88 -7.804 -8.467 4.507 1.00 0.00 C ATOM 973 C ASN A 88 -6.506 -8.303 5.300 1.00 0.00 C ATOM 974 O ASN A 88 -5.505 -8.955 5.011 1.00 0.00 O ATOM 975 CB ASN A 88 -8.646 -9.604 5.103 1.00 0.00 C ATOM 976 CG ASN A 88 -8.067 -10.980 4.823 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.058 -11.445 3.685 1.00 0.00 O ATOM 978 ND2 ASN A 88 -7.584 -11.643 5.860 1.00 0.00 N ATOM 0 H ASN A 88 -7.168 -9.664 2.906 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.370 -7.538 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.727 -9.462 6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.656 -9.552 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.186 -12.573 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.609 -11.224 6.790 1.00 0.00 H new ATOM 985 N LEU A 89 -6.530 -7.432 6.303 1.00 0.00 N ATOM 986 CA LEU A 89 -5.347 -7.191 7.123 1.00 0.00 C ATOM 987 C LEU A 89 -5.469 -7.877 8.486 1.00 0.00 C ATOM 988 O LEU A 89 -6.487 -7.752 9.169 1.00 0.00 O ATOM 989 CB LEU A 89 -5.119 -5.688 7.314 1.00 0.00 C ATOM 990 CG LEU A 89 -5.102 -4.862 6.024 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.076 -3.375 6.343 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.907 -5.244 5.165 1.00 0.00 C ATOM 0 H LEU A 89 -7.349 -6.884 6.567 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.490 -7.616 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.901 -5.298 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.171 -5.543 7.832 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.012 -5.077 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.064 -2.804 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.962 -3.111 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.183 -3.143 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.910 -4.648 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.987 -5.057 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.967 -6.302 4.908 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.434 -8.633 8.890 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.418 -9.328 10.176 1.00 0.00 C ATOM 1006 C PRO A 90 -4.031 -8.402 11.333 1.00 0.00 C ATOM 1007 O PRO A 90 -2.992 -7.741 11.295 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.363 -10.413 9.969 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.420 -9.849 8.957 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.209 -8.885 8.109 1.00 0.00 C ATOM 0 HA PRO A 90 -5.399 -9.717 10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.848 -10.646 10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.814 -11.340 9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.588 -9.341 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.993 -10.642 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.653 -7.964 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.440 -9.311 7.133 1.00 0.00 H new ATOM 1018 N MET A 91 -4.875 -8.358 12.362 1.00 0.00 N ATOM 1019 CA MET A 91 -4.629 -7.506 13.525 1.00 0.00 C ATOM 1020 C MET A 91 -3.366 -7.928 14.281 1.00 0.00 C ATOM 1021 O MET A 91 -3.230 -9.078 14.700 1.00 0.00 O ATOM 1022 CB MET A 91 -5.838 -7.535 14.463 1.00 0.00 C ATOM 1023 CG MET A 91 -5.656 -6.700 15.718 1.00 0.00 C ATOM 1024 SD MET A 91 -5.186 -4.996 15.365 1.00 0.00 S ATOM 1025 CE MET A 91 -4.345 -4.562 16.884 1.00 0.00 C ATOM 0 H MET A 91 -5.736 -8.903 12.415 1.00 0.00 H new ATOM 0 HA MET A 91 -4.474 -6.489 13.164 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.715 -7.177 13.923 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.040 -8.567 14.750 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.584 -6.705 16.289 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.893 -7.159 16.346 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.592 -3.536 17.156 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.662 -5.235 17.680 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.268 -4.650 16.741 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.444 -6.982 14.445 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.199 -7.257 15.144 1.00 0.00 C ATOM 1037 C GLY A 92 -0.125 -7.856 14.247 1.00 0.00 C ATOM 1038 O GLY A 92 0.960 -8.200 14.715 1.00 0.00 O ATOM 0 H GLY A 92 -2.538 -6.025 14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.823 -6.332 15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.397 -7.941 15.969 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.426 -7.979 12.956 1.00 0.00 N ATOM 1043 CA GLU A 93 0.519 -8.548 11.997 1.00 0.00 C ATOM 1044 C GLU A 93 0.639 -7.668 10.749 1.00 0.00 C ATOM 1045 O GLU A 93 -0.052 -6.655 10.620 1.00 0.00 O ATOM 1046 CB GLU A 93 0.090 -9.966 11.605 1.00 0.00 C ATOM 1047 CG GLU A 93 0.023 -10.934 12.776 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.427 -12.322 12.365 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.651 -12.535 12.234 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.445 -13.197 12.173 1.00 0.00 O ATOM 0 H GLU A 93 -1.317 -7.692 12.550 1.00 0.00 H new ATOM 0 HA GLU A 93 1.498 -8.592 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.889 -9.920 11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.788 -10.355 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.005 -10.999 13.244 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.663 -10.542 13.527 1.00 0.00 H new ATOM 1057 N GLU A 94 1.523 -8.058 9.835 1.00 0.00 N ATOM 1058 CA GLU A 94 1.736 -7.296 8.605 1.00 0.00 C ATOM 1059 C GLU A 94 1.285 -8.071 7.366 1.00 0.00 C ATOM 1060 O GLU A 94 1.567 -9.261 7.223 1.00 0.00 O ATOM 1061 CB GLU A 94 3.215 -6.927 8.464 1.00 0.00 C ATOM 1062 CG GLU A 94 3.662 -5.807 9.391 1.00 0.00 C ATOM 1063 CD GLU A 94 4.738 -6.241 10.371 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.858 -7.459 10.625 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.462 -5.359 10.887 1.00 0.00 O ATOM 0 H GLU A 94 2.102 -8.893 9.921 1.00 0.00 H new ATOM 0 HA GLU A 94 1.132 -6.392 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.820 -7.812 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.409 -6.631 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.037 -4.976 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.800 -5.437 9.947 1.00 0.00 H new ATOM 1072 N TYR A 95 0.584 -7.380 6.474 1.00 0.00 N ATOM 1073 CA TYR A 95 0.107 -7.979 5.226 1.00 0.00 C ATOM 1074 C TYR A 95 0.691 -7.225 4.034 1.00 0.00 C ATOM 1075 O TYR A 95 0.531 -6.011 3.920 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.424 -7.965 5.162 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.000 -9.042 4.268 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.173 -10.339 4.734 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.367 -8.762 2.958 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.695 -11.326 3.919 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.890 -9.744 2.138 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.051 -11.024 2.624 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.572 -12.003 1.809 1.00 0.00 O ATOM 0 H TYR A 95 0.331 -6.399 6.590 1.00 0.00 H new ATOM 0 HA TYR A 95 0.438 -9.017 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.823 -8.088 6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.756 -6.990 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.895 -10.580 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.242 -7.760 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.823 -12.330 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.171 -9.510 1.122 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.771 -11.623 0.928 1.00 0.00 H new ATOM 1093 N VAL A 96 1.368 -7.942 3.145 1.00 0.00 N ATOM 1094 CA VAL A 96 1.985 -7.309 1.984 1.00 0.00 C ATOM 1095 C VAL A 96 1.133 -7.443 0.715 1.00 0.00 C ATOM 1096 O VAL A 96 0.537 -8.487 0.444 1.00 0.00 O ATOM 1097 CB VAL A 96 3.418 -7.854 1.740 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.409 -9.137 0.917 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.282 -6.798 1.074 1.00 0.00 C ATOM 0 H VAL A 96 1.503 -8.951 3.203 1.00 0.00 H new ATOM 0 HA VAL A 96 2.052 -6.246 2.214 1.00 0.00 H new ATOM 0 HB VAL A 96 3.844 -8.097 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.432 -9.483 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.839 -9.903 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.949 -8.944 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.283 -7.197 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.842 -6.519 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.342 -5.919 1.716 1.00 0.00 H new ATOM 1109 N VAL A 97 1.059 -6.350 -0.039 1.00 0.00 N ATOM 1110 CA VAL A 97 0.313 -6.312 -1.292 1.00 0.00 C ATOM 1111 C VAL A 97 1.269 -6.091 -2.465 1.00 0.00 C ATOM 1112 O VAL A 97 1.848 -5.014 -2.612 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.759 -5.194 -1.276 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.332 -4.957 -2.668 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.868 -5.540 -0.295 1.00 0.00 C ATOM 0 H VAL A 97 1.513 -5.469 0.201 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.194 -7.270 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.278 -4.271 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.081 -4.167 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.531 -4.660 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.794 -5.875 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.614 -4.745 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.337 -6.478 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.449 -5.645 0.706 1.00 0.00 H new ATOM 1125 N GLU A 98 1.442 -7.117 -3.290 1.00 0.00 N ATOM 1126 CA GLU A 98 2.342 -7.029 -4.439 1.00 0.00 C ATOM 1127 C GLU A 98 1.593 -6.612 -5.707 1.00 0.00 C ATOM 1128 O GLU A 98 0.708 -7.325 -6.181 1.00 0.00 O ATOM 1129 CB GLU A 98 3.046 -8.370 -4.664 1.00 0.00 C ATOM 1130 CG GLU A 98 4.362 -8.500 -3.911 1.00 0.00 C ATOM 1131 CD GLU A 98 4.761 -9.944 -3.676 1.00 0.00 C ATOM 1132 OE1 GLU A 98 5.217 -10.600 -4.636 1.00 0.00 O ATOM 1133 OE2 GLU A 98 4.618 -10.419 -2.529 1.00 0.00 O ATOM 0 H GLU A 98 0.974 -8.017 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 98 3.086 -6.263 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.380 -9.177 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.233 -8.499 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.149 -7.997 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.279 -7.989 -2.952 1.00 0.00 H new ATOM 1140 N ILE A 99 1.958 -5.454 -6.249 1.00 0.00 N ATOM 1141 CA ILE A 99 1.327 -4.935 -7.464 1.00 0.00 C ATOM 1142 C ILE A 99 2.373 -4.474 -8.476 1.00 0.00 C ATOM 1143 O ILE A 99 3.516 -4.179 -8.120 1.00 0.00 O ATOM 1144 CB ILE A 99 0.369 -3.760 -7.162 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.862 -2.945 -5.963 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.040 -4.277 -6.915 1.00 0.00 C ATOM 1147 CD1 ILE A 99 0.086 -1.664 -5.739 1.00 0.00 C ATOM 0 H ILE A 99 2.689 -4.854 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 99 0.750 -5.758 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 99 0.351 -3.102 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.798 -3.560 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.914 -2.701 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.703 -3.438 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.394 -4.806 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.034 -4.958 -6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.491 -1.140 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.171 -1.028 -6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.963 -1.900 -5.562 1.00 0.00 H new ATOM 1159 N THR A 100 1.978 -4.414 -9.744 1.00 0.00 N ATOM 1160 CA THR A 100 2.887 -3.989 -10.806 1.00 0.00 C ATOM 1161 C THR A 100 2.348 -2.767 -11.549 1.00 0.00 C ATOM 1162 O THR A 100 1.534 -2.895 -12.466 1.00 0.00 O ATOM 1163 CB THR A 100 3.134 -5.123 -11.822 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.292 -6.375 -11.141 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.374 -4.841 -12.660 1.00 0.00 C ATOM 0 H THR A 100 1.039 -4.653 -10.062 1.00 0.00 H new ATOM 0 HA THR A 100 3.828 -3.727 -10.323 1.00 0.00 H new ATOM 0 HB THR A 100 2.269 -5.176 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.446 -7.087 -11.797 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.527 -5.655 -13.369 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.240 -3.906 -13.204 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.243 -4.760 -12.008 1.00 0.00 H new ATOM 1173 N PRO A 101 2.798 -1.560 -11.158 1.00 0.00 N ATOM 1174 CA PRO A 101 2.367 -0.306 -11.795 1.00 0.00 C ATOM 1175 C PRO A 101 2.943 -0.143 -13.204 1.00 0.00 C ATOM 1176 O PRO A 101 4.092 0.258 -13.376 1.00 0.00 O ATOM 1177 CB PRO A 101 2.924 0.768 -10.857 1.00 0.00 C ATOM 1178 CG PRO A 101 4.114 0.129 -10.227 1.00 0.00 C ATOM 1179 CD PRO A 101 3.754 -1.318 -10.059 1.00 0.00 C ATOM 0 HA PRO A 101 1.286 -0.260 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.200 1.669 -11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.188 1.062 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.998 0.243 -10.854 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.344 0.590 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.630 -1.962 -10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.304 -1.510 -9.085 1.00 0.00 H new ATOM 1187 N GLU A 102 2.138 -0.454 -14.216 1.00 0.00 N ATOM 1188 CA GLU A 102 2.585 -0.350 -15.606 1.00 0.00 C ATOM 1189 C GLU A 102 2.208 0.998 -16.231 1.00 0.00 C ATOM 1190 O GLU A 102 2.462 1.238 -17.413 1.00 0.00 O ATOM 1191 CB GLU A 102 1.996 -1.497 -16.431 1.00 0.00 C ATOM 1192 CG GLU A 102 2.488 -2.872 -16.000 1.00 0.00 C ATOM 1193 CD GLU A 102 1.362 -3.875 -15.824 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.182 -3.470 -15.912 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.659 -5.068 -15.601 1.00 0.00 O ATOM 0 H GLU A 102 1.178 -0.779 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 102 3.673 -0.419 -15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.909 -1.468 -16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.245 -1.344 -17.481 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.191 -3.250 -16.742 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.035 -2.779 -15.062 1.00 0.00 H new ATOM 1202 N GLN A 103 1.619 1.881 -15.431 1.00 0.00 N ATOM 1203 CA GLN A 103 1.216 3.202 -15.907 1.00 0.00 C ATOM 1204 C GLN A 103 1.681 4.289 -14.943 1.00 0.00 C ATOM 1205 O GLN A 103 1.550 4.151 -13.728 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.302 3.279 -16.066 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.753 4.265 -17.133 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.858 5.187 -16.648 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -3.027 4.815 -16.628 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -1.494 6.397 -16.251 1.00 0.00 N ATOM 0 H GLN A 103 1.409 1.706 -14.448 1.00 0.00 H new ATOM 0 HA GLN A 103 1.685 3.363 -16.878 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.684 2.289 -16.314 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.745 3.562 -15.111 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.100 4.864 -17.453 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.102 3.715 -18.007 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.512 6.670 -16.282 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.196 7.056 -15.914 1.00 0.00 H new ATOM 1219 N ALA A 104 2.219 5.368 -15.492 1.00 0.00 N ATOM 1220 CA ALA A 104 2.697 6.479 -14.678 1.00 0.00 C ATOM 1221 C ALA A 104 1.585 7.494 -14.433 1.00 0.00 C ATOM 1222 O ALA A 104 0.971 8.000 -15.376 1.00 0.00 O ATOM 1223 CB ALA A 104 3.894 7.146 -15.341 1.00 0.00 C ATOM 0 H ALA A 104 2.336 5.499 -16.497 1.00 0.00 H new ATOM 0 HA ALA A 104 3.011 6.083 -13.712 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.239 7.973 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.698 6.419 -15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.603 7.524 -16.321 1.00 0.00 H new ATOM 1229 N GLY A 105 1.316 7.773 -13.164 1.00 0.00 N ATOM 1230 CA GLY A 105 0.276 8.725 -12.815 1.00 0.00 C ATOM 1231 C GLY A 105 -0.066 8.708 -11.337 1.00 0.00 C ATOM 1232 O GLY A 105 0.728 8.250 -10.511 1.00 0.00 O ATOM 0 H GLY A 105 1.800 7.357 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.598 9.727 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.621 8.504 -13.393 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.252 9.209 -11.005 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.707 9.259 -9.619 1.00 0.00 C ATOM 1238 C GLU A 106 -2.682 8.122 -9.306 1.00 0.00 C ATOM 1239 O GLU A 106 -3.689 7.941 -9.989 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.368 10.608 -9.329 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.575 11.483 -8.371 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.156 12.878 -8.237 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.793 13.752 -9.051 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.974 13.095 -7.317 1.00 0.00 O ATOM 0 H GLU A 106 -1.917 9.587 -11.679 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.833 9.139 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.506 11.144 -10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.360 10.435 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.548 11.009 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.544 11.555 -8.719 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.364 7.364 -8.265 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.190 6.239 -7.829 1.00 0.00 C ATOM 1253 C PHE A 107 -3.631 6.450 -6.378 1.00 0.00 C ATOM 1254 O PHE A 107 -3.075 7.295 -5.679 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.398 4.931 -7.964 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.107 4.549 -9.388 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.968 5.009 -10.026 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.974 3.730 -10.088 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.700 4.660 -11.336 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.713 3.375 -11.397 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.575 3.842 -12.022 1.00 0.00 C ATOM 0 H PHE A 107 -1.529 7.509 -7.698 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.078 6.177 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.457 5.028 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.958 4.126 -7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.280 5.649 -9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.867 3.363 -9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.192 5.026 -11.822 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.398 2.733 -11.930 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.369 3.568 -13.046 1.00 0.00 H new ATOM 1271 N SER A 108 -4.626 5.695 -5.919 1.00 0.00 N ATOM 1272 CA SER A 108 -5.104 5.843 -4.542 1.00 0.00 C ATOM 1273 C SER A 108 -5.680 4.542 -3.987 1.00 0.00 C ATOM 1274 O SER A 108 -6.090 3.655 -4.735 1.00 0.00 O ATOM 1275 CB SER A 108 -6.165 6.943 -4.457 1.00 0.00 C ATOM 1276 OG SER A 108 -5.785 7.953 -3.536 1.00 0.00 O ATOM 0 H SER A 108 -5.112 4.985 -6.467 1.00 0.00 H new ATOM 0 HA SER A 108 -4.239 6.115 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.315 7.384 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.118 6.510 -4.153 1.00 0.00 H new ATOM 0 HG SER A 108 -6.480 8.644 -3.503 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.698 4.446 -2.659 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.236 3.271 -1.968 1.00 0.00 C ATOM 1284 C PHE A 109 -6.972 3.679 -0.687 1.00 0.00 C ATOM 1285 O PHE A 109 -6.537 4.580 0.034 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.124 2.259 -1.646 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.934 2.833 -0.920 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.898 3.436 -1.619 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.843 2.751 0.462 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.801 3.951 -0.955 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.746 3.263 1.130 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.725 3.864 0.421 1.00 0.00 C ATOM 0 H PHE A 109 -5.344 5.171 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.949 2.792 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.547 1.456 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.781 1.810 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.950 3.504 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.638 2.282 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.004 4.421 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.688 3.193 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.868 4.265 0.942 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.098 3.016 -0.417 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.902 3.310 0.773 1.00 0.00 C ATOM 1304 C ALA A 110 -9.866 2.165 1.091 1.00 0.00 C ATOM 1305 O ALA A 110 -9.932 1.175 0.363 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.676 4.608 0.581 1.00 0.00 C ATOM 0 H ALA A 110 -8.474 2.272 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.221 3.422 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.269 4.814 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.977 5.427 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.337 4.513 -0.280 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.557 7.794 -1.038 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.267 8.146 -2.423 1.00 0.00 C ATOM 1421 C LYS A 119 -0.946 7.533 -2.884 1.00 0.00 C ATOM 1422 O LYS A 119 -0.017 7.365 -2.095 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.224 9.667 -2.579 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.604 10.154 -3.968 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.102 11.567 -4.222 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.129 12.609 -3.807 1.00 0.00 C ATOM 1427 NZ LYS A 119 -4.133 12.860 -4.878 1.00 0.00 N ATOM 0 HA LYS A 119 -3.063 7.743 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.898 10.117 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.219 10.018 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.189 9.480 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.688 10.127 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.175 11.729 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.869 11.686 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.639 12.276 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.621 13.541 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.419 13.860 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.716 12.638 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.966 12.258 -4.720 1.00 0.00 H new ATOM 1441 N MET A 120 -0.876 7.189 -4.161 1.00 0.00 N ATOM 1442 CA MET A 120 0.330 6.603 -4.736 1.00 0.00 C ATOM 1443 C MET A 120 0.718 7.314 -6.031 1.00 0.00 C ATOM 1444 O MET A 120 -0.129 7.589 -6.876 1.00 0.00 O ATOM 1445 CB MET A 120 0.114 5.111 -5.003 1.00 0.00 C ATOM 1446 CG MET A 120 1.345 4.405 -5.550 1.00 0.00 C ATOM 1447 SD MET A 120 0.965 3.332 -6.945 1.00 0.00 S ATOM 1448 CE MET A 120 0.237 1.932 -6.103 1.00 0.00 C ATOM 0 H MET A 120 -1.643 7.305 -4.823 1.00 0.00 H new ATOM 0 HA MET A 120 1.143 6.725 -4.020 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.191 4.625 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.707 4.992 -5.710 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.079 5.149 -5.858 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.803 3.815 -4.757 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.209 1.076 -6.777 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.835 1.684 -5.226 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.777 2.182 -5.792 1.00 0.00 H new ATOM 1458 N ILE A 121 1.999 7.618 -6.182 1.00 0.00 N ATOM 1459 CA ILE A 121 2.483 8.291 -7.384 1.00 0.00 C ATOM 1460 C ILE A 121 3.508 7.421 -8.109 1.00 0.00 C ATOM 1461 O ILE A 121 4.566 7.098 -7.565 1.00 0.00 O ATOM 1462 CB ILE A 121 3.101 9.673 -7.065 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.047 10.604 -6.456 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.686 10.302 -8.323 1.00 0.00 C ATOM 1465 CD1 ILE A 121 2.075 10.649 -4.944 1.00 0.00 C ATOM 0 H ILE A 121 2.721 7.411 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 121 1.621 8.451 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 121 3.903 9.528 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.198 11.612 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.058 10.282 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.116 11.273 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.463 9.653 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.898 10.431 -9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.301 11.328 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.893 9.650 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.051 11.001 -4.608 1.00 0.00 H new ATOM 1477 N VAL A 122 3.182 7.037 -9.339 1.00 0.00 N ATOM 1478 CA VAL A 122 4.070 6.198 -10.139 1.00 0.00 C ATOM 1479 C VAL A 122 4.860 7.029 -11.149 1.00 0.00 C ATOM 1480 O VAL A 122 4.287 7.740 -11.974 1.00 0.00 O ATOM 1481 CB VAL A 122 3.280 5.096 -10.879 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.207 4.243 -11.731 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.522 4.229 -9.887 1.00 0.00 C ATOM 0 H VAL A 122 2.311 7.293 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 122 4.771 5.727 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 122 2.560 5.579 -11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.627 3.474 -12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.705 4.872 -12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.954 3.770 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.971 3.458 -10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.227 3.760 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.824 4.847 -9.323 1.00 0.00 H new ATOM 1493 N GLU A 123 6.184 6.927 -11.084 1.00 0.00 N ATOM 1494 CA GLU A 123 7.059 7.671 -11.990 1.00 0.00 C ATOM 1495 C GLU A 123 7.435 6.836 -13.217 1.00 0.00 C ATOM 1496 O GLU A 123 8.172 5.839 -13.050 1.00 0.00 O ATOM 1497 CB GLU A 123 8.324 8.116 -11.252 1.00 0.00 C ATOM 1498 CG GLU A 123 8.363 9.608 -10.955 1.00 0.00 C ATOM 1499 CD GLU A 123 9.629 10.027 -10.231 1.00 0.00 C ATOM 1500 OE1 GLU A 123 10.711 9.983 -10.853 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.538 10.401 -9.043 1.00 0.00 O ATOM 0 H GLU A 123 6.677 6.337 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 123 6.514 8.549 -12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.400 7.565 -10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.196 7.850 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.283 10.163 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.497 9.877 -10.350 1.00 0.00 H new