USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 NoAdj-H: A 98 HIS HD1 : A 98 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 62 SER OG : rot 34:sc= 0.34 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.501 (180deg=-1.85!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.229 K(o=0.23,f=-5.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= 0.67 (180deg=0.163) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.04) USER MOD Single : A 119 ASN : amide:sc= -4.74! C(o=-4.7!,f=-4.3!) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= -0.342 USER MOD Single : A 133 SER OG : rot 34:sc= 0.0658 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 61 -45.588 1.879 1.337 1.00 0.00 N ATOM 2 CA GLY A 61 -44.693 2.696 2.135 1.00 0.00 C ATOM 3 C GLY A 61 -44.106 1.938 3.309 1.00 0.00 C ATOM 4 O GLY A 61 -44.833 1.511 4.207 1.00 0.00 O ATOM 0 HA2 GLY A 61 -43.884 3.065 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -45.234 3.568 2.503 1.00 0.00 H new ATOM 8 N SER A 62 -42.788 1.767 3.303 1.00 0.00 N ATOM 9 CA SER A 62 -42.105 1.049 4.372 1.00 0.00 C ATOM 10 C SER A 62 -40.622 1.404 4.404 1.00 0.00 C ATOM 11 O SER A 62 -39.885 1.122 3.459 1.00 0.00 O ATOM 12 CB SER A 62 -42.276 -0.461 4.193 1.00 0.00 C ATOM 13 OG SER A 62 -41.870 -0.869 2.898 1.00 0.00 O ATOM 0 H SER A 62 -42.172 2.116 2.569 1.00 0.00 H new ATOM 0 HA SER A 62 -42.553 1.348 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 62 -41.689 -0.989 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 -43.319 -0.734 4.354 1.00 0.00 H new ATOM 0 HG SER A 62 -41.118 -0.315 2.601 1.00 0.00 H new ATOM 19 N SER A 63 -40.191 2.025 5.497 1.00 0.00 N ATOM 20 CA SER A 63 -38.797 2.422 5.651 1.00 0.00 C ATOM 21 C SER A 63 -37.864 1.242 5.397 1.00 0.00 C ATOM 22 O SER A 63 -38.227 0.089 5.623 1.00 0.00 O ATOM 23 CB SER A 63 -38.556 2.983 7.054 1.00 0.00 C ATOM 24 OG SER A 63 -38.714 1.977 8.040 1.00 0.00 O ATOM 0 H SER A 63 -40.787 2.264 6.289 1.00 0.00 H new ATOM 0 HA SER A 63 -38.583 3.197 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 63 -37.551 3.401 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 63 -39.253 3.799 7.247 1.00 0.00 H new ATOM 0 HG SER A 63 -38.553 2.361 8.927 1.00 0.00 H new ATOM 30 N GLY A 64 -36.658 1.540 4.923 1.00 0.00 N ATOM 31 CA GLY A 64 -35.690 0.495 4.645 1.00 0.00 C ATOM 32 C GLY A 64 -34.609 0.409 5.704 1.00 0.00 C ATOM 33 O GLY A 64 -34.607 1.180 6.663 1.00 0.00 O ATOM 0 H GLY A 64 -36.334 2.487 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -36.204 -0.464 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -35.230 0.679 3.674 1.00 0.00 H new ATOM 37 N SER A 65 -33.687 -0.533 5.530 1.00 0.00 N ATOM 38 CA SER A 65 -32.597 -0.720 6.481 1.00 0.00 C ATOM 39 C SER A 65 -31.269 -0.909 5.755 1.00 0.00 C ATOM 40 O SER A 65 -31.003 -1.970 5.190 1.00 0.00 O ATOM 41 CB SER A 65 -32.878 -1.927 7.379 1.00 0.00 C ATOM 42 OG SER A 65 -34.145 -1.816 8.002 1.00 0.00 O ATOM 0 H SER A 65 -33.673 -1.178 4.740 1.00 0.00 H new ATOM 0 HA SER A 65 -32.528 0.175 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 65 -32.840 -2.841 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 -32.101 -2.007 8.140 1.00 0.00 H new ATOM 0 HG SER A 65 -34.301 -2.600 8.569 1.00 0.00 H new ATOM 48 N SER A 66 -30.438 0.128 5.776 1.00 0.00 N ATOM 49 CA SER A 66 -29.138 0.079 5.117 1.00 0.00 C ATOM 50 C SER A 66 -28.010 0.289 6.123 1.00 0.00 C ATOM 51 O SER A 66 -28.240 0.736 7.245 1.00 0.00 O ATOM 52 CB SER A 66 -29.060 1.139 4.017 1.00 0.00 C ATOM 53 OG SER A 66 -28.023 0.845 3.097 1.00 0.00 O ATOM 0 H SER A 66 -30.642 1.012 6.242 1.00 0.00 H new ATOM 0 HA SER A 66 -29.022 -0.908 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 66 -30.013 1.192 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 66 -28.888 2.118 4.463 1.00 0.00 H new ATOM 0 HG SER A 66 -27.995 1.537 2.403 1.00 0.00 H new ATOM 59 N GLY A 67 -26.789 -0.038 5.711 1.00 0.00 N ATOM 60 CA GLY A 67 -25.643 0.121 6.587 1.00 0.00 C ATOM 61 C GLY A 67 -25.217 1.569 6.727 1.00 0.00 C ATOM 62 O GLY A 67 -25.929 2.478 6.299 1.00 0.00 O ATOM 0 H GLY A 67 -26.573 -0.410 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -25.884 -0.281 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -24.809 -0.464 6.199 1.00 0.00 H new ATOM 66 N LYS A 68 -24.053 1.786 7.329 1.00 0.00 N ATOM 67 CA LYS A 68 -23.532 3.134 7.526 1.00 0.00 C ATOM 68 C LYS A 68 -22.894 3.663 6.246 1.00 0.00 C ATOM 69 O LYS A 68 -21.891 3.128 5.773 1.00 0.00 O ATOM 70 CB LYS A 68 -22.507 3.145 8.662 1.00 0.00 C ATOM 71 CG LYS A 68 -22.208 4.535 9.197 1.00 0.00 C ATOM 72 CD LYS A 68 -21.100 4.506 10.236 1.00 0.00 C ATOM 73 CE LYS A 68 -21.654 4.300 11.637 1.00 0.00 C ATOM 74 NZ LYS A 68 -22.166 2.915 11.833 1.00 0.00 N ATOM 0 H LYS A 68 -23.452 1.045 7.689 1.00 0.00 H new ATOM 0 HA LYS A 68 -24.366 3.784 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.874 2.522 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -21.580 2.694 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -21.919 5.188 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.111 4.958 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.399 3.705 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.541 5.441 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.874 4.506 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.458 5.013 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.997 2.618 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -23.187 2.891 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.672 2.268 11.186 1.00 0.00 H new ATOM 88 N VAL A 69 -23.482 4.717 5.689 1.00 0.00 N ATOM 89 CA VAL A 69 -22.969 5.320 4.464 1.00 0.00 C ATOM 90 C VAL A 69 -22.099 6.534 4.772 1.00 0.00 C ATOM 91 O VAL A 69 -22.589 7.661 4.840 1.00 0.00 O ATOM 92 CB VAL A 69 -24.114 5.747 3.527 1.00 0.00 C ATOM 93 CG1 VAL A 69 -23.561 6.413 2.276 1.00 0.00 C ATOM 94 CG2 VAL A 69 -24.981 4.550 3.165 1.00 0.00 C ATOM 0 H VAL A 69 -24.314 5.171 6.066 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.366 4.561 3.966 1.00 0.00 H new ATOM 0 HB VAL A 69 -24.737 6.473 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -24.385 6.708 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.987 7.296 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.914 5.713 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -25.785 4.870 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -24.373 3.799 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -25.407 4.122 4.072 1.00 0.00 H new ATOM 104 N LYS A 70 -20.805 6.296 4.956 1.00 0.00 N ATOM 105 CA LYS A 70 -19.864 7.369 5.255 1.00 0.00 C ATOM 106 C LYS A 70 -18.643 7.290 4.346 1.00 0.00 C ATOM 107 O LYS A 70 -17.512 7.478 4.793 1.00 0.00 O ATOM 108 CB LYS A 70 -19.428 7.299 6.720 1.00 0.00 C ATOM 109 CG LYS A 70 -18.947 8.628 7.276 1.00 0.00 C ATOM 110 CD LYS A 70 -18.610 8.526 8.754 1.00 0.00 C ATOM 111 CE LYS A 70 -18.237 9.881 9.336 1.00 0.00 C ATOM 112 NZ LYS A 70 -19.439 10.654 9.755 1.00 0.00 N ATOM 0 H LYS A 70 -20.384 5.369 4.903 1.00 0.00 H new ATOM 0 HA LYS A 70 -20.367 8.320 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -20.264 6.944 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -18.630 6.563 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.067 8.957 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.717 9.385 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.464 8.119 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.783 7.829 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.579 9.739 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.677 10.453 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.143 11.571 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.055 10.811 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.960 10.120 10.480 1.00 0.00 H new ATOM 126 N GLU A 71 -18.879 7.012 3.067 1.00 0.00 N ATOM 127 CA GLU A 71 -17.796 6.910 2.096 1.00 0.00 C ATOM 128 C GLU A 71 -18.240 7.428 0.731 1.00 0.00 C ATOM 129 O GLU A 71 -19.269 7.010 0.199 1.00 0.00 O ATOM 130 CB GLU A 71 -17.326 5.459 1.974 1.00 0.00 C ATOM 131 CG GLU A 71 -18.421 4.498 1.542 1.00 0.00 C ATOM 132 CD GLU A 71 -19.513 4.352 2.584 1.00 0.00 C ATOM 133 OE1 GLU A 71 -19.346 3.529 3.508 1.00 0.00 O ATOM 134 OE2 GLU A 71 -20.535 5.061 2.474 1.00 0.00 O ATOM 0 H GLU A 71 -19.809 6.854 2.680 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.967 7.525 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.508 5.410 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.927 5.133 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.860 4.849 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.983 3.520 1.341 1.00 0.00 H new ATOM 141 N LEU A 72 -17.456 8.341 0.168 1.00 0.00 N ATOM 142 CA LEU A 72 -17.767 8.918 -1.135 1.00 0.00 C ATOM 143 C LEU A 72 -17.141 8.097 -2.258 1.00 0.00 C ATOM 144 O LEU A 72 -17.413 8.327 -3.435 1.00 0.00 O ATOM 145 CB LEU A 72 -17.269 10.363 -1.207 1.00 0.00 C ATOM 146 CG LEU A 72 -18.030 11.378 -0.353 1.00 0.00 C ATOM 147 CD1 LEU A 72 -17.534 11.345 1.084 1.00 0.00 C ATOM 148 CD2 LEU A 72 -17.891 12.777 -0.936 1.00 0.00 C ATOM 0 H LEU A 72 -16.600 8.698 0.594 1.00 0.00 H new ATOM 0 HA LEU A 72 -18.850 8.906 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.221 10.380 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -17.310 10.689 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.086 11.108 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.087 12.074 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.687 10.349 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.472 11.589 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.439 13.486 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.838 13.057 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.297 12.792 -1.948 1.00 0.00 H new ATOM 160 N ASN A 73 -16.302 7.136 -1.884 1.00 0.00 N ATOM 161 CA ASN A 73 -15.638 6.278 -2.859 1.00 0.00 C ATOM 162 C ASN A 73 -15.533 4.847 -2.342 1.00 0.00 C ATOM 163 O ASN A 73 -14.996 4.603 -1.260 1.00 0.00 O ATOM 164 CB ASN A 73 -14.244 6.820 -3.180 1.00 0.00 C ATOM 165 CG ASN A 73 -13.609 6.116 -4.364 1.00 0.00 C ATOM 166 OD1 ASN A 73 -13.183 4.965 -4.260 1.00 0.00 O ATOM 167 ND2 ASN A 73 -13.541 6.806 -5.496 1.00 0.00 N ATOM 0 H ASN A 73 -16.066 6.932 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 73 -16.237 6.273 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.311 7.888 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.603 6.706 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.123 6.385 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.907 7.757 -5.536 1.00 0.00 H new ATOM 174 N LEU A 74 -16.048 3.903 -3.122 1.00 0.00 N ATOM 175 CA LEU A 74 -16.012 2.494 -2.744 1.00 0.00 C ATOM 176 C LEU A 74 -15.425 1.644 -3.867 1.00 0.00 C ATOM 177 O LEU A 74 -15.893 0.536 -4.130 1.00 0.00 O ATOM 178 CB LEU A 74 -17.419 2.002 -2.398 1.00 0.00 C ATOM 179 CG LEU A 74 -17.942 2.385 -1.014 1.00 0.00 C ATOM 180 CD1 LEU A 74 -19.436 2.120 -0.916 1.00 0.00 C ATOM 181 CD2 LEU A 74 -17.192 1.623 0.070 1.00 0.00 C ATOM 0 H LEU A 74 -16.495 4.087 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.373 2.395 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -18.111 2.388 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -17.433 0.915 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 74 -17.772 3.451 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -19.791 2.399 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -19.960 2.710 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -19.630 1.061 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.578 1.908 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -17.330 0.552 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.130 1.863 0.015 1.00 0.00 H new ATOM 193 N HIS A 75 -14.397 2.170 -4.524 1.00 0.00 N ATOM 194 CA HIS A 75 -13.744 1.458 -5.617 1.00 0.00 C ATOM 195 C HIS A 75 -12.885 0.314 -5.084 1.00 0.00 C ATOM 196 O HIS A 75 -13.065 -0.840 -5.470 1.00 0.00 O ATOM 197 CB HIS A 75 -12.882 2.419 -6.437 1.00 0.00 C ATOM 198 CG HIS A 75 -13.631 3.107 -7.535 1.00 0.00 C ATOM 199 ND1 HIS A 75 -13.379 2.886 -8.873 1.00 0.00 N ATOM 200 CD2 HIS A 75 -14.634 4.016 -7.489 1.00 0.00 C ATOM 201 CE1 HIS A 75 -14.192 3.629 -9.601 1.00 0.00 C ATOM 202 NE2 HIS A 75 -14.964 4.324 -8.786 1.00 0.00 N ATOM 0 H HIS A 75 -13.998 3.086 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.519 1.039 -6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.457 3.171 -5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -12.047 1.867 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.089 4.423 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.221 3.663 -10.680 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -15.688 4.983 -9.073 1.00 0.00 H new ATOM 210 N GLU A 76 -11.953 0.645 -4.197 1.00 0.00 N ATOM 211 CA GLU A 76 -11.066 -0.356 -3.613 1.00 0.00 C ATOM 212 C GLU A 76 -10.599 0.075 -2.226 1.00 0.00 C ATOM 213 O GLU A 76 -10.470 1.267 -1.943 1.00 0.00 O ATOM 214 CB GLU A 76 -9.857 -0.590 -4.521 1.00 0.00 C ATOM 215 CG GLU A 76 -8.773 -1.442 -3.884 1.00 0.00 C ATOM 216 CD GLU A 76 -7.738 -1.915 -4.886 1.00 0.00 C ATOM 217 OE1 GLU A 76 -8.042 -1.914 -6.097 1.00 0.00 O ATOM 218 OE2 GLU A 76 -6.624 -2.285 -4.459 1.00 0.00 O ATOM 0 H GLU A 76 -11.792 1.597 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.624 -1.287 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.191 -1.070 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.432 0.374 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.279 -0.868 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.231 -2.307 -3.405 1.00 0.00 H new ATOM 225 N LEU A 77 -10.346 -0.903 -1.363 1.00 0.00 N ATOM 226 CA LEU A 77 -9.894 -0.627 -0.004 1.00 0.00 C ATOM 227 C LEU A 77 -8.526 -1.252 0.251 1.00 0.00 C ATOM 228 O LEU A 77 -8.193 -2.295 -0.312 1.00 0.00 O ATOM 229 CB LEU A 77 -10.908 -1.159 1.010 1.00 0.00 C ATOM 230 CG LEU A 77 -12.309 -0.552 0.939 1.00 0.00 C ATOM 231 CD1 LEU A 77 -13.200 -1.372 0.019 1.00 0.00 C ATOM 232 CD2 LEU A 77 -12.920 -0.457 2.330 1.00 0.00 C ATOM 0 H LEU A 77 -10.446 -1.894 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.807 0.453 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.994 -2.237 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.512 -0.992 2.012 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.228 0.455 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.193 -0.925 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.771 -1.389 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.275 -2.391 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.917 -0.023 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.988 -1.454 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.293 0.173 2.961 1.00 0.00 H new ATOM 244 N CYS A 78 -7.738 -0.609 1.106 1.00 0.00 N ATOM 245 CA CYS A 78 -6.407 -1.102 1.439 1.00 0.00 C ATOM 246 C CYS A 78 -6.464 -2.555 1.900 1.00 0.00 C ATOM 247 O CYS A 78 -7.536 -3.082 2.194 1.00 0.00 O ATOM 248 CB CYS A 78 -5.777 -0.234 2.531 1.00 0.00 C ATOM 249 SG CYS A 78 -3.987 -0.495 2.749 1.00 0.00 S ATOM 0 H CYS A 78 -7.998 0.255 1.581 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.792 -1.048 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.954 0.815 2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.281 -0.436 3.476 1.00 0.00 H new ATOM 254 N ALA A 79 -5.302 -3.198 1.959 1.00 0.00 N ATOM 255 CA ALA A 79 -5.219 -4.589 2.385 1.00 0.00 C ATOM 256 C ALA A 79 -4.440 -4.718 3.690 1.00 0.00 C ATOM 257 O ALA A 79 -4.718 -5.596 4.506 1.00 0.00 O ATOM 258 CB ALA A 79 -4.576 -5.437 1.298 1.00 0.00 C ATOM 0 H ALA A 79 -4.405 -2.777 1.717 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.232 -4.950 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.521 -6.474 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.175 -5.379 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.571 -5.067 1.095 1.00 0.00 H new ATOM 264 N VAL A 80 -3.462 -3.838 3.879 1.00 0.00 N ATOM 265 CA VAL A 80 -2.643 -3.853 5.085 1.00 0.00 C ATOM 266 C VAL A 80 -3.442 -3.392 6.299 1.00 0.00 C ATOM 267 O VAL A 80 -3.508 -4.087 7.313 1.00 0.00 O ATOM 268 CB VAL A 80 -1.401 -2.955 4.931 1.00 0.00 C ATOM 269 CG1 VAL A 80 -0.608 -2.913 6.229 1.00 0.00 C ATOM 270 CG2 VAL A 80 -0.532 -3.442 3.781 1.00 0.00 C ATOM 0 H VAL A 80 -3.218 -3.106 3.212 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.321 -4.884 5.236 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.732 -1.942 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.266 -2.274 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.236 -2.514 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.285 -3.921 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.341 -2.796 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.208 -4.464 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.106 -3.415 2.855 1.00 0.00 H new ATOM 280 N CYS A 81 -4.049 -2.215 6.188 1.00 0.00 N ATOM 281 CA CYS A 81 -4.845 -1.659 7.276 1.00 0.00 C ATOM 282 C CYS A 81 -6.324 -1.984 7.088 1.00 0.00 C ATOM 283 O CYS A 81 -7.094 -2.004 8.050 1.00 0.00 O ATOM 284 CB CYS A 81 -4.650 -0.144 7.356 1.00 0.00 C ATOM 285 SG CYS A 81 -5.395 0.776 5.972 1.00 0.00 S ATOM 0 H CYS A 81 -4.005 -1.628 5.355 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.507 -2.111 8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.078 0.218 8.291 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.582 0.073 7.389 1.00 0.00 H new ATOM 290 N LEU A 82 -6.715 -2.237 5.844 1.00 0.00 N ATOM 291 CA LEU A 82 -8.102 -2.561 5.529 1.00 0.00 C ATOM 292 C LEU A 82 -9.014 -1.367 5.794 1.00 0.00 C ATOM 293 O LEU A 82 -10.071 -1.507 6.408 1.00 0.00 O ATOM 294 CB LEU A 82 -8.565 -3.764 6.352 1.00 0.00 C ATOM 295 CG LEU A 82 -7.646 -4.986 6.330 1.00 0.00 C ATOM 296 CD1 LEU A 82 -7.857 -5.835 7.574 1.00 0.00 C ATOM 297 CD2 LEU A 82 -7.883 -5.810 5.073 1.00 0.00 C ATOM 0 H LEU A 82 -6.091 -2.224 5.037 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.159 -2.810 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.688 -3.445 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.549 -4.067 5.993 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.613 -4.639 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.195 -6.700 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.635 -5.242 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.893 -6.172 7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.220 -6.675 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.919 -6.147 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.679 -5.199 4.194 1.00 0.00 H new ATOM 309 N GLU A 83 -8.598 -0.195 5.326 1.00 0.00 N ATOM 310 CA GLU A 83 -9.378 1.023 5.512 1.00 0.00 C ATOM 311 C GLU A 83 -9.570 1.754 4.187 1.00 0.00 C ATOM 312 O GLU A 83 -8.638 1.875 3.392 1.00 0.00 O ATOM 313 CB GLU A 83 -8.693 1.945 6.522 1.00 0.00 C ATOM 314 CG GLU A 83 -8.755 1.436 7.952 1.00 0.00 C ATOM 315 CD GLU A 83 -8.073 2.369 8.934 1.00 0.00 C ATOM 316 OE1 GLU A 83 -6.826 2.427 8.927 1.00 0.00 O ATOM 317 OE2 GLU A 83 -8.786 3.040 9.709 1.00 0.00 O ATOM 0 H GLU A 83 -7.725 -0.063 4.815 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.358 0.741 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.649 2.072 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.158 2.930 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.798 1.308 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.286 0.453 8.005 1.00 0.00 H new ATOM 324 N ASP A 84 -10.785 2.240 3.957 1.00 0.00 N ATOM 325 CA ASP A 84 -11.100 2.960 2.728 1.00 0.00 C ATOM 326 C ASP A 84 -9.970 3.912 2.351 1.00 0.00 C ATOM 327 O ASP A 84 -9.294 4.465 3.219 1.00 0.00 O ATOM 328 CB ASP A 84 -12.407 3.739 2.890 1.00 0.00 C ATOM 329 CG ASP A 84 -12.452 4.980 2.021 1.00 0.00 C ATOM 330 OD1 ASP A 84 -11.597 5.870 2.212 1.00 0.00 O ATOM 331 OD2 ASP A 84 -13.342 5.061 1.149 1.00 0.00 O ATOM 0 H ASP A 84 -11.568 2.149 4.605 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.217 2.230 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.246 3.091 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.529 4.026 3.935 1.00 0.00 H new ATOM 336 N PHE A 85 -9.769 4.098 1.051 1.00 0.00 N ATOM 337 CA PHE A 85 -8.718 4.981 0.558 1.00 0.00 C ATOM 338 C PHE A 85 -9.266 6.380 0.289 1.00 0.00 C ATOM 339 O PHE A 85 -10.332 6.539 -0.306 1.00 0.00 O ATOM 340 CB PHE A 85 -8.099 4.410 -0.719 1.00 0.00 C ATOM 341 CG PHE A 85 -7.089 3.328 -0.463 1.00 0.00 C ATOM 342 CD1 PHE A 85 -5.898 3.613 0.186 1.00 0.00 C ATOM 343 CD2 PHE A 85 -7.330 2.026 -0.871 1.00 0.00 C ATOM 344 CE1 PHE A 85 -4.967 2.619 0.423 1.00 0.00 C ATOM 345 CE2 PHE A 85 -6.403 1.028 -0.636 1.00 0.00 C ATOM 346 CZ PHE A 85 -5.219 1.326 0.011 1.00 0.00 C ATOM 0 H PHE A 85 -10.320 3.649 0.319 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.948 5.052 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.893 4.013 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.622 5.217 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.695 4.623 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.253 1.788 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.043 2.854 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.604 0.017 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.492 0.549 0.194 1.00 0.00 H new ATOM 356 N LYS A 86 -8.529 7.393 0.732 1.00 0.00 N ATOM 357 CA LYS A 86 -8.937 8.779 0.540 1.00 0.00 C ATOM 358 C LYS A 86 -7.897 9.546 -0.269 1.00 0.00 C ATOM 359 O LYS A 86 -6.708 9.226 -0.259 1.00 0.00 O ATOM 360 CB LYS A 86 -9.151 9.462 1.893 1.00 0.00 C ATOM 361 CG LYS A 86 -10.130 8.730 2.796 1.00 0.00 C ATOM 362 CD LYS A 86 -11.557 9.200 2.568 1.00 0.00 C ATOM 363 CE LYS A 86 -12.396 9.066 3.829 1.00 0.00 C ATOM 364 NZ LYS A 86 -13.043 7.728 3.925 1.00 0.00 N ATOM 0 H LYS A 86 -7.645 7.279 1.227 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.876 8.781 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.192 9.546 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.513 10.476 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.065 7.658 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.855 8.891 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.551 10.240 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.009 8.618 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.766 9.228 4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.162 9.841 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.237 7.507 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.936 7.735 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.408 7.006 3.528 1.00 0.00 H new ATOM 378 N PRO A 87 -8.351 10.584 -0.987 1.00 0.00 N ATOM 379 CA PRO A 87 -7.475 11.420 -1.813 1.00 0.00 C ATOM 380 C PRO A 87 -6.538 12.283 -0.975 1.00 0.00 C ATOM 381 O PRO A 87 -5.404 12.551 -1.373 1.00 0.00 O ATOM 382 CB PRO A 87 -8.455 12.298 -2.594 1.00 0.00 C ATOM 383 CG PRO A 87 -9.676 12.354 -1.742 1.00 0.00 C ATOM 384 CD PRO A 87 -9.756 11.023 -1.046 1.00 0.00 C ATOM 0 HA PRO A 87 -6.820 10.822 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.045 13.294 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.675 11.872 -3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.612 13.169 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.566 12.533 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.190 11.116 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.375 10.317 -1.599 1.00 0.00 H new ATOM 392 N ARG A 88 -7.018 12.714 0.186 1.00 0.00 N ATOM 393 CA ARG A 88 -6.223 13.548 1.080 1.00 0.00 C ATOM 394 C ARG A 88 -4.838 12.944 1.297 1.00 0.00 C ATOM 395 O ARG A 88 -3.838 13.660 1.339 1.00 0.00 O ATOM 396 CB ARG A 88 -6.935 13.716 2.423 1.00 0.00 C ATOM 397 CG ARG A 88 -8.182 14.581 2.347 1.00 0.00 C ATOM 398 CD ARG A 88 -9.046 14.423 3.588 1.00 0.00 C ATOM 399 NE ARG A 88 -9.508 13.048 3.762 1.00 0.00 N ATOM 400 CZ ARG A 88 -10.418 12.686 4.659 1.00 0.00 C ATOM 401 NH1 ARG A 88 -10.961 13.593 5.460 1.00 0.00 N ATOM 402 NH2 ARG A 88 -10.787 11.415 4.756 1.00 0.00 N ATOM 0 H ARG A 88 -7.954 12.500 0.530 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.105 14.527 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.208 12.732 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.241 14.155 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.895 15.626 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.760 14.311 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.478 14.728 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.906 15.088 3.518 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.110 12.326 3.161 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.680 14.571 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.660 13.313 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.372 10.715 4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.486 11.138 5.445 1.00 0.00 H new ATOM 416 N ASP A 89 -4.789 11.624 1.436 1.00 0.00 N ATOM 417 CA ASP A 89 -3.528 10.923 1.649 1.00 0.00 C ATOM 418 C ASP A 89 -2.963 10.408 0.329 1.00 0.00 C ATOM 419 O ASP A 89 -3.681 9.815 -0.474 1.00 0.00 O ATOM 420 CB ASP A 89 -3.724 9.760 2.623 1.00 0.00 C ATOM 421 CG ASP A 89 -2.427 9.330 3.279 1.00 0.00 C ATOM 422 OD1 ASP A 89 -1.505 8.909 2.551 1.00 0.00 O ATOM 423 OD2 ASP A 89 -2.335 9.413 4.522 1.00 0.00 O ATOM 0 H ASP A 89 -5.608 11.017 1.405 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.816 11.629 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.438 10.051 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.157 8.913 2.091 1.00 0.00 H new ATOM 428 N GLU A 90 -1.672 10.641 0.113 1.00 0.00 N ATOM 429 CA GLU A 90 -1.012 10.202 -1.110 1.00 0.00 C ATOM 430 C GLU A 90 -1.092 8.686 -1.258 1.00 0.00 C ATOM 431 O GLU A 90 -0.835 7.944 -0.309 1.00 0.00 O ATOM 432 CB GLU A 90 0.452 10.649 -1.115 1.00 0.00 C ATOM 433 CG GLU A 90 0.999 10.926 -2.506 1.00 0.00 C ATOM 434 CD GLU A 90 2.305 11.695 -2.476 1.00 0.00 C ATOM 435 OE1 GLU A 90 2.264 12.925 -2.262 1.00 0.00 O ATOM 436 OE2 GLU A 90 3.368 11.068 -2.667 1.00 0.00 O ATOM 0 H GLU A 90 -1.063 11.131 0.769 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.527 10.660 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.550 11.550 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.060 9.878 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.150 9.981 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.262 11.491 -3.076 1.00 0.00 H new ATOM 443 N LEU A 91 -1.451 8.232 -2.453 1.00 0.00 N ATOM 444 CA LEU A 91 -1.567 6.803 -2.727 1.00 0.00 C ATOM 445 C LEU A 91 -0.408 6.319 -3.593 1.00 0.00 C ATOM 446 O LEU A 91 -0.153 6.863 -4.666 1.00 0.00 O ATOM 447 CB LEU A 91 -2.897 6.502 -3.420 1.00 0.00 C ATOM 448 CG LEU A 91 -4.158 6.917 -2.661 1.00 0.00 C ATOM 449 CD1 LEU A 91 -5.372 6.865 -3.575 1.00 0.00 C ATOM 450 CD2 LEU A 91 -4.365 6.028 -1.444 1.00 0.00 C ATOM 0 H LEU A 91 -1.667 8.832 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.532 6.272 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.900 7.001 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.949 5.430 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.031 7.944 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.260 7.163 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.225 7.545 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.503 5.850 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.267 6.338 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.470 4.991 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.506 6.117 -0.778 1.00 0.00 H new ATOM 462 N GLY A 92 0.289 5.291 -3.118 1.00 0.00 N ATOM 463 CA GLY A 92 1.411 4.750 -3.863 1.00 0.00 C ATOM 464 C GLY A 92 1.017 3.568 -4.727 1.00 0.00 C ATOM 465 O GLY A 92 0.533 2.555 -4.222 1.00 0.00 O ATOM 0 H GLY A 92 0.097 4.824 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.835 5.531 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.191 4.443 -3.167 1.00 0.00 H new ATOM 469 N ILE A 93 1.223 3.698 -6.033 1.00 0.00 N ATOM 470 CA ILE A 93 0.886 2.633 -6.969 1.00 0.00 C ATOM 471 C ILE A 93 2.061 1.681 -7.166 1.00 0.00 C ATOM 472 O ILE A 93 3.211 2.111 -7.261 1.00 0.00 O ATOM 473 CB ILE A 93 0.463 3.199 -8.337 1.00 0.00 C ATOM 474 CG1 ILE A 93 -0.752 4.116 -8.181 1.00 0.00 C ATOM 475 CG2 ILE A 93 0.157 2.067 -9.307 1.00 0.00 C ATOM 476 CD1 ILE A 93 -0.389 5.565 -7.944 1.00 0.00 C ATOM 0 H ILE A 93 1.622 4.531 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 93 0.048 2.086 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 93 1.288 3.786 -8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.367 4.046 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.360 3.761 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.141 2.483 -10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.046 1.450 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.654 1.456 -8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.299 6.156 -7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.201 5.648 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.193 5.937 -8.787 1.00 0.00 H new ATOM 488 N CYS A 94 1.764 0.388 -7.229 1.00 0.00 N ATOM 489 CA CYS A 94 2.796 -0.625 -7.416 1.00 0.00 C ATOM 490 C CYS A 94 2.788 -1.152 -8.848 1.00 0.00 C ATOM 491 O CYS A 94 1.814 -0.999 -9.586 1.00 0.00 O ATOM 492 CB CYS A 94 2.591 -1.780 -6.434 1.00 0.00 C ATOM 493 SG CYS A 94 3.454 -1.572 -4.860 1.00 0.00 S ATOM 0 H CYS A 94 0.817 0.016 -7.153 1.00 0.00 H new ATOM 0 HA CYS A 94 3.764 -0.162 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.524 -1.892 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.929 -2.705 -6.902 1.00 0.00 H new ATOM 0 HG CYS A 94 3.218 -2.598 -4.097 1.00 0.00 H new ATOM 499 N PRO A 95 3.898 -1.786 -9.252 1.00 0.00 N ATOM 500 CA PRO A 95 4.044 -2.346 -10.598 1.00 0.00 C ATOM 501 C PRO A 95 3.152 -3.563 -10.820 1.00 0.00 C ATOM 502 O PRO A 95 3.173 -4.175 -11.888 1.00 0.00 O ATOM 503 CB PRO A 95 5.520 -2.748 -10.657 1.00 0.00 C ATOM 504 CG PRO A 95 5.908 -2.976 -9.237 1.00 0.00 C ATOM 505 CD PRO A 95 5.097 -2.004 -8.425 1.00 0.00 C ATOM 0 HA PRO A 95 3.750 -1.634 -11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.661 -3.648 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.126 -1.964 -11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.702 -4.003 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.976 -2.810 -9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.842 -2.412 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.640 -1.075 -8.251 1.00 0.00 H new ATOM 513 N CYS A 96 2.368 -3.909 -9.804 1.00 0.00 N ATOM 514 CA CYS A 96 1.468 -5.052 -9.886 1.00 0.00 C ATOM 515 C CYS A 96 0.011 -4.597 -9.907 1.00 0.00 C ATOM 516 O CYS A 96 -0.879 -5.307 -9.439 1.00 0.00 O ATOM 517 CB CYS A 96 1.702 -5.998 -8.707 1.00 0.00 C ATOM 518 SG CYS A 96 1.542 -5.206 -7.075 1.00 0.00 S ATOM 0 H CYS A 96 2.338 -3.413 -8.913 1.00 0.00 H new ATOM 0 HA CYS A 96 1.678 -5.582 -10.815 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.992 -6.822 -8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.699 -6.429 -8.793 1.00 0.00 H new ATOM 523 N LYS A 97 -0.224 -3.409 -10.452 1.00 0.00 N ATOM 524 CA LYS A 97 -1.571 -2.858 -10.536 1.00 0.00 C ATOM 525 C LYS A 97 -2.251 -2.873 -9.170 1.00 0.00 C ATOM 526 O LYS A 97 -3.408 -3.274 -9.046 1.00 0.00 O ATOM 527 CB LYS A 97 -2.407 -3.652 -11.542 1.00 0.00 C ATOM 528 CG LYS A 97 -1.815 -3.676 -12.940 1.00 0.00 C ATOM 529 CD LYS A 97 -2.205 -2.439 -13.733 1.00 0.00 C ATOM 530 CE LYS A 97 -1.374 -2.303 -14.999 1.00 0.00 C ATOM 531 NZ LYS A 97 -1.564 -0.976 -15.647 1.00 0.00 N ATOM 0 H LYS A 97 0.502 -2.808 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.494 -1.824 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.514 -4.676 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.408 -3.224 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.729 -3.740 -12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.156 -4.568 -13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.262 -2.491 -13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.074 -1.552 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.320 -2.442 -14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.648 -3.092 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.981 -0.923 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.565 -0.853 -15.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.279 -0.224 -14.988 1.00 0.00 H new ATOM 545 N HIS A 98 -1.525 -2.431 -8.148 1.00 0.00 N ATOM 546 CA HIS A 98 -2.059 -2.392 -6.791 1.00 0.00 C ATOM 547 C HIS A 98 -1.621 -1.119 -6.072 1.00 0.00 C ATOM 548 O HIS A 98 -0.460 -0.719 -6.150 1.00 0.00 O ATOM 549 CB HIS A 98 -1.602 -3.620 -6.005 1.00 0.00 C ATOM 550 CG HIS A 98 -2.381 -4.859 -6.322 1.00 0.00 C ATOM 551 ND1 HIS A 98 -1.797 -6.100 -6.461 1.00 0.00 N ATOM 552 CD2 HIS A 98 -3.706 -5.043 -6.526 1.00 0.00 C ATOM 553 CE1 HIS A 98 -2.729 -6.994 -6.739 1.00 0.00 C ATOM 554 NE2 HIS A 98 -3.897 -6.379 -6.784 1.00 0.00 N ATOM 0 H HIS A 98 -0.566 -2.095 -8.234 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.147 -2.396 -6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.547 -3.801 -6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.687 -3.411 -4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.471 -4.281 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.564 -8.049 -6.902 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.794 -6.823 -6.979 1.00 0.00 H new ATOM 562 N ALA A 99 -2.559 -0.489 -5.371 1.00 0.00 N ATOM 563 CA ALA A 99 -2.269 0.736 -4.637 1.00 0.00 C ATOM 564 C ALA A 99 -2.386 0.516 -3.133 1.00 0.00 C ATOM 565 O ALA A 99 -3.239 -0.244 -2.671 1.00 0.00 O ATOM 566 CB ALA A 99 -3.202 1.852 -5.083 1.00 0.00 C ATOM 0 H ALA A 99 -3.525 -0.807 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.242 1.027 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.974 2.761 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.066 2.035 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.235 1.560 -4.894 1.00 0.00 H new ATOM 572 N PHE A 100 -1.525 1.183 -2.373 1.00 0.00 N ATOM 573 CA PHE A 100 -1.531 1.059 -0.920 1.00 0.00 C ATOM 574 C PHE A 100 -1.119 2.371 -0.259 1.00 0.00 C ATOM 575 O PHE A 100 -0.423 3.190 -0.861 1.00 0.00 O ATOM 576 CB PHE A 100 -0.591 -0.065 -0.479 1.00 0.00 C ATOM 577 CG PHE A 100 -0.959 -1.409 -1.039 1.00 0.00 C ATOM 578 CD1 PHE A 100 -1.952 -2.172 -0.448 1.00 0.00 C ATOM 579 CD2 PHE A 100 -0.311 -1.909 -2.157 1.00 0.00 C ATOM 580 CE1 PHE A 100 -2.294 -3.409 -0.961 1.00 0.00 C ATOM 581 CE2 PHE A 100 -0.648 -3.145 -2.675 1.00 0.00 C ATOM 582 CZ PHE A 100 -1.640 -3.897 -2.075 1.00 0.00 C ATOM 0 H PHE A 100 -0.813 1.816 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.547 0.819 -0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.426 0.181 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.591 -0.122 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.466 -1.796 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.466 -1.326 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.072 -3.993 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.137 -3.523 -3.548 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.903 -4.864 -2.477 1.00 0.00 H new ATOM 592 N HIS A 101 -1.554 2.564 0.982 1.00 0.00 N ATOM 593 CA HIS A 101 -1.230 3.777 1.725 1.00 0.00 C ATOM 594 C HIS A 101 0.281 3.961 1.834 1.00 0.00 C ATOM 595 O HIS A 101 0.994 3.064 2.285 1.00 0.00 O ATOM 596 CB HIS A 101 -1.851 3.726 3.121 1.00 0.00 C ATOM 597 CG HIS A 101 -3.336 3.919 3.123 1.00 0.00 C ATOM 598 ND1 HIS A 101 -4.224 2.921 3.468 1.00 0.00 N ATOM 599 CD2 HIS A 101 -4.089 5.003 2.822 1.00 0.00 C ATOM 600 CE1 HIS A 101 -5.459 3.383 3.377 1.00 0.00 C ATOM 601 NE2 HIS A 101 -5.404 4.644 2.987 1.00 0.00 N ATOM 0 H HIS A 101 -2.131 1.897 1.494 1.00 0.00 H new ATOM 0 HA HIS A 101 -1.643 4.627 1.182 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.617 2.765 3.579 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.392 4.495 3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.723 5.970 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.360 2.825 3.586 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.208 5.252 2.833 1.00 0.00 H new ATOM 609 N ARG A 102 0.762 5.127 1.416 1.00 0.00 N ATOM 610 CA ARG A 102 2.188 5.427 1.465 1.00 0.00 C ATOM 611 C ARG A 102 2.826 4.830 2.716 1.00 0.00 C ATOM 612 O ARG A 102 3.947 4.323 2.672 1.00 0.00 O ATOM 613 CB ARG A 102 2.413 6.940 1.437 1.00 0.00 C ATOM 614 CG ARG A 102 2.517 7.514 0.033 1.00 0.00 C ATOM 615 CD ARG A 102 3.905 7.305 -0.553 1.00 0.00 C ATOM 616 NE ARG A 102 3.934 7.550 -1.992 1.00 0.00 N ATOM 617 CZ ARG A 102 5.046 7.807 -2.672 1.00 0.00 C ATOM 618 NH1 ARG A 102 6.214 7.851 -2.046 1.00 0.00 N ATOM 619 NH2 ARG A 102 4.991 8.019 -3.981 1.00 0.00 N ATOM 0 H ARG A 102 0.185 5.879 1.040 1.00 0.00 H new ATOM 0 HA ARG A 102 2.659 4.980 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.593 7.431 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.326 7.173 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.774 7.042 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.287 8.579 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.612 7.971 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.233 6.285 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 102 3.052 7.522 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.260 7.687 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.066 8.048 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.094 7.985 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.845 8.216 -4.502 1.00 0.00 H new ATOM 633 N LYS A 103 2.105 4.895 3.830 1.00 0.00 N ATOM 634 CA LYS A 103 2.600 4.360 5.094 1.00 0.00 C ATOM 635 C LYS A 103 2.484 2.840 5.124 1.00 0.00 C ATOM 636 O LYS A 103 3.484 2.133 5.251 1.00 0.00 O ATOM 637 CB LYS A 103 1.823 4.965 6.265 1.00 0.00 C ATOM 638 CG LYS A 103 1.884 6.482 6.317 1.00 0.00 C ATOM 639 CD LYS A 103 1.625 7.003 7.721 1.00 0.00 C ATOM 640 CE LYS A 103 1.574 8.522 7.751 1.00 0.00 C ATOM 641 NZ LYS A 103 0.314 9.047 7.156 1.00 0.00 N ATOM 0 H LYS A 103 1.176 5.313 3.884 1.00 0.00 H new ATOM 0 HA LYS A 103 3.653 4.628 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.781 4.654 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.216 4.562 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.863 6.819 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.147 6.900 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.683 6.599 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.409 6.651 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.661 8.868 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.428 8.925 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.280 10.080 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.283 8.811 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.502 8.617 7.637 1.00 0.00 H new ATOM 655 N CYS A 104 1.257 2.342 5.005 1.00 0.00 N ATOM 656 CA CYS A 104 1.010 0.905 5.018 1.00 0.00 C ATOM 657 C CYS A 104 2.098 0.159 4.250 1.00 0.00 C ATOM 658 O CYS A 104 2.718 -0.768 4.773 1.00 0.00 O ATOM 659 CB CYS A 104 -0.360 0.597 4.411 1.00 0.00 C ATOM 660 SG CYS A 104 -1.764 1.029 5.489 1.00 0.00 S ATOM 0 H CYS A 104 0.418 2.913 4.898 1.00 0.00 H new ATOM 0 HA CYS A 104 1.025 0.568 6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.458 1.138 3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.410 -0.466 4.175 1.00 0.00 H new ATOM 665 N LEU A 105 2.325 0.570 3.008 1.00 0.00 N ATOM 666 CA LEU A 105 3.338 -0.058 2.167 1.00 0.00 C ATOM 667 C LEU A 105 4.698 -0.054 2.858 1.00 0.00 C ATOM 668 O LEU A 105 5.315 -1.103 3.041 1.00 0.00 O ATOM 669 CB LEU A 105 3.434 0.666 0.823 1.00 0.00 C ATOM 670 CG LEU A 105 4.140 -0.094 -0.300 1.00 0.00 C ATOM 671 CD1 LEU A 105 3.390 -1.375 -0.632 1.00 0.00 C ATOM 672 CD2 LEU A 105 4.275 0.783 -1.536 1.00 0.00 C ATOM 0 H LEU A 105 1.821 1.336 2.560 1.00 0.00 H new ATOM 0 HA LEU A 105 3.041 -1.093 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.425 0.909 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.955 1.611 0.978 1.00 0.00 H new ATOM 0 HG LEU A 105 5.140 -0.361 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.907 -1.902 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.347 -2.011 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.377 -1.131 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.780 0.225 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.285 1.082 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.857 1.671 -1.290 1.00 0.00 H new ATOM 684 N ILE A 106 5.158 1.133 3.239 1.00 0.00 N ATOM 685 CA ILE A 106 6.443 1.273 3.913 1.00 0.00 C ATOM 686 C ILE A 106 6.576 0.274 5.057 1.00 0.00 C ATOM 687 O ILE A 106 7.588 -0.416 5.180 1.00 0.00 O ATOM 688 CB ILE A 106 6.637 2.697 4.465 1.00 0.00 C ATOM 689 CG1 ILE A 106 6.814 3.693 3.317 1.00 0.00 C ATOM 690 CG2 ILE A 106 7.834 2.743 5.403 1.00 0.00 C ATOM 691 CD1 ILE A 106 6.508 5.123 3.705 1.00 0.00 C ATOM 0 H ILE A 106 4.660 2.011 3.093 1.00 0.00 H new ATOM 0 HA ILE A 106 7.213 1.073 3.168 1.00 0.00 H new ATOM 0 HB ILE A 106 5.747 2.976 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.839 3.636 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.165 3.402 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.958 3.756 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.670 2.059 6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.732 2.447 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.655 5.773 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.474 5.195 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.175 5.432 4.510 1.00 0.00 H new ATOM 703 N LYS A 107 5.545 0.199 5.892 1.00 0.00 N ATOM 704 CA LYS A 107 5.543 -0.718 7.026 1.00 0.00 C ATOM 705 C LYS A 107 5.601 -2.168 6.553 1.00 0.00 C ATOM 706 O LYS A 107 6.506 -2.915 6.924 1.00 0.00 O ATOM 707 CB LYS A 107 4.294 -0.500 7.883 1.00 0.00 C ATOM 708 CG LYS A 107 4.376 0.726 8.776 1.00 0.00 C ATOM 709 CD LYS A 107 5.210 0.457 10.017 1.00 0.00 C ATOM 710 CE LYS A 107 5.573 1.748 10.735 1.00 0.00 C ATOM 711 NZ LYS A 107 6.063 1.495 12.118 1.00 0.00 N ATOM 0 H LYS A 107 4.699 0.763 5.805 1.00 0.00 H new ATOM 0 HA LYS A 107 6.429 -0.514 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.427 -0.406 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.131 -1.381 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.810 1.556 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.372 1.031 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.657 -0.194 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.120 -0.073 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.341 2.275 10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.701 2.400 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.300 2.400 12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.321 1.015 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.911 0.894 12.081 1.00 0.00 H new ATOM 725 N TRP A 108 4.632 -2.557 5.733 1.00 0.00 N ATOM 726 CA TRP A 108 4.574 -3.917 5.209 1.00 0.00 C ATOM 727 C TRP A 108 5.935 -4.352 4.676 1.00 0.00 C ATOM 728 O TRP A 108 6.420 -5.438 4.999 1.00 0.00 O ATOM 729 CB TRP A 108 3.524 -4.014 4.101 1.00 0.00 C ATOM 730 CG TRP A 108 3.390 -5.393 3.530 1.00 0.00 C ATOM 731 CD1 TRP A 108 3.893 -5.840 2.341 1.00 0.00 C ATOM 732 CD2 TRP A 108 2.707 -6.504 4.122 1.00 0.00 C ATOM 733 NE1 TRP A 108 3.563 -7.162 2.159 1.00 0.00 N ATOM 734 CE2 TRP A 108 2.837 -7.592 3.237 1.00 0.00 C ATOM 735 CE3 TRP A 108 2.001 -6.685 5.314 1.00 0.00 C ATOM 736 CZ2 TRP A 108 2.285 -8.841 3.508 1.00 0.00 C ATOM 737 CZ3 TRP A 108 1.453 -7.925 5.581 1.00 0.00 C ATOM 738 CH2 TRP A 108 1.599 -8.991 4.683 1.00 0.00 C ATOM 0 H TRP A 108 3.876 -1.950 5.416 1.00 0.00 H new ATOM 0 HA TRP A 108 4.293 -4.583 6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.559 -3.696 4.496 1.00 0.00 H new ATOM 0 HB3 TRP A 108 3.785 -3.321 3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.465 -5.243 1.647 1.00 0.00 H new ATOM 0 HE1 TRP A 108 3.818 -7.731 1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.886 -5.871 6.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.394 -9.663 2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 0.902 -8.075 6.498 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.162 -9.949 4.923 1.00 0.00 H new ATOM 749 N LEU A 109 6.546 -3.501 3.860 1.00 0.00 N ATOM 750 CA LEU A 109 7.852 -3.799 3.283 1.00 0.00 C ATOM 751 C LEU A 109 8.837 -4.239 4.361 1.00 0.00 C ATOM 752 O LEU A 109 9.723 -5.055 4.110 1.00 0.00 O ATOM 753 CB LEU A 109 8.398 -2.574 2.548 1.00 0.00 C ATOM 754 CG LEU A 109 7.794 -2.292 1.171 1.00 0.00 C ATOM 755 CD1 LEU A 109 8.108 -0.871 0.731 1.00 0.00 C ATOM 756 CD2 LEU A 109 8.307 -3.295 0.148 1.00 0.00 C ATOM 0 H LEU A 109 6.158 -2.599 3.583 1.00 0.00 H new ATOM 0 HA LEU A 109 7.729 -4.617 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.241 -1.698 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.475 -2.695 2.432 1.00 0.00 H new ATOM 0 HG LEU A 109 6.711 -2.397 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.670 -0.689 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.691 -0.167 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.188 -0.737 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.867 -3.079 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.392 -3.222 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.030 -4.303 0.456 1.00 0.00 H new ATOM 768 N GLU A 110 8.673 -3.695 5.563 1.00 0.00 N ATOM 769 CA GLU A 110 9.547 -4.034 6.680 1.00 0.00 C ATOM 770 C GLU A 110 9.581 -5.543 6.906 1.00 0.00 C ATOM 771 O GLU A 110 10.629 -6.177 6.783 1.00 0.00 O ATOM 772 CB GLU A 110 9.081 -3.326 7.954 1.00 0.00 C ATOM 773 CG GLU A 110 8.917 -1.825 7.791 1.00 0.00 C ATOM 774 CD GLU A 110 10.187 -1.061 8.112 1.00 0.00 C ATOM 775 OE1 GLU A 110 10.565 -1.013 9.301 1.00 0.00 O ATOM 776 OE2 GLU A 110 10.802 -0.511 7.174 1.00 0.00 O ATOM 0 H GLU A 110 7.944 -3.018 5.788 1.00 0.00 H new ATOM 0 HA GLU A 110 10.555 -3.698 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.130 -3.755 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 110 9.799 -3.520 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.614 -1.605 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.114 -1.478 8.442 1.00 0.00 H new ATOM 783 N VAL A 111 8.427 -6.111 7.239 1.00 0.00 N ATOM 784 CA VAL A 111 8.323 -7.545 7.482 1.00 0.00 C ATOM 785 C VAL A 111 8.221 -8.319 6.173 1.00 0.00 C ATOM 786 O VAL A 111 8.957 -9.280 5.949 1.00 0.00 O ATOM 787 CB VAL A 111 7.101 -7.879 8.359 1.00 0.00 C ATOM 788 CG1 VAL A 111 5.813 -7.493 7.649 1.00 0.00 C ATOM 789 CG2 VAL A 111 7.096 -9.355 8.725 1.00 0.00 C ATOM 0 H VAL A 111 7.551 -5.600 7.347 1.00 0.00 H new ATOM 0 HA VAL A 111 9.231 -7.843 8.007 1.00 0.00 H new ATOM 0 HB VAL A 111 7.167 -7.300 9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.961 -7.736 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.818 -6.423 7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.736 -8.043 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.226 -9.573 9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.054 -9.955 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.004 -9.596 9.277 1.00 0.00 H new ATOM 799 N ARG A 112 7.305 -7.893 5.310 1.00 0.00 N ATOM 800 CA ARG A 112 7.106 -8.546 4.022 1.00 0.00 C ATOM 801 C ARG A 112 7.477 -7.611 2.875 1.00 0.00 C ATOM 802 O ARG A 112 6.770 -6.643 2.595 1.00 0.00 O ATOM 803 CB ARG A 112 5.652 -9.000 3.874 1.00 0.00 C ATOM 804 CG ARG A 112 5.295 -10.192 4.747 1.00 0.00 C ATOM 805 CD ARG A 112 5.522 -11.506 4.016 1.00 0.00 C ATOM 806 NE ARG A 112 4.705 -11.609 2.810 1.00 0.00 N ATOM 807 CZ ARG A 112 4.390 -12.763 2.232 1.00 0.00 C ATOM 808 NH1 ARG A 112 4.821 -13.906 2.748 1.00 0.00 N ATOM 809 NH2 ARG A 112 3.642 -12.776 1.136 1.00 0.00 N ATOM 0 H ARG A 112 6.689 -7.098 5.479 1.00 0.00 H new ATOM 0 HA ARG A 112 7.758 -9.419 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.993 -8.168 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.464 -9.255 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 112 5.896 -10.172 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 112 4.251 -10.120 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.575 -11.595 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.291 -12.337 4.683 1.00 0.00 H new ATOM 0 HE ARG A 112 4.357 -10.748 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.396 -13.901 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.578 -14.791 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.308 -11.899 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.401 -13.663 0.693 1.00 0.00 H new ATOM 823 N LYS A 113 8.591 -7.907 2.213 1.00 0.00 N ATOM 824 CA LYS A 113 9.057 -7.094 1.096 1.00 0.00 C ATOM 825 C LYS A 113 8.314 -7.455 -0.186 1.00 0.00 C ATOM 826 O LYS A 113 8.919 -7.577 -1.252 1.00 0.00 O ATOM 827 CB LYS A 113 10.563 -7.280 0.896 1.00 0.00 C ATOM 828 CG LYS A 113 11.406 -6.607 1.965 1.00 0.00 C ATOM 829 CD LYS A 113 11.784 -5.190 1.566 1.00 0.00 C ATOM 830 CE LYS A 113 12.471 -4.455 2.707 1.00 0.00 C ATOM 831 NZ LYS A 113 12.276 -2.981 2.614 1.00 0.00 N ATOM 0 H LYS A 113 9.188 -8.705 2.431 1.00 0.00 H new ATOM 0 HA LYS A 113 8.855 -6.049 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.790 -8.346 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.843 -6.883 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.855 -6.587 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.310 -7.191 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.445 -5.219 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.889 -4.644 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.079 -4.814 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.537 -4.682 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 13.144 -2.496 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.063 -2.720 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.485 -2.696 3.227 1.00 0.00 H new ATOM 845 N VAL A 114 7.000 -7.624 -0.077 1.00 0.00 N ATOM 846 CA VAL A 114 6.175 -7.969 -1.228 1.00 0.00 C ATOM 847 C VAL A 114 4.785 -7.355 -1.111 1.00 0.00 C ATOM 848 O VAL A 114 4.452 -6.730 -0.103 1.00 0.00 O ATOM 849 CB VAL A 114 6.039 -9.495 -1.384 1.00 0.00 C ATOM 850 CG1 VAL A 114 7.407 -10.140 -1.545 1.00 0.00 C ATOM 851 CG2 VAL A 114 5.298 -10.088 -0.195 1.00 0.00 C ATOM 0 H VAL A 114 6.484 -7.527 0.798 1.00 0.00 H new ATOM 0 HA VAL A 114 6.675 -7.565 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 114 5.459 -9.700 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.290 -11.218 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.897 -9.737 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.015 -9.928 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.211 -11.167 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 114 5.849 -9.874 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.302 -9.649 -0.131 1.00 0.00 H new ATOM 861 N CYS A 115 3.975 -7.537 -2.149 1.00 0.00 N ATOM 862 CA CYS A 115 2.619 -7.001 -2.164 1.00 0.00 C ATOM 863 C CYS A 115 1.709 -7.797 -1.233 1.00 0.00 C ATOM 864 O CYS A 115 1.588 -9.018 -1.336 1.00 0.00 O ATOM 865 CB CYS A 115 2.055 -7.023 -3.586 1.00 0.00 C ATOM 866 SG CYS A 115 0.408 -6.262 -3.745 1.00 0.00 S ATOM 0 H CYS A 115 4.234 -8.052 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 115 2.659 -5.970 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 115 2.748 -6.505 -4.248 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.000 -8.057 -3.928 1.00 0.00 H new ATOM 871 N PRO A 116 1.053 -7.090 -0.300 1.00 0.00 N ATOM 872 CA PRO A 116 0.142 -7.710 0.667 1.00 0.00 C ATOM 873 C PRO A 116 -1.138 -8.221 0.013 1.00 0.00 C ATOM 874 O PRO A 116 -2.106 -8.555 0.698 1.00 0.00 O ATOM 875 CB PRO A 116 -0.173 -6.569 1.638 1.00 0.00 C ATOM 876 CG PRO A 116 0.035 -5.327 0.844 1.00 0.00 C ATOM 877 CD PRO A 116 1.149 -5.632 -0.119 1.00 0.00 C ATOM 0 HA PRO A 116 0.586 -8.584 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.196 -6.635 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.483 -6.597 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -0.874 -5.047 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.297 -4.490 1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.022 -5.101 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.119 -5.340 0.283 1.00 0.00 H new ATOM 885 N LEU A 117 -1.136 -8.280 -1.314 1.00 0.00 N ATOM 886 CA LEU A 117 -2.297 -8.751 -2.060 1.00 0.00 C ATOM 887 C LEU A 117 -1.915 -9.891 -2.999 1.00 0.00 C ATOM 888 O LEU A 117 -2.469 -10.988 -2.919 1.00 0.00 O ATOM 889 CB LEU A 117 -2.914 -7.602 -2.860 1.00 0.00 C ATOM 890 CG LEU A 117 -3.933 -6.738 -2.116 1.00 0.00 C ATOM 891 CD1 LEU A 117 -4.261 -5.489 -2.919 1.00 0.00 C ATOM 892 CD2 LEU A 117 -5.197 -7.534 -1.825 1.00 0.00 C ATOM 0 H LEU A 117 -0.343 -8.008 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.031 -9.124 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.109 -6.957 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.397 -8.019 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.495 -6.430 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.988 -4.886 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.352 -4.908 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.679 -5.776 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.911 -6.903 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.638 -7.872 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.949 -8.398 -1.208 1.00 0.00 H new ATOM 904 N CYS A 118 -0.962 -9.626 -3.886 1.00 0.00 N ATOM 905 CA CYS A 118 -0.503 -10.629 -4.839 1.00 0.00 C ATOM 906 C CYS A 118 0.864 -11.176 -4.438 1.00 0.00 C ATOM 907 O CYS A 118 1.469 -11.960 -5.167 1.00 0.00 O ATOM 908 CB CYS A 118 -0.432 -10.032 -6.246 1.00 0.00 C ATOM 909 SG CYS A 118 0.820 -8.723 -6.436 1.00 0.00 S ATOM 0 H CYS A 118 -0.492 -8.724 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 118 -1.219 -11.451 -4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -0.219 -10.830 -6.957 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.409 -9.626 -6.506 1.00 0.00 H new ATOM 914 N ASN A 119 1.344 -10.756 -3.272 1.00 0.00 N ATOM 915 CA ASN A 119 2.639 -11.203 -2.772 1.00 0.00 C ATOM 916 C ASN A 119 3.701 -11.120 -3.864 1.00 0.00 C ATOM 917 O ASN A 119 4.674 -11.873 -3.857 1.00 0.00 O ATOM 918 CB ASN A 119 2.540 -12.638 -2.250 1.00 0.00 C ATOM 919 CG ASN A 119 1.686 -13.520 -3.141 1.00 0.00 C ATOM 920 OD1 ASN A 119 0.489 -13.685 -2.906 1.00 0.00 O ATOM 921 ND2 ASN A 119 2.300 -14.092 -4.170 1.00 0.00 N ATOM 0 H ASN A 119 0.855 -10.107 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 119 2.932 -10.545 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 119 3.541 -13.064 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 119 2.120 -12.628 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.777 -14.696 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.294 -13.927 -4.327 1.00 0.00 H new ATOM 928 N MET A 120 3.507 -10.198 -4.802 1.00 0.00 N ATOM 929 CA MET A 120 4.449 -10.014 -5.899 1.00 0.00 C ATOM 930 C MET A 120 5.724 -9.331 -5.414 1.00 0.00 C ATOM 931 O MET A 120 5.687 -8.359 -4.659 1.00 0.00 O ATOM 932 CB MET A 120 3.809 -9.190 -7.017 1.00 0.00 C ATOM 933 CG MET A 120 4.770 -8.840 -8.142 1.00 0.00 C ATOM 934 SD MET A 120 4.762 -10.063 -9.467 1.00 0.00 S ATOM 935 CE MET A 120 5.502 -9.123 -10.800 1.00 0.00 C ATOM 0 H MET A 120 2.706 -9.567 -4.824 1.00 0.00 H new ATOM 0 HA MET A 120 4.711 -10.998 -6.287 1.00 0.00 H new ATOM 0 HB2 MET A 120 2.967 -9.745 -7.430 1.00 0.00 H new ATOM 0 HB3 MET A 120 3.407 -8.269 -6.594 1.00 0.00 H new ATOM 0 HG2 MET A 120 4.505 -7.865 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 120 5.779 -8.753 -7.739 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.566 -9.746 -11.692 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.889 -8.247 -11.012 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.502 -8.803 -10.508 1.00 0.00 H new ATOM 945 N PRO A 121 6.880 -9.850 -5.854 1.00 0.00 N ATOM 946 CA PRO A 121 8.187 -9.305 -5.477 1.00 0.00 C ATOM 947 C PRO A 121 8.448 -7.940 -6.103 1.00 0.00 C ATOM 948 O PRO A 121 8.674 -7.831 -7.308 1.00 0.00 O ATOM 949 CB PRO A 121 9.174 -10.341 -6.021 1.00 0.00 C ATOM 950 CG PRO A 121 8.451 -10.998 -7.146 1.00 0.00 C ATOM 951 CD PRO A 121 6.999 -11.009 -6.755 1.00 0.00 C ATOM 0 HA PRO A 121 8.267 -9.144 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.095 -9.869 -6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.453 -11.063 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 121 8.600 -10.452 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 121 8.819 -12.011 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.348 -10.911 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.725 -11.937 -6.254 1.00 0.00 H new ATOM 959 N VAL A 122 8.417 -6.899 -5.276 1.00 0.00 N ATOM 960 CA VAL A 122 8.653 -5.540 -5.749 1.00 0.00 C ATOM 961 C VAL A 122 10.096 -5.115 -5.503 1.00 0.00 C ATOM 962 O VAL A 122 10.386 -4.385 -4.554 1.00 0.00 O ATOM 963 CB VAL A 122 7.709 -4.535 -5.062 1.00 0.00 C ATOM 964 CG1 VAL A 122 7.964 -3.126 -5.574 1.00 0.00 C ATOM 965 CG2 VAL A 122 6.257 -4.935 -5.279 1.00 0.00 C ATOM 0 H VAL A 122 8.231 -6.971 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 122 8.455 -5.539 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 122 7.910 -4.548 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.288 -2.430 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.995 -2.843 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.792 -3.093 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.604 -4.214 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.040 -4.952 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.086 -5.926 -4.859 1.00 0.00 H new ATOM 975 N LEU A 123 10.997 -5.575 -6.363 1.00 0.00 N ATOM 976 CA LEU A 123 12.412 -5.242 -6.239 1.00 0.00 C ATOM 977 C LEU A 123 12.856 -4.321 -7.372 1.00 0.00 C ATOM 978 O LEU A 123 12.979 -4.748 -8.519 1.00 0.00 O ATOM 979 CB LEU A 123 13.259 -6.517 -6.243 1.00 0.00 C ATOM 980 CG LEU A 123 13.488 -7.174 -4.881 1.00 0.00 C ATOM 981 CD1 LEU A 123 14.444 -6.342 -4.041 1.00 0.00 C ATOM 982 CD2 LEU A 123 12.165 -7.367 -4.153 1.00 0.00 C ATOM 0 H LEU A 123 10.774 -6.179 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 123 12.555 -4.720 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 123 12.782 -7.245 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.230 -6.283 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 123 13.938 -8.154 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 123 14.595 -6.825 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 123 15.400 -6.255 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.023 -5.348 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.347 -7.836 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 123 11.688 -6.399 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.512 -8.005 -4.748 1.00 0.00 H new ATOM 994 N GLN A 124 13.095 -3.057 -7.039 1.00 0.00 N ATOM 995 CA GLN A 124 13.526 -2.076 -8.029 1.00 0.00 C ATOM 996 C GLN A 124 15.048 -2.004 -8.097 1.00 0.00 C ATOM 997 O GLN A 124 15.625 -0.921 -8.193 1.00 0.00 O ATOM 998 CB GLN A 124 12.953 -0.697 -7.695 1.00 0.00 C ATOM 999 CG GLN A 124 11.608 -0.423 -8.347 1.00 0.00 C ATOM 1000 CD GLN A 124 10.444 -0.933 -7.521 1.00 0.00 C ATOM 1001 OE1 GLN A 124 9.886 -1.994 -7.802 1.00 0.00 O ATOM 1002 NE2 GLN A 124 10.070 -0.178 -6.494 1.00 0.00 N ATOM 0 H GLN A 124 12.998 -2.688 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 124 13.151 -2.391 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.848 -0.609 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.663 0.068 -8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.496 0.650 -8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.583 -0.892 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.561 0.694 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.292 -0.471 -5.902 1.00 0.00 H new ATOM 1011 N LEU A 125 15.692 -3.165 -8.047 1.00 0.00 N ATOM 1012 CA LEU A 125 17.148 -3.234 -8.102 1.00 0.00 C ATOM 1013 C LEU A 125 17.605 -4.281 -9.114 1.00 0.00 C ATOM 1014 O LEU A 125 17.871 -5.428 -8.757 1.00 0.00 O ATOM 1015 CB LEU A 125 17.716 -3.562 -6.720 1.00 0.00 C ATOM 1016 CG LEU A 125 17.542 -2.484 -5.650 1.00 0.00 C ATOM 1017 CD1 LEU A 125 17.801 -3.058 -4.266 1.00 0.00 C ATOM 1018 CD2 LEU A 125 18.468 -1.307 -5.923 1.00 0.00 C ATOM 0 H LEU A 125 15.229 -4.071 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 125 17.522 -2.260 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.245 -4.478 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.780 -3.771 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 125 16.513 -2.127 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.672 -2.276 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.097 -3.867 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 125 18.819 -3.443 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.331 -0.549 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 125 19.503 -1.649 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.234 -0.879 -6.898 1.00 0.00 H new ATOM 1030 N ALA A 126 17.696 -3.876 -10.376 1.00 0.00 N ATOM 1031 CA ALA A 126 18.125 -4.777 -11.438 1.00 0.00 C ATOM 1032 C ALA A 126 19.235 -4.151 -12.275 1.00 0.00 C ATOM 1033 O ALA A 126 20.239 -4.797 -12.574 1.00 0.00 O ATOM 1034 CB ALA A 126 16.944 -5.153 -12.321 1.00 0.00 C ATOM 0 H ALA A 126 17.478 -2.930 -10.688 1.00 0.00 H new ATOM 0 HA ALA A 126 18.521 -5.681 -10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 126 17.279 -5.826 -13.110 1.00 0.00 H new ATOM 0 HB2 ALA A 126 16.183 -5.650 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 126 16.522 -4.252 -12.768 1.00 0.00 H new ATOM 1040 N GLN A 127 19.047 -2.890 -12.651 1.00 0.00 N ATOM 1041 CA GLN A 127 20.032 -2.177 -13.455 1.00 0.00 C ATOM 1042 C GLN A 127 20.441 -0.871 -12.783 1.00 0.00 C ATOM 1043 O GLN A 127 20.600 0.157 -13.444 1.00 0.00 O ATOM 1044 CB GLN A 127 19.474 -1.894 -14.851 1.00 0.00 C ATOM 1045 CG GLN A 127 19.589 -3.073 -15.803 1.00 0.00 C ATOM 1046 CD GLN A 127 18.593 -3.001 -16.943 1.00 0.00 C ATOM 1047 OE1 GLN A 127 17.991 -1.956 -17.192 1.00 0.00 O ATOM 1048 NE2 GLN A 127 18.413 -4.115 -17.644 1.00 0.00 N ATOM 0 H GLN A 127 18.221 -2.341 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 127 20.915 -2.809 -13.546 1.00 0.00 H new ATOM 0 HB2 GLN A 127 18.425 -1.610 -14.763 1.00 0.00 H new ATOM 0 HB3 GLN A 127 20.001 -1.041 -15.278 1.00 0.00 H new ATOM 0 HG2 GLN A 127 20.599 -3.109 -16.210 1.00 0.00 H new ATOM 0 HG3 GLN A 127 19.435 -3.999 -15.249 1.00 0.00 H new ATOM 0 HE21 GLN A 127 18.933 -4.959 -17.403 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.755 -4.127 -18.423 1.00 0.00 H new ATOM 1057 N LEU A 128 20.610 -0.916 -11.466 1.00 0.00 N ATOM 1058 CA LEU A 128 21.000 0.265 -10.703 1.00 0.00 C ATOM 1059 C LEU A 128 22.273 0.001 -9.905 1.00 0.00 C ATOM 1060 O LEU A 128 22.726 -1.139 -9.799 1.00 0.00 O ATOM 1061 CB LEU A 128 19.871 0.683 -9.760 1.00 0.00 C ATOM 1062 CG LEU A 128 18.588 1.180 -10.428 1.00 0.00 C ATOM 1063 CD1 LEU A 128 17.769 0.009 -10.948 1.00 0.00 C ATOM 1064 CD2 LEU A 128 17.770 2.016 -9.455 1.00 0.00 C ATOM 0 H LEU A 128 20.483 -1.758 -10.904 1.00 0.00 H new ATOM 0 HA LEU A 128 21.195 1.074 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 128 19.621 -0.167 -9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 128 20.244 1.470 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 128 18.862 1.809 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 128 16.860 0.382 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 128 18.355 -0.549 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 128 17.504 -0.647 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 128 16.861 2.361 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 128 17.506 1.411 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.357 2.876 -9.132 1.00 0.00 H new ATOM 1076 N SER A 129 22.844 1.062 -9.344 1.00 0.00 N ATOM 1077 CA SER A 129 24.066 0.946 -8.556 1.00 0.00 C ATOM 1078 C SER A 129 24.129 2.033 -7.488 1.00 0.00 C ATOM 1079 O SER A 129 24.309 3.210 -7.794 1.00 0.00 O ATOM 1080 CB SER A 129 25.294 1.036 -9.464 1.00 0.00 C ATOM 1081 OG SER A 129 25.350 -0.064 -10.357 1.00 0.00 O ATOM 0 H SER A 129 22.480 2.012 -9.420 1.00 0.00 H new ATOM 0 HA SER A 129 24.059 -0.025 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 129 25.264 1.967 -10.030 1.00 0.00 H new ATOM 0 HB3 SER A 129 26.198 1.061 -8.856 1.00 0.00 H new ATOM 0 HG SER A 129 26.143 0.018 -10.927 1.00 0.00 H new ATOM 1087 N GLY A 130 23.978 1.627 -6.230 1.00 0.00 N ATOM 1088 CA GLY A 130 24.020 2.578 -5.134 1.00 0.00 C ATOM 1089 C GLY A 130 22.648 3.117 -4.781 1.00 0.00 C ATOM 1090 O GLY A 130 21.623 2.499 -5.066 1.00 0.00 O ATOM 0 H GLY A 130 23.828 0.658 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 130 24.455 2.098 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 130 24.675 3.407 -5.401 1.00 0.00 H new ATOM 1094 N PRO A 131 22.618 4.297 -4.144 1.00 0.00 N ATOM 1095 CA PRO A 131 21.368 4.945 -3.737 1.00 0.00 C ATOM 1096 C PRO A 131 20.565 5.456 -4.928 1.00 0.00 C ATOM 1097 O PRO A 131 19.518 6.082 -4.761 1.00 0.00 O ATOM 1098 CB PRO A 131 21.841 6.114 -2.869 1.00 0.00 C ATOM 1099 CG PRO A 131 23.219 6.410 -3.350 1.00 0.00 C ATOM 1100 CD PRO A 131 23.802 5.090 -3.773 1.00 0.00 C ATOM 0 HA PRO A 131 20.701 4.255 -3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 131 21.188 6.980 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 131 21.839 5.848 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 131 23.199 7.113 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 131 23.818 6.867 -2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 131 24.488 5.204 -4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 131 24.363 4.621 -2.965 1.00 0.00 H new ATOM 1108 N SER A 132 21.063 5.187 -6.131 1.00 0.00 N ATOM 1109 CA SER A 132 20.393 5.623 -7.351 1.00 0.00 C ATOM 1110 C SER A 132 20.465 7.140 -7.497 1.00 0.00 C ATOM 1111 O SER A 132 19.484 7.786 -7.864 1.00 0.00 O ATOM 1112 CB SER A 132 18.933 5.168 -7.346 1.00 0.00 C ATOM 1113 OG SER A 132 18.826 3.800 -6.993 1.00 0.00 O ATOM 0 H SER A 132 21.928 4.669 -6.287 1.00 0.00 H new ATOM 0 HA SER A 132 20.904 5.169 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 132 18.362 5.774 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 132 18.496 5.328 -8.332 1.00 0.00 H new ATOM 0 HG SER A 132 17.883 3.534 -6.995 1.00 0.00 H new ATOM 1119 N SER A 133 21.634 7.702 -7.206 1.00 0.00 N ATOM 1120 CA SER A 133 21.834 9.143 -7.300 1.00 0.00 C ATOM 1121 C SER A 133 21.819 9.599 -8.756 1.00 0.00 C ATOM 1122 O SER A 133 22.510 9.034 -9.603 1.00 0.00 O ATOM 1123 CB SER A 133 23.157 9.540 -6.643 1.00 0.00 C ATOM 1124 OG SER A 133 24.260 9.001 -7.352 1.00 0.00 O ATOM 0 H SER A 133 22.457 7.181 -6.903 1.00 0.00 H new ATOM 0 HA SER A 133 21.015 9.634 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 133 23.238 10.626 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 133 23.175 9.186 -5.612 1.00 0.00 H new ATOM 0 HG SER A 133 24.052 8.974 -8.309 1.00 0.00 H new ATOM 1130 N GLY A 134 21.024 10.627 -9.040 1.00 0.00 N ATOM 1131 CA GLY A 134 20.932 11.142 -10.393 1.00 0.00 C ATOM 1132 C GLY A 134 20.273 10.163 -11.343 1.00 0.00 C ATOM 1133 O GLY A 134 20.952 9.396 -12.025 1.00 0.00 O ATOM 0 H GLY A 134 20.442 11.112 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 134 20.366 12.073 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 134 21.932 11.379 -10.757 1.00 0.00 H new TER 1137 GLY A 134 HETATM 1138 ZN ZN A 200 -3.713 1.162 4.375 1.00 0.00 ZN HETATM 1139 ZN ZN A 300 0.018 -6.665 -6.030 1.00 0.00 ZN