USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 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 43 THR OG1 : rot -130:sc= -1.01 USER MOD Set 1.2: A 62 CYS SG : rot 77:sc= -0.843 USER MOD Set 2.1: A 16 GLN : amide:sc= -2.69! C(o=-2.8!,f=-5.9!) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 1 MET CE :methyl -143:sc= 0 (180deg=-0.0453) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.857 (180deg=0.191!) USER MOD Single : A 2 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.2!) USER MOD Single : A 5 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.1!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -2.88! X(o=-2.9!,f=-3) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0571 (180deg=-0.593) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -26:sc= 0.525 USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= -3.49! (180deg=-5.32!) USER MOD Single : A 69 SER OG : rot -94:sc= -0.405! USER MOD Single : A 70 HIS : no HE2:sc= -2.49 X(o=-2.5,f=-2.9!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.486 -1.870 -12.909 1.00 0.00 N ATOM 2 CA MET A 1 3.702 -1.897 -13.773 1.00 0.00 C ATOM 3 C MET A 1 4.792 -1.011 -13.162 1.00 0.00 C ATOM 4 O MET A 1 5.526 -1.428 -12.289 1.00 0.00 O ATOM 5 CB MET A 1 3.352 -1.372 -15.167 1.00 0.00 C ATOM 6 CG MET A 1 2.339 -2.304 -15.838 1.00 0.00 C ATOM 7 SD MET A 1 0.690 -1.990 -15.161 1.00 0.00 S ATOM 8 CE MET A 1 0.259 -0.581 -16.216 1.00 0.00 C ATOM 0 H1 MET A 1 2.397 -2.776 -12.407 1.00 0.00 H new ATOM 0 H2 MET A 1 2.568 -1.097 -12.218 1.00 0.00 H new ATOM 0 H3 MET A 1 1.644 -1.717 -13.500 1.00 0.00 H new ATOM 0 HA MET A 1 4.065 -2.922 -13.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.939 -0.366 -15.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.254 -1.303 -15.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.338 -2.142 -16.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.620 -3.344 -15.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.311 0.146 -15.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.170 -0.114 -16.589 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.342 -0.927 -17.057 1.00 0.00 H new ATOM 20 N ASN A 2 4.913 0.205 -13.630 1.00 0.00 N ATOM 21 CA ASN A 2 5.967 1.111 -13.093 1.00 0.00 C ATOM 22 C ASN A 2 5.507 1.750 -11.779 1.00 0.00 C ATOM 23 O ASN A 2 4.335 1.765 -11.457 1.00 0.00 O ATOM 24 CB ASN A 2 6.265 2.203 -14.123 1.00 0.00 C ATOM 25 CG ASN A 2 5.009 3.039 -14.373 1.00 0.00 C ATOM 26 OD1 ASN A 2 4.058 2.966 -13.623 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.967 3.835 -15.407 1.00 0.00 N ATOM 0 H ASN A 2 4.326 0.608 -14.361 1.00 0.00 H new ATOM 0 HA ASN A 2 6.869 0.531 -12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.072 2.842 -13.765 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.604 1.753 -15.056 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.134 4.396 -15.585 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.767 3.896 -16.037 1.00 0.00 H new ATOM 34 N VAL A 3 6.431 2.273 -11.015 1.00 0.00 N ATOM 35 CA VAL A 3 6.069 2.905 -9.711 1.00 0.00 C ATOM 36 C VAL A 3 5.653 4.359 -9.933 1.00 0.00 C ATOM 37 O VAL A 3 6.026 4.978 -10.910 1.00 0.00 O ATOM 38 CB VAL A 3 7.275 2.858 -8.773 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.633 1.401 -8.485 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.471 3.553 -9.431 1.00 0.00 C ATOM 0 H VAL A 3 7.426 2.289 -11.240 1.00 0.00 H new ATOM 0 HA VAL A 3 5.236 2.359 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 3 7.029 3.369 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.493 1.363 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.785 0.904 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.877 0.895 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.328 3.517 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.719 3.045 -10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.218 4.592 -9.640 1.00 0.00 H new ATOM 50 N ALA A 4 4.877 4.905 -9.024 1.00 0.00 N ATOM 51 CA ALA A 4 4.414 6.323 -9.159 1.00 0.00 C ATOM 52 C ALA A 4 4.970 7.156 -8.004 1.00 0.00 C ATOM 53 O ALA A 4 5.007 6.718 -6.870 1.00 0.00 O ATOM 54 CB ALA A 4 2.886 6.352 -9.114 1.00 0.00 C ATOM 0 H ALA A 4 4.543 4.424 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 4 4.767 6.736 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.539 7.381 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.486 5.755 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.542 5.941 -8.165 1.00 0.00 H new ATOM 60 N HIS A 5 5.409 8.357 -8.286 1.00 0.00 N ATOM 61 CA HIS A 5 5.976 9.228 -7.215 1.00 0.00 C ATOM 62 C HIS A 5 4.917 10.231 -6.758 1.00 0.00 C ATOM 63 O HIS A 5 4.489 11.086 -7.510 1.00 0.00 O ATOM 64 CB HIS A 5 7.183 9.980 -7.778 1.00 0.00 C ATOM 65 CG HIS A 5 8.263 8.995 -8.132 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.474 9.387 -8.679 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.326 7.627 -8.026 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.208 8.276 -8.879 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.555 7.176 -8.498 1.00 0.00 N ATOM 0 H HIS A 5 5.398 8.772 -9.218 1.00 0.00 H new ATOM 0 HA HIS A 5 6.282 8.618 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.891 10.550 -8.660 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.554 10.696 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.541 6.997 -7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.204 8.275 -9.297 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.886 6.212 -8.543 1.00 0.00 H new ATOM 77 N TYR A 6 4.487 10.128 -5.527 1.00 0.00 N ATOM 78 CA TYR A 6 3.450 11.064 -5.007 1.00 0.00 C ATOM 79 C TYR A 6 4.120 12.323 -4.466 1.00 0.00 C ATOM 80 O TYR A 6 4.099 13.364 -5.091 1.00 0.00 O ATOM 81 CB TYR A 6 2.671 10.371 -3.889 1.00 0.00 C ATOM 82 CG TYR A 6 1.465 11.203 -3.518 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.427 11.368 -4.441 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.384 11.813 -2.258 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.691 12.140 -4.108 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.266 12.586 -1.925 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.772 12.748 -2.851 1.00 0.00 C ATOM 88 OH TYR A 6 -1.875 13.513 -2.525 1.00 0.00 O ATOM 0 H TYR A 6 4.813 9.431 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 6 2.768 11.343 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.355 9.379 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.311 10.233 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.489 10.899 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.185 11.686 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.492 12.267 -4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.204 13.057 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.774 13.862 -1.615 1.00 0.00 H new ATOM 98 N ARG A 7 4.720 12.230 -3.306 1.00 0.00 N ATOM 99 CA ARG A 7 5.409 13.409 -2.699 1.00 0.00 C ATOM 100 C ARG A 7 6.840 13.016 -2.337 1.00 0.00 C ATOM 101 O ARG A 7 7.290 13.215 -1.227 1.00 0.00 O ATOM 102 CB ARG A 7 4.651 13.851 -1.443 1.00 0.00 C ATOM 103 CG ARG A 7 3.375 14.595 -1.855 1.00 0.00 C ATOM 104 CD ARG A 7 2.557 14.953 -0.610 1.00 0.00 C ATOM 105 NE ARG A 7 1.338 15.710 -1.020 1.00 0.00 N ATOM 106 CZ ARG A 7 0.398 15.966 -0.149 1.00 0.00 C ATOM 107 NH1 ARG A 7 0.515 15.558 1.085 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.662 16.635 -0.515 1.00 0.00 N ATOM 0 H ARG A 7 4.762 11.377 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 7 5.430 14.236 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.399 12.984 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.282 14.498 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.633 15.500 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.781 13.973 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.273 14.047 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.158 15.552 0.074 1.00 0.00 H new ATOM 0 HE ARG A 7 1.238 16.029 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.343 15.037 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.221 15.760 1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.755 16.956 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.397 16.836 0.163 1.00 0.00 H new ATOM 122 N GLY A 8 7.564 12.466 -3.281 1.00 0.00 N ATOM 123 CA GLY A 8 8.976 12.063 -3.013 1.00 0.00 C ATOM 124 C GLY A 8 9.032 10.591 -2.600 1.00 0.00 C ATOM 125 O GLY A 8 10.091 10.059 -2.341 1.00 0.00 O ATOM 0 H GLY A 8 7.235 12.279 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.583 12.222 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.397 12.687 -2.224 1.00 0.00 H new ATOM 129 N TYR A 9 7.900 9.929 -2.534 1.00 0.00 N ATOM 130 CA TYR A 9 7.885 8.486 -2.130 1.00 0.00 C ATOM 131 C TYR A 9 7.471 7.617 -3.314 1.00 0.00 C ATOM 132 O TYR A 9 6.595 7.965 -4.082 1.00 0.00 O ATOM 133 CB TYR A 9 6.893 8.296 -0.985 1.00 0.00 C ATOM 134 CG TYR A 9 7.410 9.014 0.238 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.204 10.391 0.377 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.095 8.303 1.232 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.683 11.058 1.511 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.573 8.971 2.367 1.00 0.00 C ATOM 139 CZ TYR A 9 8.367 10.349 2.506 1.00 0.00 C ATOM 140 OH TYR A 9 8.837 11.006 3.624 1.00 0.00 O ATOM 0 H TYR A 9 6.984 10.327 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 9 8.883 8.191 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.915 8.687 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.763 7.235 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.676 10.939 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.255 7.240 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.525 12.121 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.100 8.423 3.134 1.00 0.00 H new ATOM 0 HH TYR A 9 9.287 10.366 4.215 1.00 0.00 H new ATOM 150 N GLU A 10 8.099 6.483 -3.469 1.00 0.00 N ATOM 151 CA GLU A 10 7.751 5.586 -4.601 1.00 0.00 C ATOM 152 C GLU A 10 6.556 4.724 -4.212 1.00 0.00 C ATOM 153 O GLU A 10 6.410 4.332 -3.069 1.00 0.00 O ATOM 154 CB GLU A 10 8.945 4.686 -4.915 1.00 0.00 C ATOM 155 CG GLU A 10 10.078 5.534 -5.490 1.00 0.00 C ATOM 156 CD GLU A 10 11.301 4.652 -5.743 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.216 3.464 -5.483 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.303 5.182 -6.196 1.00 0.00 O ATOM 0 H GLU A 10 8.840 6.141 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 10 7.501 6.182 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.279 4.177 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.656 3.914 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.758 6.005 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.333 6.336 -4.798 1.00 0.00 H new ATOM 165 N ILE A 11 5.701 4.429 -5.159 1.00 0.00 N ATOM 166 CA ILE A 11 4.498 3.592 -4.875 1.00 0.00 C ATOM 167 C ILE A 11 4.528 2.346 -5.751 1.00 0.00 C ATOM 168 O ILE A 11 4.709 2.424 -6.950 1.00 0.00 O ATOM 169 CB ILE A 11 3.242 4.403 -5.187 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.157 5.578 -4.210 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.006 3.514 -5.036 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.056 6.548 -4.649 1.00 0.00 C ATOM 0 H ILE A 11 5.788 4.737 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 11 4.495 3.296 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 11 3.287 4.777 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.950 5.211 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.115 6.097 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.111 4.095 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.075 2.674 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.950 3.139 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.004 7.380 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.281 6.927 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.098 6.028 -4.667 1.00 0.00 H new ATOM 184 N GLU A 12 4.342 1.197 -5.150 1.00 0.00 N ATOM 185 CA GLU A 12 4.344 -0.083 -5.919 1.00 0.00 C ATOM 186 C GLU A 12 3.049 -0.852 -5.587 1.00 0.00 C ATOM 187 O GLU A 12 2.968 -1.505 -4.564 1.00 0.00 O ATOM 188 CB GLU A 12 5.550 -0.919 -5.507 1.00 0.00 C ATOM 189 CG GLU A 12 5.687 -2.106 -6.463 1.00 0.00 C ATOM 190 CD GLU A 12 6.196 -1.612 -7.818 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.401 -1.525 -7.980 1.00 0.00 O ATOM 192 OE2 GLU A 12 5.371 -1.329 -8.672 1.00 0.00 O ATOM 0 H GLU A 12 4.187 1.092 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 12 4.397 0.120 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.454 -0.311 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.430 -1.273 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.377 -2.842 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.724 -2.603 -6.583 1.00 0.00 H new ATOM 199 N PRO A 13 2.029 -0.759 -6.419 1.00 0.00 N ATOM 200 CA PRO A 13 0.722 -1.441 -6.165 1.00 0.00 C ATOM 201 C PRO A 13 0.764 -2.949 -6.440 1.00 0.00 C ATOM 202 O PRO A 13 1.550 -3.426 -7.231 1.00 0.00 O ATOM 203 CB PRO A 13 -0.241 -0.720 -7.117 1.00 0.00 C ATOM 204 CG PRO A 13 0.607 -0.276 -8.264 1.00 0.00 C ATOM 205 CD PRO A 13 2.006 -0.009 -7.693 1.00 0.00 C ATOM 0 HA PRO A 13 0.427 -1.379 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.038 -1.385 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.718 0.129 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.644 -1.042 -9.039 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.198 0.623 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.786 -0.354 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.173 1.056 -7.531 1.00 0.00 H new ATOM 213 N GLY A 14 -0.085 -3.700 -5.787 1.00 0.00 N ATOM 214 CA GLY A 14 -0.097 -5.171 -6.008 1.00 0.00 C ATOM 215 C GLY A 14 -1.226 -5.802 -5.194 1.00 0.00 C ATOM 216 O GLY A 14 -2.242 -5.183 -4.945 1.00 0.00 O ATOM 0 H GLY A 14 -0.768 -3.356 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.233 -5.389 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.861 -5.601 -5.715 1.00 0.00 H new ATOM 220 N HIS A 15 -1.058 -7.029 -4.775 1.00 0.00 N ATOM 221 CA HIS A 15 -2.126 -7.694 -3.974 1.00 0.00 C ATOM 222 C HIS A 15 -1.497 -8.751 -3.066 1.00 0.00 C ATOM 223 O HIS A 15 -0.515 -9.374 -3.415 1.00 0.00 O ATOM 224 CB HIS A 15 -3.131 -8.366 -4.914 1.00 0.00 C ATOM 225 CG HIS A 15 -2.445 -9.436 -5.724 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.611 -9.142 -6.792 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.474 -10.808 -5.640 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.178 -10.310 -7.304 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.674 -11.356 -6.638 1.00 0.00 N ATOM 0 H HIS A 15 -0.230 -7.597 -4.953 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.640 -6.948 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.946 -8.802 -4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.573 -7.623 -5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.033 -11.375 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.511 -10.391 -8.150 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.503 -12.345 -6.822 1.00 0.00 H new ATOM 237 N GLN A 16 -2.062 -8.965 -1.910 1.00 0.00 N ATOM 238 CA GLN A 16 -1.503 -9.991 -0.989 1.00 0.00 C ATOM 239 C GLN A 16 -2.493 -10.230 0.150 1.00 0.00 C ATOM 240 O GLN A 16 -3.328 -9.392 0.440 1.00 0.00 O ATOM 241 CB GLN A 16 -0.167 -9.514 -0.417 1.00 0.00 C ATOM 242 CG GLN A 16 0.475 -10.654 0.377 1.00 0.00 C ATOM 243 CD GLN A 16 1.885 -10.252 0.803 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.446 -9.312 0.277 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.486 -10.931 1.739 1.00 0.00 N ATOM 0 H GLN A 16 -2.886 -8.473 -1.564 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.338 -10.918 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.495 -9.198 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.322 -8.648 0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.129 -10.884 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.512 -11.558 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.014 -11.720 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.429 -10.673 2.031 1.00 0.00 H new ATOM 254 N TYR A 17 -2.410 -11.372 0.792 1.00 0.00 N ATOM 255 CA TYR A 17 -3.347 -11.689 1.912 1.00 0.00 C ATOM 256 C TYR A 17 -2.594 -11.680 3.242 1.00 0.00 C ATOM 257 O TYR A 17 -1.437 -12.042 3.318 1.00 0.00 O ATOM 258 CB TYR A 17 -3.964 -13.068 1.677 1.00 0.00 C ATOM 259 CG TYR A 17 -2.910 -14.141 1.831 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.109 -14.504 0.741 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.743 -14.779 3.066 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.141 -15.507 0.887 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.774 -15.780 3.212 1.00 0.00 C ATOM 264 CZ TYR A 17 -0.974 -16.144 2.123 1.00 0.00 C ATOM 265 OH TYR A 17 -0.023 -17.134 2.267 1.00 0.00 O ATOM 0 H TYR A 17 -1.728 -12.101 0.585 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.135 -10.937 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.774 -13.238 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.399 -13.115 0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.237 -14.011 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.361 -14.499 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.524 -15.789 0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.644 -16.271 4.165 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.038 -17.470 3.187 1.00 0.00 H new ATOM 275 N ARG A 18 -3.249 -11.258 4.292 1.00 0.00 N ATOM 276 CA ARG A 18 -2.587 -11.209 5.624 1.00 0.00 C ATOM 277 C ARG A 18 -2.926 -12.471 6.415 1.00 0.00 C ATOM 278 O ARG A 18 -4.075 -12.814 6.606 1.00 0.00 O ATOM 279 CB ARG A 18 -3.092 -9.968 6.368 1.00 0.00 C ATOM 280 CG ARG A 18 -2.687 -8.697 5.600 1.00 0.00 C ATOM 281 CD ARG A 18 -1.236 -8.322 5.922 1.00 0.00 C ATOM 282 NE ARG A 18 -0.873 -7.082 5.186 1.00 0.00 N ATOM 283 CZ ARG A 18 0.382 -6.733 5.077 1.00 0.00 C ATOM 284 NH1 ARG A 18 1.315 -7.470 5.614 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.700 -5.647 4.429 1.00 0.00 N ATOM 0 H ARG A 18 -4.219 -10.944 4.281 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.505 -11.155 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.176 -10.011 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.677 -9.943 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.798 -8.860 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.351 -7.875 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.117 -8.170 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.567 -9.135 5.640 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.602 -6.505 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.066 -8.320 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.294 -7.196 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.030 -5.072 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.679 -5.373 4.343 1.00 0.00 H new ATOM 299 N ASP A 19 -1.919 -13.165 6.868 1.00 0.00 N ATOM 300 CA ASP A 19 -2.142 -14.415 7.643 1.00 0.00 C ATOM 301 C ASP A 19 -2.725 -14.080 9.019 1.00 0.00 C ATOM 302 O ASP A 19 -3.331 -14.913 9.663 1.00 0.00 O ATOM 303 CB ASP A 19 -0.801 -15.133 7.808 1.00 0.00 C ATOM 304 CG ASP A 19 0.210 -14.177 8.441 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.127 -13.017 8.614 1.00 0.00 O ATOM 306 OD2 ASP A 19 1.306 -14.619 8.745 1.00 0.00 O ATOM 0 H ASP A 19 -0.940 -12.915 6.732 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.846 -15.058 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.924 -16.017 8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.437 -15.476 6.839 1.00 0.00 H new ATOM 311 N ASP A 20 -2.542 -12.873 9.478 1.00 0.00 N ATOM 312 CA ASP A 20 -3.081 -12.494 10.814 1.00 0.00 C ATOM 313 C ASP A 20 -4.608 -12.606 10.807 1.00 0.00 C ATOM 314 O ASP A 20 -5.208 -13.093 11.746 1.00 0.00 O ATOM 315 CB ASP A 20 -2.683 -11.053 11.127 1.00 0.00 C ATOM 316 CG ASP A 20 -1.186 -10.989 11.430 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.573 -12.041 11.534 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.674 -9.889 11.553 1.00 0.00 O ATOM 0 H ASP A 20 -2.042 -12.133 8.986 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.673 -13.164 11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.921 -10.407 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.253 -10.685 11.980 1.00 0.00 H new ATOM 323 N ILE A 21 -5.237 -12.153 9.749 1.00 0.00 N ATOM 324 CA ILE A 21 -6.727 -12.216 9.644 1.00 0.00 C ATOM 325 C ILE A 21 -7.103 -13.125 8.469 1.00 0.00 C ATOM 326 O ILE A 21 -8.257 -13.436 8.258 1.00 0.00 O ATOM 327 CB ILE A 21 -7.270 -10.797 9.423 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.629 -10.180 8.174 1.00 0.00 C ATOM 329 CG2 ILE A 21 -6.933 -9.928 10.638 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.272 -8.821 7.883 1.00 0.00 C ATOM 0 H ILE A 21 -4.772 -11.736 8.942 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.160 -12.622 10.558 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.351 -10.847 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.556 -10.061 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.759 -10.845 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.318 -8.920 10.482 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.389 -10.357 11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.851 -9.887 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.815 -8.385 6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.341 -8.953 7.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.119 -8.157 8.733 1.00 0.00 H new ATOM 342 N ARG A 22 -6.126 -13.552 7.711 1.00 0.00 N ATOM 343 CA ARG A 22 -6.393 -14.446 6.547 1.00 0.00 C ATOM 344 C ARG A 22 -7.402 -13.793 5.607 1.00 0.00 C ATOM 345 O ARG A 22 -8.442 -14.347 5.311 1.00 0.00 O ATOM 346 CB ARG A 22 -6.922 -15.800 7.046 1.00 0.00 C ATOM 347 CG ARG A 22 -5.833 -16.523 7.859 1.00 0.00 C ATOM 348 CD ARG A 22 -4.865 -17.263 6.920 1.00 0.00 C ATOM 349 NE ARG A 22 -3.809 -17.940 7.728 1.00 0.00 N ATOM 350 CZ ARG A 22 -2.627 -18.172 7.212 1.00 0.00 C ATOM 351 NH1 ARG A 22 -2.361 -17.813 5.985 1.00 0.00 N ATOM 352 NH2 ARG A 22 -1.711 -18.767 7.927 1.00 0.00 N ATOM 0 H ARG A 22 -5.144 -13.316 7.852 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.466 -14.610 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.808 -15.649 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.225 -16.416 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.283 -15.802 8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.294 -17.231 8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.409 -17.996 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.410 -16.560 6.222 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.008 -18.224 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.075 -17.349 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.439 -17.996 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.916 -19.050 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.790 -18.949 7.527 1.00 0.00 H new ATOM 366 N LYS A 23 -7.093 -12.617 5.123 1.00 0.00 N ATOM 367 CA LYS A 23 -8.019 -11.915 4.187 1.00 0.00 C ATOM 368 C LYS A 23 -7.213 -11.150 3.139 1.00 0.00 C ATOM 369 O LYS A 23 -6.047 -10.862 3.323 1.00 0.00 O ATOM 370 CB LYS A 23 -8.896 -10.936 4.962 1.00 0.00 C ATOM 371 CG LYS A 23 -9.898 -11.719 5.807 1.00 0.00 C ATOM 372 CD LYS A 23 -10.773 -10.744 6.590 1.00 0.00 C ATOM 373 CE LYS A 23 -11.781 -11.529 7.428 1.00 0.00 C ATOM 374 NZ LYS A 23 -12.612 -10.577 8.217 1.00 0.00 N ATOM 0 H LYS A 23 -6.234 -12.111 5.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.650 -12.654 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.279 -10.304 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.422 -10.276 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.518 -12.347 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.372 -12.383 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.154 -10.120 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.295 -10.075 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.416 -12.134 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.260 -12.215 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.300 -11.108 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.999 -10.018 8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.119 -9.940 7.570 1.00 0.00 H new ATOM 388 N TYR A 24 -7.834 -10.821 2.039 1.00 0.00 N ATOM 389 CA TYR A 24 -7.123 -10.077 0.966 1.00 0.00 C ATOM 390 C TYR A 24 -7.286 -8.579 1.196 1.00 0.00 C ATOM 391 O TYR A 24 -8.385 -8.090 1.376 1.00 0.00 O ATOM 392 CB TYR A 24 -7.735 -10.449 -0.382 1.00 0.00 C ATOM 393 CG TYR A 24 -7.400 -11.885 -0.694 1.00 0.00 C ATOM 394 CD1 TYR A 24 -6.221 -12.193 -1.378 1.00 0.00 C ATOM 395 CD2 TYR A 24 -8.268 -12.909 -0.295 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.905 -13.525 -1.665 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.953 -14.243 -0.582 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.772 -14.551 -1.267 1.00 0.00 C ATOM 399 OH TYR A 24 -6.461 -15.865 -1.550 1.00 0.00 O ATOM 0 H TYR A 24 -8.810 -11.038 1.838 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.064 -10.333 0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.816 -10.312 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.350 -9.794 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.553 -11.402 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.179 -12.670 0.233 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.993 -13.762 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.621 -15.034 -0.275 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.167 -16.450 -1.204 1.00 0.00 H new ATOM 409 N VAL A 25 -6.201 -7.840 1.185 1.00 0.00 N ATOM 410 CA VAL A 25 -6.299 -6.366 1.400 1.00 0.00 C ATOM 411 C VAL A 25 -5.294 -5.646 0.489 1.00 0.00 C ATOM 412 O VAL A 25 -4.240 -6.173 0.190 1.00 0.00 O ATOM 413 CB VAL A 25 -5.981 -6.041 2.860 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.137 -6.503 3.744 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.700 -6.761 3.283 1.00 0.00 C ATOM 0 H VAL A 25 -5.256 -8.195 1.037 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.309 -6.033 1.163 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.842 -4.965 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.913 -6.273 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.051 -5.988 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.274 -7.579 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.478 -6.526 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.835 -7.837 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.873 -6.433 2.653 1.00 0.00 H new ATOM 425 N PRO A 26 -5.605 -4.446 0.055 1.00 0.00 N ATOM 426 CA PRO A 26 -4.698 -3.658 -0.824 1.00 0.00 C ATOM 427 C PRO A 26 -3.239 -3.776 -0.376 1.00 0.00 C ATOM 428 O PRO A 26 -2.861 -3.264 0.656 1.00 0.00 O ATOM 429 CB PRO A 26 -5.204 -2.217 -0.662 1.00 0.00 C ATOM 430 CG PRO A 26 -6.659 -2.344 -0.320 1.00 0.00 C ATOM 431 CD PRO A 26 -6.848 -3.713 0.350 1.00 0.00 C ATOM 0 HA PRO A 26 -4.713 -4.005 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.659 -1.695 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.064 -1.646 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.969 -1.542 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.274 -2.266 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.002 -3.611 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.719 -4.233 -0.049 1.00 0.00 H new ATOM 439 N TYR A 27 -2.420 -4.450 -1.140 1.00 0.00 N ATOM 440 CA TYR A 27 -0.988 -4.607 -0.753 1.00 0.00 C ATOM 441 C TYR A 27 -0.126 -3.670 -1.598 1.00 0.00 C ATOM 442 O TYR A 27 -0.052 -3.804 -2.804 1.00 0.00 O ATOM 443 CB TYR A 27 -0.572 -6.056 -1.011 1.00 0.00 C ATOM 444 CG TYR A 27 0.785 -6.307 -0.399 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.902 -6.502 0.982 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.925 -6.346 -1.211 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.158 -6.735 1.553 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.182 -6.579 -0.640 1.00 0.00 C ATOM 449 CZ TYR A 27 3.298 -6.774 0.742 1.00 0.00 C ATOM 450 OH TYR A 27 4.538 -7.004 1.304 1.00 0.00 O ATOM 0 H TYR A 27 -2.682 -4.899 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.855 -4.361 0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.307 -6.738 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.541 -6.251 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.022 -6.473 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.835 -6.196 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.248 -6.885 2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.062 -6.608 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 27 5.221 -7.000 0.602 1.00 0.00 H new ATOM 460 N ALA A 28 0.532 -2.726 -0.974 1.00 0.00 N ATOM 461 CA ALA A 28 1.401 -1.781 -1.740 1.00 0.00 C ATOM 462 C ALA A 28 2.682 -1.534 -0.941 1.00 0.00 C ATOM 463 O ALA A 28 2.662 -1.477 0.273 1.00 0.00 O ATOM 464 CB ALA A 28 0.634 -0.457 -1.964 1.00 0.00 C ATOM 0 H ALA A 28 0.505 -2.569 0.033 1.00 0.00 H new ATOM 0 HA ALA A 28 1.663 -2.202 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.262 0.237 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.278 -0.655 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.376 -0.018 -1.000 1.00 0.00 H new ATOM 470 N LEU A 29 3.795 -1.383 -1.617 1.00 0.00 N ATOM 471 CA LEU A 29 5.087 -1.136 -0.911 1.00 0.00 C ATOM 472 C LEU A 29 5.521 0.300 -1.179 1.00 0.00 C ATOM 473 O LEU A 29 5.539 0.751 -2.307 1.00 0.00 O ATOM 474 CB LEU A 29 6.144 -2.100 -1.450 1.00 0.00 C ATOM 475 CG LEU A 29 5.616 -3.533 -1.360 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.677 -4.500 -1.890 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.277 -3.875 0.099 1.00 0.00 C ATOM 0 H LEU A 29 3.862 -1.421 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 29 4.968 -1.293 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.384 -1.853 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.066 -2.004 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 29 4.712 -3.624 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.302 -5.522 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.902 -4.260 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.584 -4.408 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.902 -4.897 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.174 -3.783 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.515 -3.188 0.466 1.00 0.00 H new ATOM 489 N ILE A 30 5.864 1.020 -0.141 1.00 0.00 N ATOM 490 CA ILE A 30 6.295 2.441 -0.303 1.00 0.00 C ATOM 491 C ILE A 30 7.774 2.567 0.051 1.00 0.00 C ATOM 492 O ILE A 30 8.216 2.100 1.081 1.00 0.00 O ATOM 493 CB ILE A 30 5.472 3.324 0.637 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.007 3.300 0.191 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.000 4.757 0.581 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.129 3.929 1.272 1.00 0.00 C ATOM 0 H ILE A 30 5.864 0.680 0.821 1.00 0.00 H new ATOM 0 HA ILE A 30 6.141 2.756 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 30 5.551 2.950 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.893 3.845 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.691 2.274 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.414 5.387 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.045 4.772 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.918 5.135 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.087 3.910 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.233 3.365 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.439 4.961 1.438 1.00 0.00 H new ATOM 508 N ARG A 31 8.539 3.207 -0.801 1.00 0.00 N ATOM 509 CA ARG A 31 10.000 3.388 -0.531 1.00 0.00 C ATOM 510 C ARG A 31 10.363 4.860 -0.695 1.00 0.00 C ATOM 511 O ARG A 31 10.000 5.497 -1.663 1.00 0.00 O ATOM 512 CB ARG A 31 10.809 2.553 -1.526 1.00 0.00 C ATOM 513 CG ARG A 31 10.673 1.067 -1.186 1.00 0.00 C ATOM 514 CD ARG A 31 11.443 0.244 -2.221 1.00 0.00 C ATOM 515 NE ARG A 31 11.366 -1.205 -1.868 1.00 0.00 N ATOM 516 CZ ARG A 31 10.380 -1.946 -2.304 1.00 0.00 C ATOM 517 NH1 ARG A 31 9.444 -1.428 -3.052 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.334 -3.212 -1.989 1.00 0.00 N ATOM 0 H ARG A 31 8.211 3.614 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 31 10.227 3.065 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.456 2.737 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.858 2.848 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.062 0.873 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.622 0.777 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.026 0.409 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.484 0.566 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 31 12.089 -1.621 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.478 -0.439 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.678 -2.012 -3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.065 -3.619 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.567 -3.794 -2.326 1.00 0.00 H new ATOM 532 N LYS A 32 11.078 5.407 0.251 1.00 0.00 N ATOM 533 CA LYS A 32 11.468 6.840 0.160 1.00 0.00 C ATOM 534 C LYS A 32 12.727 6.976 -0.697 1.00 0.00 C ATOM 535 O LYS A 32 13.644 6.183 -0.604 1.00 0.00 O ATOM 536 CB LYS A 32 11.736 7.375 1.566 1.00 0.00 C ATOM 537 CG LYS A 32 12.045 8.872 1.492 1.00 0.00 C ATOM 538 CD LYS A 32 12.206 9.429 2.908 1.00 0.00 C ATOM 539 CE LYS A 32 12.482 10.932 2.838 1.00 0.00 C ATOM 540 NZ LYS A 32 13.744 11.170 2.081 1.00 0.00 N ATOM 0 H LYS A 32 11.409 4.920 1.084 1.00 0.00 H new ATOM 0 HA LYS A 32 10.663 7.413 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.869 7.203 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.573 6.842 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.957 9.038 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.242 9.395 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.303 9.241 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.025 8.922 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.651 11.443 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.565 11.345 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.114 12.115 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.447 10.450 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.553 11.112 1.060 1.00 0.00 H new ATOM 554 N VAL A 33 12.772 7.971 -1.538 1.00 0.00 N ATOM 555 CA VAL A 33 13.960 8.161 -2.415 1.00 0.00 C ATOM 556 C VAL A 33 15.183 8.545 -1.579 1.00 0.00 C ATOM 557 O VAL A 33 15.121 9.400 -0.718 1.00 0.00 O ATOM 558 CB VAL A 33 13.657 9.266 -3.425 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.915 9.586 -4.235 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.550 8.793 -4.367 1.00 0.00 C ATOM 0 H VAL A 33 12.033 8.664 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 33 14.177 7.229 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 33 13.334 10.163 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.694 10.375 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.706 9.919 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.243 8.692 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.329 9.577 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.878 7.896 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.653 8.568 -3.790 1.00 0.00 H new ATOM 570 N GLY A 34 16.304 7.915 -1.841 1.00 0.00 N ATOM 571 CA GLY A 34 17.553 8.222 -1.083 1.00 0.00 C ATOM 572 C GLY A 34 17.784 7.137 -0.036 1.00 0.00 C ATOM 573 O GLY A 34 18.864 7.001 0.501 1.00 0.00 O ATOM 0 H GLY A 34 16.405 7.194 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.402 8.274 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.470 9.197 -0.602 1.00 0.00 H new ATOM 577 N VAL A 35 16.778 6.355 0.255 1.00 0.00 N ATOM 578 CA VAL A 35 16.939 5.271 1.264 1.00 0.00 C ATOM 579 C VAL A 35 15.943 4.142 0.971 1.00 0.00 C ATOM 580 O VAL A 35 15.178 3.741 1.827 1.00 0.00 O ATOM 581 CB VAL A 35 16.691 5.832 2.671 1.00 0.00 C ATOM 582 CG1 VAL A 35 17.794 6.831 3.034 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.333 6.543 2.717 1.00 0.00 C ATOM 0 H VAL A 35 15.851 6.422 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 35 17.954 4.877 1.211 1.00 0.00 H new ATOM 0 HB VAL A 35 16.695 5.008 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.613 7.226 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.761 6.329 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.794 7.650 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.163 6.939 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.326 7.362 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.543 5.835 2.468 1.00 0.00 H new ATOM 593 N PRO A 36 15.964 3.622 -0.229 1.00 0.00 N ATOM 594 CA PRO A 36 15.057 2.506 -0.639 1.00 0.00 C ATOM 595 C PRO A 36 15.383 1.208 0.114 1.00 0.00 C ATOM 596 O PRO A 36 14.592 0.287 0.162 1.00 0.00 O ATOM 597 CB PRO A 36 15.314 2.349 -2.154 1.00 0.00 C ATOM 598 CG PRO A 36 16.658 2.966 -2.402 1.00 0.00 C ATOM 599 CD PRO A 36 16.855 4.040 -1.326 1.00 0.00 C ATOM 0 HA PRO A 36 14.013 2.719 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.305 1.299 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.540 2.849 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 36 17.445 2.214 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.705 3.404 -3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.893 4.090 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.591 5.030 -1.698 1.00 0.00 H new ATOM 607 N ASP A 37 16.550 1.134 0.692 1.00 0.00 N ATOM 608 CA ASP A 37 16.952 -0.094 1.435 1.00 0.00 C ATOM 609 C ASP A 37 16.095 -0.257 2.704 1.00 0.00 C ATOM 610 O ASP A 37 14.891 -0.097 2.681 1.00 0.00 O ATOM 611 CB ASP A 37 18.424 0.035 1.832 1.00 0.00 C ATOM 612 CG ASP A 37 19.286 0.169 0.574 1.00 0.00 C ATOM 613 OD1 ASP A 37 18.865 -0.310 -0.464 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.354 0.751 0.676 1.00 0.00 O ATOM 0 H ASP A 37 17.248 1.878 0.681 1.00 0.00 H new ATOM 0 HA ASP A 37 16.804 -0.967 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.563 0.905 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.734 -0.838 2.406 1.00 0.00 H new ATOM 619 N ARG A 38 16.723 -0.579 3.810 1.00 0.00 N ATOM 620 CA ARG A 38 15.993 -0.761 5.101 1.00 0.00 C ATOM 621 C ARG A 38 14.835 -1.740 4.942 1.00 0.00 C ATOM 622 O ARG A 38 14.561 -2.238 3.868 1.00 0.00 O ATOM 623 CB ARG A 38 15.462 0.583 5.601 1.00 0.00 C ATOM 624 CG ARG A 38 16.623 1.568 5.800 1.00 0.00 C ATOM 625 CD ARG A 38 17.336 1.290 7.132 1.00 0.00 C ATOM 626 NE ARG A 38 18.387 2.322 7.353 1.00 0.00 N ATOM 627 CZ ARG A 38 18.069 3.490 7.840 1.00 0.00 C ATOM 628 NH1 ARG A 38 16.826 3.768 8.120 1.00 0.00 N ATOM 629 NH2 ARG A 38 18.999 4.381 8.046 1.00 0.00 N ATOM 0 H ARG A 38 17.731 -0.726 3.871 1.00 0.00 H new ATOM 0 HA ARG A 38 16.695 -1.168 5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.748 0.990 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.927 0.445 6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.330 1.478 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.247 2.591 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.618 1.304 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.783 0.296 7.118 1.00 0.00 H new ATOM 0 HE ARG A 38 19.359 2.115 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.099 3.071 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.581 4.682 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 38 19.971 4.164 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.754 5.295 8.427 1.00 0.00 H new ATOM 643 N THR A 39 14.165 -2.038 6.023 1.00 0.00 N ATOM 644 CA THR A 39 13.042 -3.005 5.955 1.00 0.00 C ATOM 645 C THR A 39 11.827 -2.355 5.260 1.00 0.00 C ATOM 646 O THR A 39 11.446 -1.248 5.591 1.00 0.00 O ATOM 647 CB THR A 39 12.664 -3.434 7.374 1.00 0.00 C ATOM 648 OG1 THR A 39 13.826 -3.909 8.036 1.00 0.00 O ATOM 649 CG2 THR A 39 11.620 -4.551 7.319 1.00 0.00 C ATOM 0 H THR A 39 14.350 -1.651 6.948 1.00 0.00 H new ATOM 0 HA THR A 39 13.348 -3.878 5.379 1.00 0.00 H new ATOM 0 HB THR A 39 12.248 -2.583 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.594 -4.185 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.355 -4.852 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.730 -4.192 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.030 -5.406 6.782 1.00 0.00 H new ATOM 657 N PRO A 40 11.219 -3.027 4.298 1.00 0.00 N ATOM 658 CA PRO A 40 10.039 -2.473 3.563 1.00 0.00 C ATOM 659 C PRO A 40 8.787 -2.382 4.443 1.00 0.00 C ATOM 660 O PRO A 40 8.507 -3.266 5.229 1.00 0.00 O ATOM 661 CB PRO A 40 9.830 -3.459 2.400 1.00 0.00 C ATOM 662 CG PRO A 40 10.441 -4.747 2.857 1.00 0.00 C ATOM 663 CD PRO A 40 11.579 -4.373 3.811 1.00 0.00 C ATOM 0 HA PRO A 40 10.215 -1.450 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.771 -3.584 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.308 -3.099 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.702 -5.370 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.817 -5.320 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.660 -5.085 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.541 -4.367 3.299 1.00 0.00 H new ATOM 671 N ILE A 41 8.023 -1.322 4.296 1.00 0.00 N ATOM 672 CA ILE A 41 6.778 -1.154 5.104 1.00 0.00 C ATOM 673 C ILE A 41 5.559 -1.189 4.165 1.00 0.00 C ATOM 674 O ILE A 41 5.286 -0.229 3.468 1.00 0.00 O ATOM 675 CB ILE A 41 6.832 0.186 5.839 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.132 0.267 6.660 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.624 0.304 6.773 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.273 -0.962 7.578 1.00 0.00 C ATOM 0 H ILE A 41 8.214 -0.562 3.644 1.00 0.00 H new ATOM 0 HA ILE A 41 6.694 -1.960 5.833 1.00 0.00 H new ATOM 0 HB ILE A 41 6.810 1.001 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.989 0.326 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.133 1.177 7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.661 1.259 7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.706 0.247 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.644 -0.509 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.198 -0.885 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.426 -1.004 8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.295 -1.868 6.972 1.00 0.00 H new ATOM 690 N PRO A 42 4.835 -2.294 4.124 1.00 0.00 N ATOM 691 CA PRO A 42 3.651 -2.432 3.230 1.00 0.00 C ATOM 692 C PRO A 42 2.456 -1.617 3.729 1.00 0.00 C ATOM 693 O PRO A 42 2.241 -1.482 4.917 1.00 0.00 O ATOM 694 CB PRO A 42 3.354 -3.946 3.238 1.00 0.00 C ATOM 695 CG PRO A 42 3.921 -4.465 4.523 1.00 0.00 C ATOM 696 CD PRO A 42 5.057 -3.515 4.927 1.00 0.00 C ATOM 0 HA PRO A 42 3.843 -2.049 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.282 -4.135 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.812 -4.439 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.154 -4.500 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.294 -5.481 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.029 -3.296 5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.032 -3.954 4.717 1.00 0.00 H new ATOM 704 N THR A 43 1.676 -1.074 2.824 1.00 0.00 N ATOM 705 CA THR A 43 0.489 -0.263 3.226 1.00 0.00 C ATOM 706 C THR A 43 -0.788 -1.039 2.910 1.00 0.00 C ATOM 707 O THR A 43 -0.915 -1.655 1.863 1.00 0.00 O ATOM 708 CB THR A 43 0.485 1.062 2.454 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.850 1.530 2.343 1.00 0.00 O ATOM 710 CG2 THR A 43 1.075 0.859 1.057 1.00 0.00 C ATOM 0 H THR A 43 1.815 -1.160 1.817 1.00 0.00 H new ATOM 0 HA THR A 43 0.537 -0.058 4.296 1.00 0.00 H new ATOM 0 HB THR A 43 1.091 1.793 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.039 1.760 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.067 1.806 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.100 0.499 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.478 0.127 0.513 1.00 0.00 H new ATOM 718 N THR A 44 -1.732 -1.012 3.819 1.00 0.00 N ATOM 719 CA THR A 44 -3.021 -1.736 3.616 1.00 0.00 C ATOM 720 C THR A 44 -4.165 -0.858 4.090 1.00 0.00 C ATOM 721 O THR A 44 -3.952 0.140 4.749 1.00 0.00 O ATOM 722 CB THR A 44 -3.024 -3.029 4.429 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.020 -2.718 5.818 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.788 -3.852 4.078 1.00 0.00 C ATOM 0 H THR A 44 -1.661 -0.511 4.705 1.00 0.00 H new ATOM 0 HA THR A 44 -3.138 -1.970 2.558 1.00 0.00 H new ATOM 0 HB THR A 44 -3.918 -3.606 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.024 -3.548 6.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.789 -4.775 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.800 -4.091 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.891 -3.278 4.311 1.00 0.00 H new ATOM 732 N TYR A 45 -5.381 -1.225 3.767 1.00 0.00 N ATOM 733 CA TYR A 45 -6.553 -0.415 4.206 1.00 0.00 C ATOM 734 C TYR A 45 -7.604 -1.354 4.841 1.00 0.00 C ATOM 735 O TYR A 45 -7.832 -2.444 4.350 1.00 0.00 O ATOM 736 CB TYR A 45 -7.155 0.306 2.979 1.00 0.00 C ATOM 737 CG TYR A 45 -7.764 1.628 3.407 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.946 2.621 3.962 1.00 0.00 C ATOM 739 CD2 TYR A 45 -9.138 1.857 3.261 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.498 3.837 4.370 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.692 3.077 3.674 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.869 4.067 4.227 1.00 0.00 C ATOM 743 OH TYR A 45 -9.413 5.267 4.639 1.00 0.00 O ATOM 0 H TYR A 45 -5.610 -2.053 3.217 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.245 0.328 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.381 0.477 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.915 -0.321 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.886 2.446 4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.770 1.094 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.865 4.601 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.752 3.253 3.566 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.378 5.265 4.468 1.00 0.00 H new ATOM 753 N PRO A 46 -8.250 -0.939 5.913 1.00 0.00 N ATOM 754 CA PRO A 46 -9.294 -1.769 6.584 1.00 0.00 C ATOM 755 C PRO A 46 -10.240 -2.436 5.573 1.00 0.00 C ATOM 756 O PRO A 46 -10.799 -3.485 5.828 1.00 0.00 O ATOM 757 CB PRO A 46 -10.064 -0.749 7.436 1.00 0.00 C ATOM 758 CG PRO A 46 -9.077 0.332 7.755 1.00 0.00 C ATOM 759 CD PRO A 46 -8.052 0.349 6.612 1.00 0.00 C ATOM 0 HA PRO A 46 -8.860 -2.587 7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.921 -0.350 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.450 -1.209 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.576 1.297 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.588 0.139 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.219 1.193 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.035 0.441 6.993 1.00 0.00 H new ATOM 767 N GLU A 47 -10.426 -1.828 4.434 1.00 0.00 N ATOM 768 CA GLU A 47 -11.338 -2.414 3.413 1.00 0.00 C ATOM 769 C GLU A 47 -10.773 -3.737 2.900 1.00 0.00 C ATOM 770 O GLU A 47 -9.593 -4.003 3.014 1.00 0.00 O ATOM 771 CB GLU A 47 -11.479 -1.436 2.246 1.00 0.00 C ATOM 772 CG GLU A 47 -12.268 -0.202 2.693 1.00 0.00 C ATOM 773 CD GLU A 47 -13.709 -0.605 3.017 1.00 0.00 C ATOM 774 OE1 GLU A 47 -14.137 -1.636 2.528 1.00 0.00 O ATOM 775 OE2 GLU A 47 -14.357 0.124 3.751 1.00 0.00 O ATOM 0 H GLU A 47 -9.984 -0.948 4.166 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.313 -2.597 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.493 -1.138 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.987 -1.921 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.799 0.245 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.259 0.553 1.907 1.00 0.00 H new ATOM 782 N PHE A 48 -11.618 -4.575 2.341 1.00 0.00 N ATOM 783 CA PHE A 48 -11.156 -5.897 1.820 1.00 0.00 C ATOM 784 C PHE A 48 -11.599 -6.052 0.364 1.00 0.00 C ATOM 785 O PHE A 48 -12.638 -5.561 -0.033 1.00 0.00 O ATOM 786 CB PHE A 48 -11.794 -7.005 2.660 1.00 0.00 C ATOM 787 CG PHE A 48 -11.477 -6.775 4.117 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.262 -7.216 4.648 1.00 0.00 C ATOM 789 CD2 PHE A 48 -12.404 -6.120 4.938 1.00 0.00 C ATOM 790 CE1 PHE A 48 -9.968 -7.000 5.999 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.111 -5.904 6.290 1.00 0.00 C ATOM 792 CZ PHE A 48 -10.893 -6.346 6.821 1.00 0.00 C ATOM 0 H PHE A 48 -12.615 -4.394 2.224 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.069 -5.960 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.873 -7.015 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.418 -7.978 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.549 -7.724 4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.344 -5.782 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.027 -7.338 6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.824 -5.397 6.923 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.667 -6.182 7.864 1.00 0.00 H new ATOM 802 N TYR A 49 -10.822 -6.740 -0.435 1.00 0.00 N ATOM 803 CA TYR A 49 -11.207 -6.928 -1.865 1.00 0.00 C ATOM 804 C TYR A 49 -10.607 -8.230 -2.396 1.00 0.00 C ATOM 805 O TYR A 49 -9.405 -8.375 -2.509 1.00 0.00 O ATOM 806 CB TYR A 49 -10.689 -5.752 -2.695 1.00 0.00 C ATOM 807 CG TYR A 49 -11.359 -4.480 -2.231 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.713 -4.264 -2.511 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.629 -3.519 -1.521 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.337 -3.087 -2.079 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.252 -2.344 -1.090 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.607 -2.127 -1.368 1.00 0.00 C ATOM 813 OH TYR A 49 -13.223 -0.968 -0.943 1.00 0.00 O ATOM 0 H TYR A 49 -9.942 -7.177 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.293 -6.975 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.607 -5.666 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.894 -5.920 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.276 -5.004 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.584 -3.686 -1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.382 -2.920 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.688 -1.603 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.575 -0.410 -0.464 1.00 0.00 H new ATOM 823 N ASP A 50 -11.442 -9.174 -2.730 1.00 0.00 N ATOM 824 CA ASP A 50 -10.950 -10.470 -3.269 1.00 0.00 C ATOM 825 C ASP A 50 -10.405 -10.253 -4.683 1.00 0.00 C ATOM 826 O ASP A 50 -9.481 -10.910 -5.114 1.00 0.00 O ATOM 827 CB ASP A 50 -12.115 -11.460 -3.316 1.00 0.00 C ATOM 828 CG ASP A 50 -11.598 -12.865 -3.635 1.00 0.00 C ATOM 829 OD1 ASP A 50 -10.423 -12.991 -3.935 1.00 0.00 O ATOM 830 OD2 ASP A 50 -12.391 -13.791 -3.574 1.00 0.00 O ATOM 0 H ASP A 50 -12.456 -9.101 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.158 -10.864 -2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.637 -11.465 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.836 -11.149 -4.072 1.00 0.00 H new ATOM 835 N LEU A 51 -10.996 -9.346 -5.412 1.00 0.00 N ATOM 836 CA LEU A 51 -10.545 -9.091 -6.807 1.00 0.00 C ATOM 837 C LEU A 51 -9.168 -8.424 -6.807 1.00 0.00 C ATOM 838 O LEU A 51 -8.906 -7.507 -6.054 1.00 0.00 O ATOM 839 CB LEU A 51 -11.559 -8.174 -7.496 1.00 0.00 C ATOM 840 CG LEU A 51 -12.955 -8.807 -7.427 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.978 -7.857 -8.060 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.962 -10.150 -8.181 1.00 0.00 C ATOM 0 H LEU A 51 -11.776 -8.768 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.473 -10.038 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.567 -7.197 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.272 -8.014 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.217 -8.984 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.970 -8.306 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.981 -6.911 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.712 -7.677 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.957 -10.592 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.695 -9.983 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.239 -10.827 -7.726 1.00 0.00 H new ATOM 854 N GLU A 52 -8.286 -8.885 -7.655 1.00 0.00 N ATOM 855 CA GLU A 52 -6.921 -8.291 -7.727 1.00 0.00 C ATOM 856 C GLU A 52 -6.995 -6.902 -8.365 1.00 0.00 C ATOM 857 O GLU A 52 -6.328 -5.979 -7.945 1.00 0.00 O ATOM 858 CB GLU A 52 -6.030 -9.193 -8.582 1.00 0.00 C ATOM 859 CG GLU A 52 -4.607 -8.631 -8.609 1.00 0.00 C ATOM 860 CD GLU A 52 -3.697 -9.564 -9.411 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.221 -10.461 -10.053 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.496 -9.368 -9.367 1.00 0.00 O ATOM 0 H GLU A 52 -8.455 -9.653 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.508 -8.204 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.025 -10.205 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.426 -9.257 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.607 -7.636 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.229 -8.524 -7.592 1.00 0.00 H new ATOM 869 N ALA A 53 -7.790 -6.753 -9.388 1.00 0.00 N ATOM 870 CA ALA A 53 -7.898 -5.435 -10.071 1.00 0.00 C ATOM 871 C ALA A 53 -8.343 -4.368 -9.068 1.00 0.00 C ATOM 872 O ALA A 53 -7.796 -3.285 -9.015 1.00 0.00 O ATOM 873 CB ALA A 53 -8.932 -5.539 -11.190 1.00 0.00 C ATOM 0 H ALA A 53 -8.372 -7.492 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.928 -5.157 -10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.018 -4.578 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.619 -6.299 -11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.898 -5.815 -10.768 1.00 0.00 H new ATOM 879 N ASP A 54 -9.334 -4.666 -8.277 1.00 0.00 N ATOM 880 CA ASP A 54 -9.821 -3.676 -7.281 1.00 0.00 C ATOM 881 C ASP A 54 -8.715 -3.388 -6.262 1.00 0.00 C ATOM 882 O ASP A 54 -8.535 -2.268 -5.827 1.00 0.00 O ATOM 883 CB ASP A 54 -11.043 -4.247 -6.566 1.00 0.00 C ATOM 884 CG ASP A 54 -11.582 -3.222 -5.570 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.930 -2.209 -5.380 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.640 -3.467 -5.015 1.00 0.00 O ATOM 0 H ASP A 54 -9.830 -5.558 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.093 -2.749 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.814 -4.503 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.776 -5.167 -6.047 1.00 0.00 H new ATOM 891 N ALA A 55 -7.977 -4.393 -5.876 1.00 0.00 N ATOM 892 CA ALA A 55 -6.887 -4.183 -4.885 1.00 0.00 C ATOM 893 C ALA A 55 -5.828 -3.253 -5.481 1.00 0.00 C ATOM 894 O ALA A 55 -5.276 -2.410 -4.802 1.00 0.00 O ATOM 895 CB ALA A 55 -6.247 -5.531 -4.552 1.00 0.00 C ATOM 0 H ALA A 55 -8.083 -5.352 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.296 -3.734 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.447 -5.385 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.000 -6.198 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.837 -5.973 -5.460 1.00 0.00 H new ATOM 901 N GLU A 56 -5.541 -3.401 -6.745 1.00 0.00 N ATOM 902 CA GLU A 56 -4.518 -2.529 -7.388 1.00 0.00 C ATOM 903 C GLU A 56 -5.004 -1.076 -7.389 1.00 0.00 C ATOM 904 O GLU A 56 -4.273 -0.167 -7.050 1.00 0.00 O ATOM 905 CB GLU A 56 -4.301 -2.995 -8.829 1.00 0.00 C ATOM 906 CG GLU A 56 -3.600 -4.356 -8.833 1.00 0.00 C ATOM 907 CD GLU A 56 -3.455 -4.852 -10.272 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.878 -4.142 -11.170 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.922 -5.936 -10.454 1.00 0.00 O ATOM 0 H GLU A 56 -5.972 -4.090 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.582 -2.593 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.258 -3.067 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.700 -2.264 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.619 -4.273 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.173 -5.074 -8.246 1.00 0.00 H new ATOM 916 N ARG A 57 -6.233 -0.853 -7.769 1.00 0.00 N ATOM 917 CA ARG A 57 -6.770 0.536 -7.795 1.00 0.00 C ATOM 918 C ARG A 57 -6.807 1.100 -6.371 1.00 0.00 C ATOM 919 O ARG A 57 -6.428 2.232 -6.124 1.00 0.00 O ATOM 920 CB ARG A 57 -8.191 0.499 -8.365 1.00 0.00 C ATOM 921 CG ARG A 57 -8.137 0.190 -9.865 1.00 0.00 C ATOM 922 CD ARG A 57 -9.560 0.023 -10.409 1.00 0.00 C ATOM 923 NE ARG A 57 -10.315 1.302 -10.248 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.245 2.232 -11.163 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.503 2.061 -12.224 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.923 3.339 -11.016 1.00 0.00 N ATOM 0 H ARG A 57 -6.890 -1.576 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.134 1.169 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.781 -0.258 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.685 1.456 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.627 0.995 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.562 -0.720 -10.038 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.526 -0.260 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.070 -0.781 -9.878 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.889 1.450 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.974 1.197 -12.342 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.453 2.791 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.504 3.475 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.871 4.067 -11.728 1.00 0.00 H new ATOM 940 N VAL A 58 -7.263 0.318 -5.435 1.00 0.00 N ATOM 941 CA VAL A 58 -7.332 0.785 -4.025 1.00 0.00 C ATOM 942 C VAL A 58 -5.918 0.977 -3.474 1.00 0.00 C ATOM 943 O VAL A 58 -5.641 1.928 -2.771 1.00 0.00 O ATOM 944 CB VAL A 58 -8.077 -0.254 -3.186 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.034 0.148 -1.712 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.533 -0.328 -3.649 1.00 0.00 C ATOM 0 H VAL A 58 -7.594 -0.634 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.862 1.736 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.602 -1.227 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.566 -0.594 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.997 0.204 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.508 1.121 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.067 -1.068 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.004 0.647 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.566 -0.616 -4.700 1.00 0.00 H new ATOM 956 N SER A 59 -5.029 0.071 -3.767 1.00 0.00 N ATOM 957 CA SER A 59 -3.642 0.187 -3.243 1.00 0.00 C ATOM 958 C SER A 59 -3.041 1.530 -3.667 1.00 0.00 C ATOM 959 O SER A 59 -2.365 2.185 -2.898 1.00 0.00 O ATOM 960 CB SER A 59 -2.797 -0.953 -3.809 1.00 0.00 C ATOM 961 OG SER A 59 -2.801 -0.873 -5.228 1.00 0.00 O ATOM 0 H SER A 59 -5.205 -0.748 -4.349 1.00 0.00 H new ATOM 0 HA SER A 59 -3.656 0.129 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.777 -0.888 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.196 -1.914 -3.485 1.00 0.00 H new ATOM 0 HG SER A 59 -3.615 -0.418 -5.528 1.00 0.00 H new ATOM 967 N ILE A 60 -3.279 1.952 -4.880 1.00 0.00 N ATOM 968 CA ILE A 60 -2.718 3.255 -5.333 1.00 0.00 C ATOM 969 C ILE A 60 -3.331 4.383 -4.499 1.00 0.00 C ATOM 970 O ILE A 60 -2.642 5.267 -4.023 1.00 0.00 O ATOM 971 CB ILE A 60 -3.073 3.466 -6.808 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.327 2.436 -7.664 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.677 4.878 -7.239 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.863 2.470 -9.097 1.00 0.00 C ATOM 0 H ILE A 60 -3.836 1.452 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.635 3.255 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.147 3.341 -6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.258 2.651 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.453 1.439 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.932 5.023 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.213 5.608 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.604 5.012 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.330 1.737 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.927 2.233 -9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.714 3.464 -9.518 1.00 0.00 H new ATOM 986 N ALA A 61 -4.623 4.352 -4.311 1.00 0.00 N ATOM 987 CA ALA A 61 -5.289 5.411 -3.507 1.00 0.00 C ATOM 988 C ALA A 61 -4.840 5.294 -2.051 1.00 0.00 C ATOM 989 O ALA A 61 -4.627 6.279 -1.372 1.00 0.00 O ATOM 990 CB ALA A 61 -6.803 5.227 -3.597 1.00 0.00 C ATOM 0 H ALA A 61 -5.246 3.635 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.019 6.395 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.299 6.000 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.118 5.304 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.074 4.246 -3.208 1.00 0.00 H new ATOM 996 N CYS A 62 -4.699 4.091 -1.570 1.00 0.00 N ATOM 997 CA CYS A 62 -4.266 3.892 -0.162 1.00 0.00 C ATOM 998 C CYS A 62 -2.843 4.421 0.012 1.00 0.00 C ATOM 999 O CYS A 62 -2.560 5.187 0.908 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.299 2.395 0.161 1.00 0.00 C ATOM 1001 SG CYS A 62 -4.279 2.165 1.954 1.00 0.00 S ATOM 0 H CYS A 62 -4.866 3.233 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.934 4.429 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.193 1.940 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.441 1.896 -0.290 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.459 2.419 2.437 1.00 0.00 H new ATOM 1007 N ALA A 63 -1.951 4.014 -0.846 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.543 4.475 -0.740 1.00 0.00 C ATOM 1009 C ALA A 63 -0.510 5.996 -0.600 1.00 0.00 C ATOM 1010 O ALA A 63 0.244 6.540 0.183 1.00 0.00 O ATOM 1011 CB ALA A 63 0.211 4.059 -2.003 1.00 0.00 C ATOM 0 H ALA A 63 -2.140 3.378 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.073 4.027 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.246 4.393 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.185 2.974 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.260 4.513 -2.874 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.324 6.687 -1.347 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.338 8.170 -1.247 1.00 0.00 C ATOM 1019 C LYS A 64 -1.773 8.579 0.163 1.00 0.00 C ATOM 1020 O LYS A 64 -1.234 9.498 0.747 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.326 8.736 -2.267 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.790 8.520 -3.684 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.790 9.085 -4.695 1.00 0.00 C ATOM 1024 CE LYS A 64 -2.217 8.958 -6.109 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.006 7.519 -6.432 1.00 0.00 N ATOM 0 H LYS A 64 -1.978 6.289 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.340 8.560 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.295 8.249 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.481 9.800 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.823 9.011 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.632 7.457 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.736 8.548 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.000 10.131 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.899 9.408 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.274 9.500 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.993 7.343 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.344 6.933 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.534 7.276 -7.294 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.752 7.910 0.707 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.230 8.262 2.073 1.00 0.00 C ATOM 1041 C ILE A 65 -2.114 8.013 3.094 1.00 0.00 C ATOM 1042 O ILE A 65 -1.882 8.812 3.977 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.447 7.396 2.422 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.620 7.786 1.514 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -4.835 7.616 3.888 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.775 6.797 1.702 1.00 0.00 C ATOM 0 H ILE A 65 -3.242 7.133 0.263 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.509 9.315 2.099 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.202 6.345 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.953 8.797 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.299 7.790 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.700 6.999 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.999 7.340 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.082 8.666 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.605 7.080 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.439 5.792 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.103 6.814 2.741 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.433 6.906 2.984 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.344 6.598 3.951 1.00 0.00 C ATOM 1060 C ILE A 66 0.786 7.624 3.780 1.00 0.00 C ATOM 1061 O ILE A 66 1.315 8.143 4.743 1.00 0.00 O ATOM 1062 CB ILE A 66 0.180 5.168 3.689 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -0.776 4.125 4.311 1.00 0.00 C ATOM 1064 CG2 ILE A 66 1.579 4.992 4.299 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.018 3.959 3.433 1.00 0.00 C ATOM 0 H ILE A 66 -1.585 6.200 2.264 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.721 6.653 4.972 1.00 0.00 H new ATOM 0 HB ILE A 66 0.232 5.017 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.264 3.168 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.069 4.441 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.935 3.980 4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.265 5.710 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.531 5.161 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.684 3.222 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.536 4.914 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.719 3.622 2.440 1.00 0.00 H new ATOM 1077 N ILE A 67 1.167 7.908 2.567 1.00 0.00 N ATOM 1078 CA ILE A 67 2.264 8.887 2.347 1.00 0.00 C ATOM 1079 C ILE A 67 1.818 10.268 2.836 1.00 0.00 C ATOM 1080 O ILE A 67 2.552 10.971 3.505 1.00 0.00 O ATOM 1081 CB ILE A 67 2.583 8.949 0.852 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.191 7.614 0.405 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.583 10.076 0.586 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.243 7.563 -1.124 1.00 0.00 C ATOM 0 H ILE A 67 0.766 7.505 1.720 1.00 0.00 H new ATOM 0 HA ILE A 67 3.152 8.580 2.899 1.00 0.00 H new ATOM 0 HB ILE A 67 1.666 9.139 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.194 7.503 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.595 6.785 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.809 10.118 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.154 11.026 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.500 9.888 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.675 6.614 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.234 7.655 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.857 8.384 -1.495 1.00 0.00 H new ATOM 1096 N ASP A 68 0.618 10.661 2.505 1.00 0.00 N ATOM 1097 CA ASP A 68 0.115 11.990 2.943 1.00 0.00 C ATOM 1098 C ASP A 68 -0.070 11.997 4.461 1.00 0.00 C ATOM 1099 O ASP A 68 0.289 12.941 5.137 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.228 12.261 2.262 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.742 13.641 2.668 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -1.126 14.254 3.525 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.744 14.062 2.114 1.00 0.00 O ATOM 0 H ASP A 68 -0.038 10.114 1.947 1.00 0.00 H new ATOM 0 HA ASP A 68 0.832 12.763 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.115 12.209 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.951 11.496 2.544 1.00 0.00 H new ATOM 1108 N SER A 69 -0.633 10.950 5.000 1.00 0.00 N ATOM 1109 CA SER A 69 -0.850 10.888 6.472 1.00 0.00 C ATOM 1110 C SER A 69 0.506 10.813 7.174 1.00 0.00 C ATOM 1111 O SER A 69 0.696 11.359 8.242 1.00 0.00 O ATOM 1112 CB SER A 69 -1.665 9.642 6.805 1.00 0.00 C ATOM 1113 OG SER A 69 -0.962 8.497 6.352 1.00 0.00 O ATOM 0 H SER A 69 -0.953 10.132 4.481 1.00 0.00 H new ATOM 0 HA SER A 69 -1.387 11.776 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.835 9.579 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.645 9.695 6.330 1.00 0.00 H new ATOM 0 HG SER A 69 -1.273 8.256 5.454 1.00 0.00 H new ATOM 1119 N HIS A 70 1.452 10.135 6.581 1.00 0.00 N ATOM 1120 CA HIS A 70 2.797 10.019 7.203 1.00 0.00 C ATOM 1121 C HIS A 70 3.393 11.415 7.388 1.00 0.00 C ATOM 1122 O HIS A 70 3.952 11.731 8.419 1.00 0.00 O ATOM 1123 CB HIS A 70 3.698 9.196 6.282 1.00 0.00 C ATOM 1124 CG HIS A 70 5.064 9.063 6.898 1.00 0.00 C ATOM 1125 ND1 HIS A 70 5.288 8.332 8.053 1.00 0.00 N ATOM 1126 CD2 HIS A 70 6.285 9.566 6.527 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.602 8.415 8.334 1.00 0.00 C ATOM 1128 NE2 HIS A 70 7.255 9.155 7.436 1.00 0.00 N ATOM 0 H HIS A 70 1.347 9.655 5.687 1.00 0.00 H new ATOM 0 HA HIS A 70 2.717 9.531 8.174 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.264 8.209 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.773 9.676 5.306 1.00 0.00 H new ATOM 0 HD1 HIS A 70 4.586 7.824 8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.466 10.186 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.071 7.940 9.183 1.00 0.00 H new ATOM 1136 N LEU A 71 3.275 12.252 6.396 1.00 0.00 N ATOM 1137 CA LEU A 71 3.828 13.627 6.507 1.00 0.00 C ATOM 1138 C LEU A 71 3.093 14.377 7.619 1.00 0.00 C ATOM 1139 O LEU A 71 3.683 15.107 8.391 1.00 0.00 O ATOM 1140 CB LEU A 71 3.621 14.359 5.180 1.00 0.00 C ATOM 1141 CG LEU A 71 4.480 13.712 4.084 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.123 14.340 2.731 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.981 13.918 4.378 1.00 0.00 C ATOM 0 H LEU A 71 2.817 12.040 5.510 1.00 0.00 H new ATOM 0 HA LEU A 71 4.892 13.580 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.569 14.325 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.888 15.410 5.290 1.00 0.00 H new ATOM 0 HG LEU A 71 4.280 12.641 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.729 13.885 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.068 14.170 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.318 15.412 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.573 13.452 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.201 14.985 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.230 13.462 5.336 1.00 0.00 H new ATOM 1155 N ASP A 72 1.804 14.207 7.698 1.00 0.00 N ATOM 1156 CA ASP A 72 1.019 14.906 8.748 1.00 0.00 C ATOM 1157 C ASP A 72 1.376 14.322 10.115 1.00 0.00 C ATOM 1158 O ASP A 72 0.886 14.764 11.132 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.473 14.716 8.470 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.287 15.633 9.384 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -0.693 16.268 10.239 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.492 15.690 9.207 1.00 0.00 O ATOM 0 H ASP A 72 1.259 13.610 7.076 1.00 0.00 H new ATOM 0 HA ASP A 72 1.252 15.971 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.690 14.941 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.755 13.676 8.637 1.00 0.00 H new ATOM 1167 N ARG A 73 2.230 13.328 10.135 1.00 0.00 N ATOM 1168 CA ARG A 73 2.650 12.689 11.420 1.00 0.00 C ATOM 1169 C ARG A 73 1.474 11.940 12.048 1.00 0.00 C ATOM 1170 O ARG A 73 0.977 12.318 13.092 1.00 0.00 O ATOM 1171 CB ARG A 73 3.169 13.749 12.404 1.00 0.00 C ATOM 1172 CG ARG A 73 3.912 13.059 13.549 1.00 0.00 C ATOM 1173 CD ARG A 73 4.457 14.115 14.516 1.00 0.00 C ATOM 1174 NE ARG A 73 3.323 14.846 15.157 1.00 0.00 N ATOM 1175 CZ ARG A 73 2.766 14.384 16.248 1.00 0.00 C ATOM 1176 NH1 ARG A 73 3.181 13.266 16.778 1.00 0.00 N ATOM 1177 NH2 ARG A 73 1.790 15.047 16.808 1.00 0.00 N ATOM 0 H ARG A 73 2.660 12.927 9.302 1.00 0.00 H new ATOM 0 HA ARG A 73 3.452 11.983 11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.834 14.443 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.338 14.335 12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.241 12.381 14.076 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.730 12.456 13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.073 13.639 15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.097 14.816 13.981 1.00 0.00 H new ATOM 0 HE ARG A 73 2.980 15.712 14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.943 12.747 16.342 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.743 12.911 17.628 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.465 15.921 16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.353 14.691 17.658 1.00 0.00 H new ATOM 1191 N HIS A 74 1.037 10.869 11.425 1.00 0.00 N ATOM 1192 CA HIS A 74 -0.099 10.066 11.980 1.00 0.00 C ATOM 1193 C HIS A 74 0.358 8.616 12.181 1.00 0.00 C ATOM 1194 O HIS A 74 0.642 7.903 11.239 1.00 0.00 O ATOM 1195 CB HIS A 74 -1.277 10.107 11.006 1.00 0.00 C ATOM 1196 CG HIS A 74 -2.399 9.268 11.554 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -3.114 9.636 12.684 1.00 0.00 N ATOM 1198 CD2 HIS A 74 -2.937 8.075 11.142 1.00 0.00 C ATOM 1199 CE1 HIS A 74 -4.034 8.680 12.910 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -3.969 7.705 12.000 1.00 0.00 N ATOM 0 H HIS A 74 1.423 10.515 10.549 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.411 10.484 12.937 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.611 11.135 10.863 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.970 9.733 10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.610 7.509 10.283 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.739 8.699 13.728 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.551 6.869 11.945 1.00 0.00 H new ATOM 1208 N ASP A 75 0.425 8.184 13.412 1.00 0.00 N ATOM 1209 CA ASP A 75 0.855 6.786 13.715 1.00 0.00 C ATOM 1210 C ASP A 75 2.185 6.458 13.022 1.00 0.00 C ATOM 1211 O ASP A 75 2.751 7.266 12.313 1.00 0.00 O ATOM 1212 CB ASP A 75 -0.218 5.797 13.252 1.00 0.00 C ATOM 1213 CG ASP A 75 -1.415 5.855 14.204 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -1.266 6.407 15.283 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -2.462 5.345 13.841 1.00 0.00 O ATOM 0 H ASP A 75 0.197 8.747 14.231 1.00 0.00 H new ATOM 0 HA ASP A 75 0.993 6.700 14.793 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.535 6.038 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.191 4.787 13.227 1.00 0.00 H new ATOM 1220 N GLN A 76 2.684 5.268 13.246 1.00 0.00 N ATOM 1221 CA GLN A 76 3.977 4.849 12.629 1.00 0.00 C ATOM 1222 C GLN A 76 3.982 5.172 11.131 1.00 0.00 C ATOM 1223 O GLN A 76 4.212 6.292 10.726 1.00 0.00 O ATOM 1224 CB GLN A 76 4.149 3.339 12.821 1.00 0.00 C ATOM 1225 CG GLN A 76 4.374 3.029 14.302 1.00 0.00 C ATOM 1226 CD GLN A 76 4.487 1.515 14.502 1.00 0.00 C ATOM 1227 OE1 GLN A 76 3.544 0.787 14.258 1.00 0.00 O ATOM 1228 NE2 GLN A 76 5.607 1.007 14.939 1.00 0.00 N ATOM 0 H GLN A 76 2.244 4.562 13.837 1.00 0.00 H new ATOM 0 HA GLN A 76 4.795 5.388 13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.265 2.814 12.460 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.994 2.982 12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.282 3.520 14.652 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.549 3.423 14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.398 1.617 15.144 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.691 -0.000 15.076 1.00 0.00 H new ATOM 1237 N GLY A 77 3.731 4.187 10.309 1.00 0.00 N ATOM 1238 CA GLY A 77 3.714 4.413 8.837 1.00 0.00 C ATOM 1239 C GLY A 77 5.090 4.878 8.357 1.00 0.00 C ATOM 1240 O GLY A 77 5.632 5.852 8.838 1.00 0.00 O ATOM 0 H GLY A 77 3.536 3.229 10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.434 3.493 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.961 5.160 8.585 1.00 0.00 H new ATOM 1244 N LEU A 78 5.654 4.183 7.396 1.00 0.00 N ATOM 1245 CA LEU A 78 6.996 4.560 6.857 1.00 0.00 C ATOM 1246 C LEU A 78 7.921 4.957 8.013 1.00 0.00 C ATOM 1247 O LEU A 78 8.887 5.675 7.835 1.00 0.00 O ATOM 1248 CB LEU A 78 6.843 5.728 5.874 1.00 0.00 C ATOM 1249 CG LEU A 78 5.597 5.514 5.006 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.557 6.568 3.898 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.632 4.118 4.373 1.00 0.00 C ATOM 0 H LEU A 78 5.235 3.362 6.959 1.00 0.00 H new ATOM 0 HA LEU A 78 7.432 3.710 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.760 6.667 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.729 5.803 5.243 1.00 0.00 H new ATOM 0 HG LEU A 78 4.710 5.604 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.671 6.415 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.522 7.562 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.449 6.479 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.743 3.975 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.522 4.023 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.655 3.363 5.159 1.00 0.00 H new ATOM 1263 N ALA A 79 7.625 4.491 9.196 1.00 0.00 N ATOM 1264 CA ALA A 79 8.468 4.824 10.374 1.00 0.00 C ATOM 1265 C ALA A 79 9.895 4.321 10.139 1.00 0.00 C ATOM 1266 O ALA A 79 10.858 5.033 10.343 1.00 0.00 O ATOM 1267 CB ALA A 79 7.882 4.135 11.607 1.00 0.00 C ATOM 0 H ALA A 79 6.827 3.888 9.396 1.00 0.00 H new ATOM 0 HA ALA A 79 8.488 5.903 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.491 4.371 12.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.863 4.486 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.873 3.056 11.451 1.00 0.00 H new ATOM 1273 N ASP A 80 10.035 3.096 9.708 1.00 0.00 N ATOM 1274 CA ASP A 80 11.391 2.538 9.453 1.00 0.00 C ATOM 1275 C ASP A 80 12.042 3.292 8.293 1.00 0.00 C ATOM 1276 O ASP A 80 13.235 3.517 8.274 1.00 0.00 O ATOM 1277 CB ASP A 80 11.268 1.061 9.086 1.00 0.00 C ATOM 1278 CG ASP A 80 10.907 0.249 10.333 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.058 0.772 11.425 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.489 -0.886 10.174 1.00 0.00 O ATOM 0 H ASP A 80 9.263 2.456 9.521 1.00 0.00 H new ATOM 0 HA ASP A 80 12.003 2.645 10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.504 0.929 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.207 0.701 8.665 1.00 0.00 H new ATOM 1285 N LEU A 81 11.264 3.666 7.314 1.00 0.00 N ATOM 1286 CA LEU A 81 11.824 4.390 6.140 1.00 0.00 C ATOM 1287 C LEU A 81 11.918 5.881 6.465 1.00 0.00 C ATOM 1288 O LEU A 81 12.401 6.669 5.677 1.00 0.00 O ATOM 1289 CB LEU A 81 10.897 4.181 4.939 1.00 0.00 C ATOM 1290 CG LEU A 81 10.592 2.687 4.773 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.620 2.491 3.607 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.892 1.917 4.497 1.00 0.00 C ATOM 0 H LEU A 81 10.258 3.499 7.278 1.00 0.00 H new ATOM 0 HA LEU A 81 12.818 4.009 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.971 4.737 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.365 4.569 4.034 1.00 0.00 H new ATOM 0 HG LEU A 81 10.141 2.308 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.403 1.429 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.695 3.030 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.069 2.874 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.669 0.857 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.351 2.294 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.580 2.053 5.332 1.00 0.00 H new ATOM 1304 N GLY A 82 11.459 6.272 7.622 1.00 0.00 N ATOM 1305 CA GLY A 82 11.520 7.707 8.001 1.00 0.00 C ATOM 1306 C GLY A 82 10.713 7.928 9.279 1.00 0.00 C ATOM 1307 O GLY A 82 9.501 7.804 9.218 1.00 0.00 O ATOM 1308 OXT GLY A 82 11.321 8.213 10.298 1.00 0.00 O ATOM 0 H GLY A 82 11.044 5.656 8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.556 8.010 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.123 8.325 7.195 1.00 0.00 H new TER 1312 GLY A 82