USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 49 ASN :FLIP amide:sc= -0.917 F(o=-4.3!,f=-2.5) USER MOD Set 1.2: A 56 GLN : amide:sc= -1.58 K(o=-2.5,f=-4.3) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.359 X(o=-0.55,f=-0.14) USER MOD Set 2.2: A 20 GLN : amide:sc=-0.00207 X(o=-0.55,f=-0.14) USER MOD Set 2.3: A 50 ASN : amide:sc= -0.188 X(o=-0.55,f=-0.64) USER MOD Single : A 14 TYR OH : rot -90:sc= -1.23 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -32:sc= 0.434 USER MOD Single : A 23 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 26 MET CE :methyl 175:sc= -0.633 (180deg=-0.712) USER MOD Single : A 30 MET CE :methyl 180:sc= -0.204 (180deg=-0.204) USER MOD Single : A 34 TYR OH : rot -81:sc= 0.178 USER MOD Single : A 38 SER OG : rot 26:sc= 0.239 USER MOD Single : A 47 GLN :FLIP amide:sc= -2.27! C(o=-4.9!,f=-2.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.434 K(o=0.43,f=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -164:sc= 0.327 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.061) USER MOD Single : A 71 HIS : no HD1:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.509 (180deg=-1.39) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.529 5.583 -4.693 1.00 0.00 N ATOM 2 CA TYR A 14 -11.309 5.819 -3.881 1.00 0.00 C ATOM 3 C TYR A 14 -10.079 5.050 -4.413 1.00 0.00 C ATOM 4 O TYR A 14 -8.955 5.550 -4.336 1.00 0.00 O ATOM 5 CB TYR A 14 -11.579 5.453 -2.396 1.00 0.00 C ATOM 6 CG TYR A 14 -10.417 5.788 -1.443 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.111 7.120 -1.141 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.616 4.787 -0.867 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.062 7.442 -0.308 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.559 5.110 -0.036 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.291 6.444 0.240 1.00 0.00 C ATOM 12 OH TYR A 14 -7.237 6.786 1.052 1.00 0.00 O ATOM 0 HA TYR A 14 -11.072 6.880 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.473 5.979 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.793 4.386 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.709 7.911 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.829 3.749 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.846 8.476 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.947 4.331 0.395 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.428 6.894 0.510 1.00 0.00 H new ATOM 22 N GLY A 15 -10.314 3.844 -4.958 1.00 0.00 N ATOM 23 CA GLY A 15 -9.243 3.021 -5.517 1.00 0.00 C ATOM 24 C GLY A 15 -8.618 3.618 -6.766 1.00 0.00 C ATOM 25 O GLY A 15 -7.418 3.444 -7.016 1.00 0.00 O ATOM 0 H GLY A 15 -11.241 3.422 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.469 2.882 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.639 2.033 -5.753 1.00 0.00 H new ATOM 29 N GLU A 16 -9.447 4.290 -7.572 1.00 0.00 N ATOM 30 CA GLU A 16 -8.980 5.026 -8.750 1.00 0.00 C ATOM 31 C GLU A 16 -8.261 6.323 -8.324 1.00 0.00 C ATOM 32 O GLU A 16 -7.245 6.695 -8.911 1.00 0.00 O ATOM 33 CB GLU A 16 -10.152 5.333 -9.709 1.00 0.00 C ATOM 34 CG GLU A 16 -9.709 5.719 -11.138 1.00 0.00 C ATOM 35 CD GLU A 16 -8.923 4.591 -11.843 1.00 0.00 C ATOM 36 OE1 GLU A 16 -7.677 4.535 -11.713 1.00 0.00 O ATOM 37 OE2 GLU A 16 -9.554 3.738 -12.503 1.00 0.00 O ATOM 0 H GLU A 16 -10.455 4.339 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.267 4.399 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.801 4.459 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.746 6.146 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.588 5.969 -11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.089 6.615 -11.093 1.00 0.00 H new ATOM 44 N TYR A 17 -8.815 6.982 -7.276 1.00 0.00 N ATOM 45 CA TYR A 17 -8.293 8.254 -6.730 1.00 0.00 C ATOM 46 C TYR A 17 -6.840 8.113 -6.279 1.00 0.00 C ATOM 47 O TYR A 17 -5.975 8.901 -6.691 1.00 0.00 O ATOM 48 CB TYR A 17 -9.188 8.715 -5.533 1.00 0.00 C ATOM 49 CG TYR A 17 -8.557 9.765 -4.592 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.314 11.079 -5.011 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.183 9.423 -3.286 1.00 0.00 C ATOM 52 CE1 TYR A 17 -7.731 12.003 -4.162 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.600 10.341 -2.441 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.377 11.629 -2.877 1.00 0.00 C ATOM 55 OH TYR A 17 -6.786 12.541 -2.028 1.00 0.00 O ATOM 0 H TYR A 17 -9.642 6.641 -6.785 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.323 9.005 -7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.116 9.123 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.454 7.838 -4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.586 11.376 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.356 8.417 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.553 13.013 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.318 10.052 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.604 12.114 -1.165 1.00 0.00 H new ATOM 65 N VAL A 18 -6.591 7.069 -5.476 1.00 0.00 N ATOM 66 CA VAL A 18 -5.275 6.808 -4.897 1.00 0.00 C ATOM 67 C VAL A 18 -4.244 6.543 -5.997 1.00 0.00 C ATOM 68 O VAL A 18 -3.135 7.049 -5.915 1.00 0.00 O ATOM 69 CB VAL A 18 -5.295 5.646 -3.841 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.125 6.039 -2.599 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.802 4.334 -4.450 1.00 0.00 C ATOM 0 H VAL A 18 -7.300 6.384 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.981 7.707 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.266 5.480 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.122 5.216 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.689 6.924 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.150 6.254 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.801 3.555 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.816 4.474 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.150 4.039 -5.272 1.00 0.00 H new ATOM 81 N GLN A 19 -4.662 5.837 -7.066 1.00 0.00 N ATOM 82 CA GLN A 19 -3.784 5.499 -8.203 1.00 0.00 C ATOM 83 C GLN A 19 -3.146 6.793 -8.773 1.00 0.00 C ATOM 84 O GLN A 19 -1.934 6.854 -8.991 1.00 0.00 O ATOM 85 CB GLN A 19 -4.615 4.738 -9.296 1.00 0.00 C ATOM 86 CG GLN A 19 -3.823 3.833 -10.284 1.00 0.00 C ATOM 87 CD GLN A 19 -2.849 4.570 -11.215 1.00 0.00 C ATOM 88 OE1 GLN A 19 -3.224 5.035 -12.296 1.00 0.00 O ATOM 89 NE2 GLN A 19 -1.589 4.676 -10.804 1.00 0.00 N ATOM 0 H GLN A 19 -5.615 5.486 -7.165 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.978 4.845 -7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.355 4.119 -8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.164 5.477 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.262 3.098 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.536 3.281 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.311 4.281 -9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.901 5.152 -11.387 1.00 0.00 H new ATOM 98 N GLN A 20 -3.968 7.849 -8.879 1.00 0.00 N ATOM 99 CA GLN A 20 -3.592 9.095 -9.574 1.00 0.00 C ATOM 100 C GLN A 20 -2.775 10.026 -8.659 1.00 0.00 C ATOM 101 O GLN A 20 -1.943 10.803 -9.142 1.00 0.00 O ATOM 102 CB GLN A 20 -4.861 9.826 -10.101 1.00 0.00 C ATOM 103 CG GLN A 20 -5.883 8.906 -10.814 1.00 0.00 C ATOM 104 CD GLN A 20 -5.297 8.036 -11.937 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.380 8.432 -12.653 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.803 6.819 -12.071 1.00 0.00 N ATOM 0 H GLN A 20 -4.910 7.866 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.962 8.827 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.356 10.317 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.552 10.610 -10.793 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.343 8.254 -10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.678 9.525 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.564 6.513 -11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.432 6.188 -12.781 1.00 0.00 H new ATOM 115 N THR A 21 -3.025 9.945 -7.334 1.00 0.00 N ATOM 116 CA THR A 21 -2.383 10.830 -6.335 1.00 0.00 C ATOM 117 C THR A 21 -1.231 10.133 -5.564 1.00 0.00 C ATOM 118 O THR A 21 -0.568 10.779 -4.745 1.00 0.00 O ATOM 119 CB THR A 21 -3.457 11.403 -5.336 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.875 12.396 -4.471 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.115 10.310 -4.487 1.00 0.00 C ATOM 0 H THR A 21 -3.673 9.270 -6.928 1.00 0.00 H new ATOM 0 HA THR A 21 -1.932 11.655 -6.887 1.00 0.00 H new ATOM 0 HB THR A 21 -4.233 11.860 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.934 12.176 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.847 10.761 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.614 9.594 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.353 9.797 -3.900 1.00 0.00 H new ATOM 129 N LEU A 22 -0.975 8.835 -5.831 1.00 0.00 N ATOM 130 CA LEU A 22 0.113 8.085 -5.143 1.00 0.00 C ATOM 131 C LEU A 22 1.481 8.381 -5.790 1.00 0.00 C ATOM 132 O LEU A 22 1.701 8.071 -6.965 1.00 0.00 O ATOM 133 CB LEU A 22 -0.163 6.534 -5.103 1.00 0.00 C ATOM 134 CG LEU A 22 -0.530 5.944 -3.700 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.569 6.221 -2.667 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.869 6.479 -3.193 1.00 0.00 C ATOM 0 H LEU A 22 -1.498 8.283 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 22 0.135 8.433 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.976 6.311 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.722 6.017 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.619 4.865 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.280 5.797 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.503 5.766 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.707 7.297 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.088 6.046 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.817 7.564 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.658 6.209 -3.895 1.00 0.00 H new ATOM 148 N GLN A 23 2.384 8.979 -5.002 1.00 0.00 N ATOM 149 CA GLN A 23 3.768 9.273 -5.410 1.00 0.00 C ATOM 150 C GLN A 23 4.722 8.234 -4.783 1.00 0.00 C ATOM 151 O GLN A 23 4.521 7.855 -3.621 1.00 0.00 O ATOM 152 CB GLN A 23 4.162 10.700 -4.941 1.00 0.00 C ATOM 153 CG GLN A 23 5.569 11.159 -5.390 1.00 0.00 C ATOM 154 CD GLN A 23 6.023 12.497 -4.812 1.00 0.00 C ATOM 155 OE1 GLN A 23 7.215 12.722 -4.614 1.00 0.00 O ATOM 156 NE2 GLN A 23 5.089 13.395 -4.545 1.00 0.00 N ATOM 0 H GLN A 23 2.173 9.277 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 23 3.843 9.222 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.425 11.409 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.112 10.737 -3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.292 10.394 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.584 11.226 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.108 13.178 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.350 14.304 -4.164 1.00 0.00 H new ATOM 165 N PRO A 24 5.772 7.745 -5.532 1.00 0.00 N ATOM 166 CA PRO A 24 6.800 6.848 -4.966 1.00 0.00 C ATOM 167 C PRO A 24 7.673 7.585 -3.919 1.00 0.00 C ATOM 168 O PRO A 24 8.693 8.203 -4.251 1.00 0.00 O ATOM 169 CB PRO A 24 7.608 6.372 -6.208 1.00 0.00 C ATOM 170 CG PRO A 24 7.408 7.455 -7.228 1.00 0.00 C ATOM 171 CD PRO A 24 6.021 8.016 -6.977 1.00 0.00 C ATOM 0 HA PRO A 24 6.380 6.005 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.664 6.243 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.244 5.412 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.167 8.231 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.491 7.058 -8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.978 9.083 -7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.275 7.531 -7.607 1.00 0.00 H new ATOM 179 N GLY A 25 7.199 7.564 -2.661 1.00 0.00 N ATOM 180 CA GLY A 25 7.924 8.133 -1.527 1.00 0.00 C ATOM 181 C GLY A 25 7.004 8.693 -0.447 1.00 0.00 C ATOM 182 O GLY A 25 7.489 9.238 0.552 1.00 0.00 O ATOM 0 H GLY A 25 6.301 7.150 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.562 7.365 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.580 8.927 -1.884 1.00 0.00 H new ATOM 186 N MET A 26 5.667 8.564 -0.629 1.00 0.00 N ATOM 187 CA MET A 26 4.682 9.050 0.365 1.00 0.00 C ATOM 188 C MET A 26 4.220 7.914 1.296 1.00 0.00 C ATOM 189 O MET A 26 4.389 6.731 0.999 1.00 0.00 O ATOM 190 CB MET A 26 3.458 9.742 -0.307 1.00 0.00 C ATOM 191 CG MET A 26 2.586 8.849 -1.195 1.00 0.00 C ATOM 192 SD MET A 26 0.990 9.611 -1.599 1.00 0.00 S ATOM 193 CE MET A 26 1.466 11.214 -2.256 1.00 0.00 C ATOM 0 H MET A 26 5.249 8.129 -1.451 1.00 0.00 H new ATOM 0 HA MET A 26 5.191 9.803 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.830 10.166 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.822 10.575 -0.909 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.122 8.627 -2.118 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.413 7.899 -0.690 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.581 11.736 -2.620 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.938 11.804 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.169 11.076 -3.078 1.00 0.00 H new ATOM 203 N ARG A 27 3.581 8.320 2.391 1.00 0.00 N ATOM 204 CA ARG A 27 3.210 7.452 3.516 1.00 0.00 C ATOM 205 C ARG A 27 1.800 6.901 3.287 1.00 0.00 C ATOM 206 O ARG A 27 0.861 7.664 3.027 1.00 0.00 O ATOM 207 CB ARG A 27 3.266 8.278 4.833 1.00 0.00 C ATOM 208 CG ARG A 27 2.966 7.510 6.144 1.00 0.00 C ATOM 209 CD ARG A 27 4.010 6.426 6.448 1.00 0.00 C ATOM 210 NE ARG A 27 3.939 5.950 7.838 1.00 0.00 N ATOM 211 CZ ARG A 27 4.861 5.185 8.442 1.00 0.00 C ATOM 212 NH1 ARG A 27 5.941 4.769 7.789 1.00 0.00 N ATOM 213 NH2 ARG A 27 4.687 4.841 9.708 1.00 0.00 N ATOM 0 H ARG A 27 3.297 9.290 2.528 1.00 0.00 H new ATOM 0 HA ARG A 27 3.904 6.615 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.259 8.720 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.556 9.101 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.929 8.216 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.980 7.050 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.863 5.584 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.007 6.821 6.253 1.00 0.00 H new ATOM 0 HE ARG A 27 3.124 6.223 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.079 5.031 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.632 4.188 8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.859 5.157 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.381 4.260 10.179 1.00 0.00 H new ATOM 227 N VAL A 28 1.663 5.574 3.393 1.00 0.00 N ATOM 228 CA VAL A 28 0.396 4.868 3.174 1.00 0.00 C ATOM 229 C VAL A 28 -0.052 4.188 4.490 1.00 0.00 C ATOM 230 O VAL A 28 0.706 4.150 5.470 1.00 0.00 O ATOM 231 CB VAL A 28 0.510 3.800 2.009 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.258 4.378 0.773 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.150 2.467 2.483 1.00 0.00 C ATOM 0 H VAL A 28 2.436 4.955 3.636 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.352 5.600 2.868 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.510 3.568 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.317 3.617 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.717 5.245 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.265 4.678 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.204 1.771 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.154 2.660 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.541 2.033 3.276 1.00 0.00 H new ATOM 243 N ARG A 29 -1.283 3.666 4.488 1.00 0.00 N ATOM 244 CA ARG A 29 -1.914 3.014 5.649 1.00 0.00 C ATOM 245 C ARG A 29 -2.937 1.977 5.121 1.00 0.00 C ATOM 246 O ARG A 29 -3.745 2.294 4.255 1.00 0.00 O ATOM 247 CB ARG A 29 -2.591 4.108 6.552 1.00 0.00 C ATOM 248 CG ARG A 29 -2.803 3.731 8.039 1.00 0.00 C ATOM 249 CD ARG A 29 -3.858 2.642 8.271 1.00 0.00 C ATOM 250 NE ARG A 29 -5.221 3.064 7.875 1.00 0.00 N ATOM 251 CZ ARG A 29 -6.360 2.490 8.302 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.327 1.496 9.169 1.00 0.00 N ATOM 253 NH2 ARG A 29 -7.528 2.912 7.852 1.00 0.00 N ATOM 0 H ARG A 29 -1.884 3.683 3.664 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.179 2.494 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.982 5.011 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.560 4.357 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.853 3.395 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.094 4.625 8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.582 1.750 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.861 2.365 9.325 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.302 3.850 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.432 1.156 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.196 1.067 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.569 3.676 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.389 2.474 8.179 1.00 0.00 H new ATOM 267 N MET A 30 -2.885 0.745 5.645 1.00 0.00 N ATOM 268 CA MET A 30 -3.784 -0.358 5.244 1.00 0.00 C ATOM 269 C MET A 30 -5.072 -0.360 6.086 1.00 0.00 C ATOM 270 O MET A 30 -5.011 -0.368 7.318 1.00 0.00 O ATOM 271 CB MET A 30 -3.033 -1.707 5.383 1.00 0.00 C ATOM 272 CG MET A 30 -3.872 -2.951 5.079 1.00 0.00 C ATOM 273 SD MET A 30 -4.828 -2.830 3.548 1.00 0.00 S ATOM 274 CE MET A 30 -3.546 -2.603 2.321 1.00 0.00 C ATOM 0 H MET A 30 -2.214 0.478 6.365 1.00 0.00 H new ATOM 0 HA MET A 30 -4.077 -0.214 4.204 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.172 -1.696 4.715 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.647 -1.787 6.399 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.212 -3.817 5.017 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.555 -3.129 5.910 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.999 -2.515 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.984 -1.696 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.872 -3.460 2.336 1.00 0.00 H new ATOM 284 N LEU A 31 -6.235 -0.369 5.406 1.00 0.00 N ATOM 285 CA LEU A 31 -7.569 -0.374 6.060 1.00 0.00 C ATOM 286 C LEU A 31 -8.221 -1.780 6.047 1.00 0.00 C ATOM 287 O LEU A 31 -9.359 -1.945 6.502 1.00 0.00 O ATOM 288 CB LEU A 31 -8.487 0.715 5.398 1.00 0.00 C ATOM 289 CG LEU A 31 -8.620 0.708 3.825 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.505 -0.444 3.284 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.113 2.074 3.295 1.00 0.00 C ATOM 0 H LEU A 31 -6.282 -0.373 4.387 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.439 -0.120 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.487 0.611 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.115 1.694 5.698 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.615 0.527 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.552 -0.387 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.076 -1.402 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.510 -0.355 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.194 2.035 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.089 2.300 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.404 2.852 3.579 1.00 0.00 H new ATOM 303 N ASP A 32 -7.485 -2.784 5.537 1.00 0.00 N ATOM 304 CA ASP A 32 -7.971 -4.182 5.409 1.00 0.00 C ATOM 305 C ASP A 32 -6.969 -5.147 6.081 1.00 0.00 C ATOM 306 O ASP A 32 -5.844 -4.758 6.383 1.00 0.00 O ATOM 307 CB ASP A 32 -8.151 -4.528 3.903 1.00 0.00 C ATOM 308 CG ASP A 32 -8.786 -5.910 3.656 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.013 -6.054 3.857 1.00 0.00 O ATOM 310 OD2 ASP A 32 -8.072 -6.859 3.275 1.00 0.00 O ATOM 0 H ASP A 32 -6.531 -2.654 5.199 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.934 -4.287 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.772 -3.764 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.178 -4.492 3.412 1.00 0.00 H new ATOM 315 N ASP A 33 -7.383 -6.390 6.351 1.00 0.00 N ATOM 316 CA ASP A 33 -6.487 -7.402 6.943 1.00 0.00 C ATOM 317 C ASP A 33 -5.884 -8.278 5.840 1.00 0.00 C ATOM 318 O ASP A 33 -6.594 -9.008 5.148 1.00 0.00 O ATOM 319 CB ASP A 33 -7.231 -8.260 7.996 1.00 0.00 C ATOM 320 CG ASP A 33 -7.513 -7.479 9.290 1.00 0.00 C ATOM 321 OD1 ASP A 33 -6.585 -7.347 10.123 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.645 -6.983 9.469 1.00 0.00 O ATOM 0 H ASP A 33 -8.330 -6.723 6.171 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.676 -6.888 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.172 -8.613 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.635 -9.143 8.229 1.00 0.00 H new ATOM 327 N TYR A 34 -4.557 -8.206 5.725 1.00 0.00 N ATOM 328 CA TYR A 34 -3.757 -8.933 4.731 1.00 0.00 C ATOM 329 C TYR A 34 -2.908 -10.009 5.442 1.00 0.00 C ATOM 330 O TYR A 34 -2.842 -10.032 6.680 1.00 0.00 O ATOM 331 CB TYR A 34 -2.850 -7.940 3.916 1.00 0.00 C ATOM 332 CG TYR A 34 -2.877 -8.193 2.403 1.00 0.00 C ATOM 333 CD1 TYR A 34 -2.125 -9.211 1.823 1.00 0.00 C ATOM 334 CD2 TYR A 34 -3.695 -7.439 1.566 1.00 0.00 C ATOM 335 CE1 TYR A 34 -2.183 -9.463 0.471 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.756 -7.692 0.215 1.00 0.00 C ATOM 337 CZ TYR A 34 -3.000 -8.705 -0.326 1.00 0.00 C ATOM 338 OH TYR A 34 -3.058 -8.957 -1.671 1.00 0.00 O ATOM 0 H TYR A 34 -3.989 -7.622 6.339 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.423 -9.425 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.175 -6.918 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.823 -8.022 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.483 -9.815 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.292 -6.642 1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.587 -10.254 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.396 -7.096 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.297 -8.530 -2.117 1.00 0.00 H new ATOM 348 N GLU A 35 -2.278 -10.880 4.620 1.00 0.00 N ATOM 349 CA GLU A 35 -1.421 -12.024 5.048 1.00 0.00 C ATOM 350 C GLU A 35 -0.498 -11.675 6.235 1.00 0.00 C ATOM 351 O GLU A 35 -0.542 -12.326 7.283 1.00 0.00 O ATOM 352 CB GLU A 35 -0.550 -12.506 3.843 1.00 0.00 C ATOM 353 CG GLU A 35 -1.320 -12.760 2.526 1.00 0.00 C ATOM 354 CD GLU A 35 -2.443 -13.801 2.663 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.157 -15.013 2.583 1.00 0.00 O ATOM 356 OE2 GLU A 35 -3.615 -13.414 2.850 1.00 0.00 O ATOM 0 H GLU A 35 -2.351 -10.808 3.605 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.092 -12.815 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.222 -11.761 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.041 -13.426 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.747 -11.820 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.617 -13.093 1.762 1.00 0.00 H new ATOM 363 N GLU A 36 0.303 -10.613 6.059 1.00 0.00 N ATOM 364 CA GLU A 36 1.319 -10.180 7.040 1.00 0.00 C ATOM 365 C GLU A 36 1.140 -8.691 7.421 1.00 0.00 C ATOM 366 O GLU A 36 1.945 -8.140 8.175 1.00 0.00 O ATOM 367 CB GLU A 36 2.739 -10.457 6.459 1.00 0.00 C ATOM 368 CG GLU A 36 2.989 -9.867 5.053 1.00 0.00 C ATOM 369 CD GLU A 36 4.357 -10.230 4.454 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.704 -11.423 4.424 1.00 0.00 O ATOM 371 OE2 GLU A 36 5.087 -9.328 3.993 1.00 0.00 O ATOM 0 H GLU A 36 0.266 -10.024 5.227 1.00 0.00 H new ATOM 0 HA GLU A 36 1.194 -10.752 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.483 -10.052 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.896 -11.535 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.206 -10.216 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.904 -8.782 5.106 1.00 0.00 H new ATOM 378 N ILE A 37 0.084 -8.041 6.878 1.00 0.00 N ATOM 379 CA ILE A 37 -0.247 -6.631 7.179 1.00 0.00 C ATOM 380 C ILE A 37 -1.651 -6.564 7.802 1.00 0.00 C ATOM 381 O ILE A 37 -2.637 -6.652 7.077 1.00 0.00 O ATOM 382 CB ILE A 37 -0.211 -5.701 5.895 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.102 -5.895 5.059 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.412 -4.215 6.281 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.037 -6.993 4.018 1.00 0.00 C ATOM 0 H ILE A 37 -0.561 -8.480 6.220 1.00 0.00 H new ATOM 0 HA ILE A 37 0.511 -6.263 7.870 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.041 -6.004 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.341 -4.955 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.923 -6.111 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.383 -3.599 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.377 -4.094 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.383 -3.905 6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.990 -7.052 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.833 -7.946 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.242 -6.773 3.306 1.00 0.00 H new ATOM 397 N SER A 38 -1.743 -6.417 9.127 1.00 0.00 N ATOM 398 CA SER A 38 -3.043 -6.302 9.821 1.00 0.00 C ATOM 399 C SER A 38 -3.581 -4.864 9.657 1.00 0.00 C ATOM 400 O SER A 38 -2.786 -3.913 9.518 1.00 0.00 O ATOM 401 CB SER A 38 -2.902 -6.690 11.316 1.00 0.00 C ATOM 402 OG SER A 38 -4.165 -6.735 11.967 1.00 0.00 O ATOM 0 H SER A 38 -0.935 -6.374 9.748 1.00 0.00 H new ATOM 0 HA SER A 38 -3.757 -6.995 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.416 -7.663 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.258 -5.970 11.820 1.00 0.00 H new ATOM 0 HG SER A 38 -4.867 -6.916 11.307 1.00 0.00 H new ATOM 408 N ALA A 39 -4.926 -4.723 9.658 1.00 0.00 N ATOM 409 CA ALA A 39 -5.607 -3.437 9.413 1.00 0.00 C ATOM 410 C ALA A 39 -5.211 -2.399 10.477 1.00 0.00 C ATOM 411 O ALA A 39 -5.508 -2.565 11.669 1.00 0.00 O ATOM 412 CB ALA A 39 -7.131 -3.643 9.390 1.00 0.00 C ATOM 0 H ALA A 39 -5.567 -5.498 9.829 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.293 -3.056 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.625 -2.688 9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.392 -4.343 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.458 -4.044 10.349 1.00 0.00 H new ATOM 418 N GLY A 40 -4.536 -1.333 10.022 1.00 0.00 N ATOM 419 CA GLY A 40 -4.007 -0.288 10.896 1.00 0.00 C ATOM 420 C GLY A 40 -2.531 -0.013 10.661 1.00 0.00 C ATOM 421 O GLY A 40 -2.018 1.016 11.111 1.00 0.00 O ATOM 0 H GLY A 40 -4.344 -1.176 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.572 0.631 10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.156 -0.580 11.935 1.00 0.00 H new ATOM 425 N ASP A 41 -1.849 -0.925 9.940 1.00 0.00 N ATOM 426 CA ASP A 41 -0.400 -0.805 9.667 1.00 0.00 C ATOM 427 C ASP A 41 -0.109 0.291 8.628 1.00 0.00 C ATOM 428 O ASP A 41 -0.965 0.614 7.807 1.00 0.00 O ATOM 429 CB ASP A 41 0.187 -2.161 9.202 1.00 0.00 C ATOM 430 CG ASP A 41 1.723 -2.144 9.062 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.397 -1.635 9.986 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.261 -2.636 8.049 1.00 0.00 O ATOM 0 H ASP A 41 -2.279 -1.756 9.534 1.00 0.00 H new ATOM 0 HA ASP A 41 0.085 -0.517 10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.098 -2.936 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.256 -2.431 8.243 1.00 0.00 H new ATOM 437 N GLU A 42 1.107 0.856 8.685 1.00 0.00 N ATOM 438 CA GLU A 42 1.565 1.897 7.760 1.00 0.00 C ATOM 439 C GLU A 42 2.729 1.386 6.902 1.00 0.00 C ATOM 440 O GLU A 42 3.407 0.412 7.253 1.00 0.00 O ATOM 441 CB GLU A 42 2.000 3.154 8.537 1.00 0.00 C ATOM 442 CG GLU A 42 0.880 3.856 9.322 1.00 0.00 C ATOM 443 CD GLU A 42 1.361 5.164 9.961 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.907 5.134 11.084 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.246 6.226 9.316 1.00 0.00 O ATOM 0 H GLU A 42 1.805 0.598 9.383 1.00 0.00 H new ATOM 0 HA GLU A 42 0.734 2.156 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.791 2.876 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.431 3.866 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.044 4.065 8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.508 3.188 10.099 1.00 0.00 H new ATOM 452 N GLY A 43 2.931 2.059 5.771 1.00 0.00 N ATOM 453 CA GLY A 43 3.996 1.740 4.830 1.00 0.00 C ATOM 454 C GLY A 43 4.434 2.963 4.058 1.00 0.00 C ATOM 455 O GLY A 43 4.005 4.073 4.362 1.00 0.00 O ATOM 0 H GLY A 43 2.353 2.848 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.847 1.324 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.653 0.973 4.136 1.00 0.00 H new ATOM 459 N GLU A 44 5.283 2.770 3.045 1.00 0.00 N ATOM 460 CA GLU A 44 5.685 3.849 2.127 1.00 0.00 C ATOM 461 C GLU A 44 5.626 3.320 0.700 1.00 0.00 C ATOM 462 O GLU A 44 5.953 2.156 0.452 1.00 0.00 O ATOM 463 CB GLU A 44 7.104 4.387 2.453 1.00 0.00 C ATOM 464 CG GLU A 44 7.507 5.622 1.623 1.00 0.00 C ATOM 465 CD GLU A 44 8.912 6.142 1.947 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.882 5.663 1.332 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.049 7.018 2.828 1.00 0.00 O ATOM 0 H GLU A 44 5.711 1.868 2.835 1.00 0.00 H new ATOM 0 HA GLU A 44 4.997 4.686 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.152 4.641 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.831 3.593 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.456 5.371 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.784 6.419 1.797 1.00 0.00 H new ATOM 474 N PHE A 45 5.197 4.182 -0.225 1.00 0.00 N ATOM 475 CA PHE A 45 5.015 3.831 -1.632 1.00 0.00 C ATOM 476 C PHE A 45 6.372 3.856 -2.340 1.00 0.00 C ATOM 477 O PHE A 45 7.063 4.863 -2.302 1.00 0.00 O ATOM 478 CB PHE A 45 4.007 4.811 -2.268 1.00 0.00 C ATOM 479 CG PHE A 45 3.375 4.300 -3.557 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.389 3.312 -3.508 1.00 0.00 C ATOM 481 CD2 PHE A 45 3.731 4.808 -4.803 1.00 0.00 C ATOM 482 CE1 PHE A 45 1.788 2.858 -4.655 1.00 0.00 C ATOM 483 CE2 PHE A 45 3.124 4.353 -5.950 1.00 0.00 C ATOM 484 CZ PHE A 45 2.153 3.379 -5.873 1.00 0.00 C ATOM 0 H PHE A 45 4.964 5.153 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 45 4.611 2.824 -1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.217 5.022 -1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.513 5.755 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.095 2.900 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.494 5.569 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.029 2.092 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.408 4.759 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.676 3.023 -6.774 1.00 0.00 H new ATOM 494 N ARG A 46 6.759 2.724 -2.948 1.00 0.00 N ATOM 495 CA ARG A 46 8.116 2.537 -3.517 1.00 0.00 C ATOM 496 C ARG A 46 8.041 2.547 -5.047 1.00 0.00 C ATOM 497 O ARG A 46 8.845 3.195 -5.725 1.00 0.00 O ATOM 498 CB ARG A 46 8.720 1.192 -3.011 1.00 0.00 C ATOM 499 CG ARG A 46 8.343 0.825 -1.561 1.00 0.00 C ATOM 500 CD ARG A 46 8.966 1.761 -0.513 1.00 0.00 C ATOM 501 NE ARG A 46 10.384 1.454 -0.299 1.00 0.00 N ATOM 502 CZ ARG A 46 11.161 1.974 0.653 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.746 2.968 1.420 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.375 1.492 0.816 1.00 0.00 N ATOM 0 H ARG A 46 6.150 1.914 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 46 8.761 3.354 -3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.392 0.390 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.806 1.245 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.258 0.848 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.661 -0.198 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.861 2.796 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.425 1.667 0.429 1.00 0.00 H new ATOM 0 HE ARG A 46 10.815 0.783 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.811 3.356 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.360 3.347 2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.707 0.734 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.984 1.877 1.538 1.00 0.00 H new ATOM 518 N GLN A 47 7.051 1.800 -5.568 1.00 0.00 N ATOM 519 CA GLN A 47 6.801 1.646 -7.011 1.00 0.00 C ATOM 520 C GLN A 47 5.319 1.372 -7.254 1.00 0.00 C ATOM 521 O GLN A 47 4.615 0.891 -6.354 1.00 0.00 O ATOM 522 CB GLN A 47 7.669 0.507 -7.637 1.00 0.00 C ATOM 523 CG GLN A 47 7.386 -0.938 -7.130 1.00 0.00 C ATOM 524 CD GLN A 47 7.904 -1.188 -5.713 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.070 -0.951 -4.717 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.045 -1.589 -5.517 1.00 0.00 N flip ATOM 0 H GLN A 47 6.393 1.279 -4.989 1.00 0.00 H new ATOM 0 HA GLN A 47 7.086 2.578 -7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.527 0.524 -8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.718 0.735 -7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.312 -1.122 -7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.848 -1.653 -7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.667 -1.763 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.373 -1.748 -4.564 1.00 0.00 H new ATOM 535 N SER A 48 4.862 1.676 -8.481 1.00 0.00 N ATOM 536 CA SER A 48 3.476 1.454 -8.906 1.00 0.00 C ATOM 537 C SER A 48 3.422 0.474 -10.073 1.00 0.00 C ATOM 538 O SER A 48 4.411 0.279 -10.789 1.00 0.00 O ATOM 539 CB SER A 48 2.819 2.789 -9.314 1.00 0.00 C ATOM 540 OG SER A 48 3.504 3.407 -10.384 1.00 0.00 O ATOM 0 H SER A 48 5.450 2.085 -9.207 1.00 0.00 H new ATOM 0 HA SER A 48 2.927 1.029 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.783 2.611 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.802 3.462 -8.457 1.00 0.00 H new ATOM 0 HG SER A 48 3.058 4.248 -10.615 1.00 0.00 H new ATOM 546 N ASN A 49 2.251 -0.147 -10.233 1.00 0.00 N ATOM 547 CA ASN A 49 1.940 -1.046 -11.340 1.00 0.00 C ATOM 548 C ASN A 49 0.425 -1.009 -11.540 1.00 0.00 C ATOM 549 O ASN A 49 -0.344 -1.354 -10.643 1.00 0.00 O ATOM 550 CB ASN A 49 2.481 -2.491 -11.076 1.00 0.00 C ATOM 551 CG ASN A 49 2.588 -2.855 -9.582 1.00 0.00 C ATOM 552 OD1 ASN A 49 1.540 -3.393 -9.000 1.00 0.00 O flip ATOM 553 ND2 ASN A 49 3.620 -2.629 -8.953 1.00 0.00 N flip ATOM 0 H ASN A 49 1.476 -0.034 -9.579 1.00 0.00 H new ATOM 0 HA ASN A 49 2.437 -0.721 -12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.826 -3.209 -11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.465 -2.590 -11.535 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.423 -2.211 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.673 -2.860 -7.961 1.00 0.00 H new ATOM 560 N ASN A 50 0.024 -0.564 -12.732 1.00 0.00 N ATOM 561 CA ASN A 50 -1.378 -0.257 -13.076 1.00 0.00 C ATOM 562 C ASN A 50 -1.995 -1.410 -13.868 1.00 0.00 C ATOM 563 O ASN A 50 -3.215 -1.478 -14.027 1.00 0.00 O ATOM 564 CB ASN A 50 -1.424 1.073 -13.877 1.00 0.00 C ATOM 565 CG ASN A 50 -0.675 2.208 -13.167 1.00 0.00 C ATOM 566 OD1 ASN A 50 -0.641 2.277 -11.936 1.00 0.00 O ATOM 567 ND2 ASN A 50 -0.030 3.070 -13.932 1.00 0.00 N ATOM 0 H ASN A 50 0.671 -0.402 -13.504 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.965 -0.137 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.989 0.915 -14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.463 1.366 -14.030 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.516 3.820 -13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.078 2.986 -14.947 1.00 0.00 H new ATOM 574 N GLY A 51 -1.130 -2.305 -14.388 1.00 0.00 N ATOM 575 CA GLY A 51 -1.563 -3.577 -14.956 1.00 0.00 C ATOM 576 C GLY A 51 -1.738 -4.647 -13.880 1.00 0.00 C ATOM 577 O GLY A 51 -2.410 -5.660 -14.105 1.00 0.00 O ATOM 0 H GLY A 51 -0.121 -2.158 -14.421 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.505 -3.437 -15.486 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.832 -3.915 -15.690 1.00 0.00 H new ATOM 581 N ILE A 52 -1.094 -4.426 -12.710 1.00 0.00 N ATOM 582 CA ILE A 52 -1.142 -5.342 -11.558 1.00 0.00 C ATOM 583 C ILE A 52 -1.865 -4.603 -10.407 1.00 0.00 C ATOM 584 O ILE A 52 -1.249 -3.767 -9.745 1.00 0.00 O ATOM 585 CB ILE A 52 0.308 -5.787 -11.080 1.00 0.00 C ATOM 586 CG1 ILE A 52 1.162 -6.451 -12.230 1.00 0.00 C ATOM 587 CG2 ILE A 52 0.239 -6.731 -9.849 1.00 0.00 C ATOM 588 CD1 ILE A 52 1.786 -5.498 -13.244 1.00 0.00 C ATOM 0 H ILE A 52 -0.523 -3.598 -12.543 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.670 -6.250 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 52 0.818 -4.868 -10.790 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.961 -7.033 -11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.525 -7.153 -12.767 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.248 -7.014 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.253 -6.217 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.327 -7.626 -10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.347 -6.070 -13.983 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.000 -4.932 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.458 -4.810 -12.731 1.00 0.00 H new ATOM 600 N PRO A 53 -3.198 -4.854 -10.176 1.00 0.00 N ATOM 601 CA PRO A 53 -3.963 -4.146 -9.117 1.00 0.00 C ATOM 602 C PRO A 53 -3.412 -4.289 -7.647 1.00 0.00 C ATOM 603 O PRO A 53 -3.617 -3.362 -6.854 1.00 0.00 O ATOM 604 CB PRO A 53 -5.423 -4.671 -9.272 1.00 0.00 C ATOM 605 CG PRO A 53 -5.310 -5.932 -10.090 1.00 0.00 C ATOM 606 CD PRO A 53 -4.074 -5.772 -10.961 1.00 0.00 C ATOM 0 HA PRO A 53 -3.877 -3.069 -9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.873 -4.872 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.054 -3.935 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.220 -6.806 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.200 -6.078 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.587 -6.730 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.323 -5.351 -11.935 1.00 0.00 H new ATOM 614 N PRO A 54 -2.750 -5.421 -7.212 1.00 0.00 N ATOM 615 CA PRO A 54 -1.993 -5.408 -5.949 1.00 0.00 C ATOM 616 C PRO A 54 -0.596 -4.740 -6.117 1.00 0.00 C ATOM 617 O PRO A 54 0.357 -5.353 -6.618 1.00 0.00 O ATOM 618 CB PRO A 54 -1.928 -6.902 -5.563 1.00 0.00 C ATOM 619 CG PRO A 54 -1.920 -7.631 -6.868 1.00 0.00 C ATOM 620 CD PRO A 54 -2.767 -6.788 -7.805 1.00 0.00 C ATOM 0 HA PRO A 54 -2.458 -4.809 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.033 -7.122 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.784 -7.191 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.905 -7.743 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.333 -8.634 -6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.356 -6.786 -8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.783 -7.176 -7.875 1.00 0.00 H new ATOM 628 N VAL A 55 -0.524 -3.450 -5.734 1.00 0.00 N ATOM 629 CA VAL A 55 0.693 -2.617 -5.835 1.00 0.00 C ATOM 630 C VAL A 55 1.649 -2.847 -4.639 1.00 0.00 C ATOM 631 O VAL A 55 1.215 -3.245 -3.554 1.00 0.00 O ATOM 632 CB VAL A 55 0.310 -1.099 -5.965 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.411 -0.567 -4.693 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.544 -0.242 -6.331 1.00 0.00 C ATOM 0 H VAL A 55 -1.320 -2.949 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 55 1.227 -2.919 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.404 -1.012 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.657 0.486 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.327 -1.135 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.245 -0.679 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.249 0.804 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.302 -0.344 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.953 -0.581 -7.283 1.00 0.00 H new ATOM 644 N GLN A 56 2.965 -2.589 -4.852 1.00 0.00 N ATOM 645 CA GLN A 56 4.014 -2.902 -3.872 1.00 0.00 C ATOM 646 C GLN A 56 4.327 -1.663 -2.994 1.00 0.00 C ATOM 647 O GLN A 56 4.567 -0.558 -3.503 1.00 0.00 O ATOM 648 CB GLN A 56 5.291 -3.409 -4.593 1.00 0.00 C ATOM 649 CG GLN A 56 5.205 -4.819 -5.221 1.00 0.00 C ATOM 650 CD GLN A 56 4.377 -4.881 -6.504 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.897 -4.724 -7.607 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.083 -5.100 -6.364 1.00 0.00 N ATOM 0 H GLN A 56 3.318 -2.160 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 56 3.654 -3.696 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.546 -2.698 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.114 -3.402 -3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.214 -5.172 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.776 -5.505 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.685 -5.226 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.481 -5.143 -7.186 1.00 0.00 H new ATOM 661 N VAL A 57 4.305 -1.878 -1.670 1.00 0.00 N ATOM 662 CA VAL A 57 4.586 -0.855 -0.629 1.00 0.00 C ATOM 663 C VAL A 57 5.398 -1.509 0.493 1.00 0.00 C ATOM 664 O VAL A 57 5.113 -2.651 0.860 1.00 0.00 O ATOM 665 CB VAL A 57 3.245 -0.238 -0.020 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.939 1.160 -0.574 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.043 -1.174 -0.262 1.00 0.00 C ATOM 0 H VAL A 57 4.086 -2.792 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 57 5.143 -0.040 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 57 3.411 -0.140 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.017 1.534 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.760 1.835 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.822 1.105 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.144 -0.729 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.905 -1.319 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.230 -2.137 0.213 1.00 0.00 H new ATOM 677 N PHE A 58 6.390 -0.779 1.039 1.00 0.00 N ATOM 678 CA PHE A 58 7.226 -1.269 2.155 1.00 0.00 C ATOM 679 C PHE A 58 6.464 -1.049 3.469 1.00 0.00 C ATOM 680 O PHE A 58 6.348 0.082 3.930 1.00 0.00 O ATOM 681 CB PHE A 58 8.598 -0.525 2.175 1.00 0.00 C ATOM 682 CG PHE A 58 9.623 -1.008 3.221 1.00 0.00 C ATOM 683 CD1 PHE A 58 9.535 -0.612 4.562 1.00 0.00 C ATOM 684 CD2 PHE A 58 10.686 -1.836 2.856 1.00 0.00 C ATOM 685 CE1 PHE A 58 10.465 -1.032 5.495 1.00 0.00 C ATOM 686 CE2 PHE A 58 11.619 -2.251 3.789 1.00 0.00 C ATOM 687 CZ PHE A 58 11.508 -1.849 5.108 1.00 0.00 C ATOM 0 H PHE A 58 6.634 0.160 0.723 1.00 0.00 H new ATOM 0 HA PHE A 58 7.431 -2.332 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.050 -0.614 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.410 0.535 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.726 0.033 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.781 -2.157 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.375 -0.721 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.436 -2.890 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.237 -2.174 5.835 1.00 0.00 H new ATOM 697 N TRP A 59 5.964 -2.142 4.046 1.00 0.00 N ATOM 698 CA TRP A 59 5.205 -2.141 5.304 1.00 0.00 C ATOM 699 C TRP A 59 6.150 -2.279 6.495 1.00 0.00 C ATOM 700 O TRP A 59 7.015 -3.163 6.501 1.00 0.00 O ATOM 701 CB TRP A 59 4.170 -3.282 5.290 1.00 0.00 C ATOM 702 CG TRP A 59 3.159 -3.117 4.190 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.126 -3.757 2.984 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.051 -2.208 4.196 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.049 -3.325 2.257 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.377 -2.367 2.985 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.561 -1.288 5.123 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.238 -1.629 2.671 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.439 -0.555 4.814 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.213 -0.728 3.592 1.00 0.00 C ATOM 0 H TRP A 59 6.076 -3.074 3.646 1.00 0.00 H new ATOM 0 HA TRP A 59 4.676 -1.193 5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.684 -4.235 5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.657 -3.317 6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.843 -4.494 2.653 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.787 -3.658 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.057 -1.153 6.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.272 -1.765 1.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.058 0.163 5.525 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.090 -0.138 3.371 1.00 0.00 H new ATOM 721 N GLN A 60 5.973 -1.400 7.491 1.00 0.00 N ATOM 722 CA GLN A 60 6.836 -1.330 8.682 1.00 0.00 C ATOM 723 C GLN A 60 6.655 -2.555 9.606 1.00 0.00 C ATOM 724 O GLN A 60 7.579 -2.900 10.347 1.00 0.00 O ATOM 725 CB GLN A 60 6.563 -0.025 9.469 1.00 0.00 C ATOM 726 CG GLN A 60 5.124 0.086 9.989 1.00 0.00 C ATOM 727 CD GLN A 60 4.848 1.290 10.866 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.438 2.354 10.712 1.00 0.00 O ATOM 729 NE2 GLN A 60 3.958 1.103 11.811 1.00 0.00 N ATOM 0 H GLN A 60 5.221 -0.711 7.494 1.00 0.00 H new ATOM 0 HA GLN A 60 7.869 -1.333 8.333 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.251 0.032 10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.775 0.829 8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.447 0.115 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.887 -0.816 10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.492 0.200 11.901 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.732 1.860 12.456 1.00 0.00 H new ATOM 738 N SER A 61 5.458 -3.194 9.570 1.00 0.00 N ATOM 739 CA SER A 61 5.152 -4.336 10.456 1.00 0.00 C ATOM 740 C SER A 61 5.988 -5.576 10.076 1.00 0.00 C ATOM 741 O SER A 61 6.522 -6.267 10.948 1.00 0.00 O ATOM 742 CB SER A 61 3.648 -4.693 10.413 1.00 0.00 C ATOM 743 OG SER A 61 3.304 -5.645 11.405 1.00 0.00 O ATOM 0 H SER A 61 4.697 -2.937 8.941 1.00 0.00 H new ATOM 0 HA SER A 61 5.412 -4.032 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.056 -3.789 10.556 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.396 -5.087 9.428 1.00 0.00 H new ATOM 0 HG SER A 61 2.346 -5.845 11.348 1.00 0.00 H new ATOM 749 N THR A 62 6.074 -5.849 8.763 1.00 0.00 N ATOM 750 CA THR A 62 6.763 -7.037 8.224 1.00 0.00 C ATOM 751 C THR A 62 8.221 -6.720 7.828 1.00 0.00 C ATOM 752 O THR A 62 9.093 -7.597 7.895 1.00 0.00 O ATOM 753 CB THR A 62 5.977 -7.630 7.010 1.00 0.00 C ATOM 754 OG1 THR A 62 6.672 -8.777 6.497 1.00 0.00 O ATOM 755 CG2 THR A 62 5.754 -6.601 5.879 1.00 0.00 C ATOM 0 H THR A 62 5.667 -5.252 8.043 1.00 0.00 H new ATOM 0 HA THR A 62 6.793 -7.785 9.016 1.00 0.00 H new ATOM 0 HB THR A 62 4.991 -7.918 7.376 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.333 -8.992 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.203 -7.070 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.183 -5.756 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.718 -6.250 5.511 1.00 0.00 H new ATOM 763 N GLY A 63 8.473 -5.463 7.416 1.00 0.00 N ATOM 764 CA GLY A 63 9.821 -5.000 7.068 1.00 0.00 C ATOM 765 C GLY A 63 10.185 -5.178 5.597 1.00 0.00 C ATOM 766 O GLY A 63 11.373 -5.251 5.264 1.00 0.00 O ATOM 0 H GLY A 63 7.752 -4.749 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.908 -3.945 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.546 -5.539 7.678 1.00 0.00 H new ATOM 770 N ARG A 64 9.174 -5.253 4.713 1.00 0.00 N ATOM 771 CA ARG A 64 9.395 -5.524 3.271 1.00 0.00 C ATOM 772 C ARG A 64 8.263 -4.954 2.405 1.00 0.00 C ATOM 773 O ARG A 64 7.267 -4.458 2.934 1.00 0.00 O ATOM 774 CB ARG A 64 9.527 -7.051 3.063 1.00 0.00 C ATOM 775 CG ARG A 64 8.339 -7.855 3.629 1.00 0.00 C ATOM 776 CD ARG A 64 8.545 -9.363 3.522 1.00 0.00 C ATOM 777 NE ARG A 64 8.617 -9.804 2.113 1.00 0.00 N ATOM 778 CZ ARG A 64 7.731 -10.606 1.500 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.669 -11.081 2.148 1.00 0.00 N ATOM 780 NH2 ARG A 64 7.899 -10.911 0.224 1.00 0.00 N ATOM 0 H ARG A 64 8.194 -5.130 4.967 1.00 0.00 H new ATOM 0 HA ARG A 64 10.313 -5.027 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.620 -7.258 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.447 -7.396 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.189 -7.586 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.430 -7.578 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.463 -9.643 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.727 -9.879 4.024 1.00 0.00 H new ATOM 0 HE ARG A 64 9.406 -9.471 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.518 -10.837 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.007 -11.689 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.698 -10.538 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.230 -11.520 -0.247 1.00 0.00 H new ATOM 794 N THR A 65 8.405 -5.092 1.068 1.00 0.00 N ATOM 795 CA THR A 65 7.345 -4.740 0.106 1.00 0.00 C ATOM 796 C THR A 65 6.367 -5.909 -0.020 1.00 0.00 C ATOM 797 O THR A 65 6.775 -7.080 0.013 1.00 0.00 O ATOM 798 CB THR A 65 7.908 -4.392 -1.325 1.00 0.00 C ATOM 799 OG1 THR A 65 9.008 -5.258 -1.644 1.00 0.00 O ATOM 800 CG2 THR A 65 8.337 -2.920 -1.459 1.00 0.00 C ATOM 0 H THR A 65 9.254 -5.449 0.630 1.00 0.00 H new ATOM 0 HA THR A 65 6.848 -3.849 0.490 1.00 0.00 H new ATOM 0 HB THR A 65 7.094 -4.549 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.351 -5.037 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.716 -2.742 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.480 -2.273 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.120 -2.702 -0.733 1.00 0.00 H new ATOM 808 N TYR A 66 5.073 -5.585 -0.153 1.00 0.00 N ATOM 809 CA TYR A 66 4.033 -6.594 -0.345 1.00 0.00 C ATOM 810 C TYR A 66 2.941 -6.054 -1.272 1.00 0.00 C ATOM 811 O TYR A 66 2.726 -4.838 -1.375 1.00 0.00 O ATOM 812 CB TYR A 66 3.444 -7.047 1.024 1.00 0.00 C ATOM 813 CG TYR A 66 2.988 -8.516 1.048 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.937 -9.540 0.987 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.642 -8.889 1.145 1.00 0.00 C ATOM 816 CE1 TYR A 66 3.565 -10.866 1.025 1.00 0.00 C ATOM 817 CE2 TYR A 66 1.276 -10.220 1.188 1.00 0.00 C ATOM 818 CZ TYR A 66 2.238 -11.201 1.132 1.00 0.00 C ATOM 819 OH TYR A 66 1.868 -12.523 1.182 1.00 0.00 O ATOM 0 H TYR A 66 4.725 -4.626 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 66 4.476 -7.471 -0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.195 -6.897 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.596 -6.409 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.984 -9.287 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.879 -8.125 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.316 -11.640 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.233 -10.491 1.266 1.00 0.00 H new ATOM 0 HH TYR A 66 2.584 -13.047 1.598 1.00 0.00 H new ATOM 829 N TRP A 67 2.263 -6.999 -1.922 1.00 0.00 N ATOM 830 CA TRP A 67 1.226 -6.750 -2.924 1.00 0.00 C ATOM 831 C TRP A 67 -0.099 -6.461 -2.210 1.00 0.00 C ATOM 832 O TRP A 67 -0.600 -7.325 -1.500 1.00 0.00 O ATOM 833 CB TRP A 67 1.095 -8.014 -3.820 1.00 0.00 C ATOM 834 CG TRP A 67 2.390 -8.452 -4.470 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.848 -8.099 -5.703 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.390 -9.327 -3.912 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.057 -8.689 -5.947 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.413 -9.447 -4.866 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.517 -10.016 -2.698 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.552 -10.219 -4.648 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.645 -10.787 -2.483 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.650 -10.884 -3.454 1.00 0.00 C ATOM 0 H TRP A 67 2.426 -7.993 -1.760 1.00 0.00 H new ATOM 0 HA TRP A 67 1.485 -5.892 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.709 -8.835 -3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.359 -7.818 -4.599 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.330 -7.446 -6.390 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.606 -8.581 -6.800 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.747 -9.946 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.330 -10.291 -5.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.753 -11.323 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.519 -11.495 -3.258 1.00 0.00 H new ATOM 853 N VAL A 68 -0.634 -5.233 -2.363 1.00 0.00 N ATOM 854 CA VAL A 68 -1.916 -4.817 -1.739 1.00 0.00 C ATOM 855 C VAL A 68 -2.748 -4.010 -2.752 1.00 0.00 C ATOM 856 O VAL A 68 -2.193 -3.261 -3.560 1.00 0.00 O ATOM 857 CB VAL A 68 -1.713 -3.959 -0.427 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.850 -4.706 0.631 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.138 -2.552 -0.738 1.00 0.00 C ATOM 0 H VAL A 68 -0.195 -4.500 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.439 -5.729 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.702 -3.815 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.736 -4.080 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.341 -5.639 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.132 -4.923 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.014 -1.996 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.171 -2.655 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.824 -2.015 -1.393 1.00 0.00 H new ATOM 869 N HIS A 69 -4.077 -4.162 -2.701 1.00 0.00 N ATOM 870 CA HIS A 69 -4.992 -3.495 -3.651 1.00 0.00 C ATOM 871 C HIS A 69 -5.025 -1.971 -3.404 1.00 0.00 C ATOM 872 O HIS A 69 -4.910 -1.528 -2.254 1.00 0.00 O ATOM 873 CB HIS A 69 -6.409 -4.105 -3.531 1.00 0.00 C ATOM 874 CG HIS A 69 -7.372 -3.676 -4.605 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.665 -3.279 -4.348 1.00 0.00 N ATOM 876 CD2 HIS A 69 -7.228 -3.626 -5.951 1.00 0.00 C ATOM 877 CE1 HIS A 69 -9.272 -3.003 -5.484 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.421 -3.203 -6.471 1.00 0.00 N ATOM 0 H HIS A 69 -4.550 -4.744 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.626 -3.658 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.325 -5.192 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.825 -3.835 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.338 -3.874 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.294 -2.669 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.620 -3.065 -7.462 1.00 0.00 H new ATOM 887 N TRP A 70 -5.205 -1.192 -4.493 1.00 0.00 N ATOM 888 CA TRP A 70 -5.195 0.288 -4.451 1.00 0.00 C ATOM 889 C TRP A 70 -6.292 0.839 -3.511 1.00 0.00 C ATOM 890 O TRP A 70 -6.028 1.710 -2.694 1.00 0.00 O ATOM 891 CB TRP A 70 -5.387 0.878 -5.870 1.00 0.00 C ATOM 892 CG TRP A 70 -4.301 0.529 -6.862 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.269 -0.546 -7.705 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.103 1.275 -7.122 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.129 -0.522 -8.466 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.399 0.595 -8.133 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.566 2.460 -6.601 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.184 1.058 -8.629 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.357 2.916 -7.092 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.681 2.218 -8.102 1.00 0.00 C ATOM 0 H TRP A 70 -5.361 -1.571 -5.427 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.223 0.591 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.342 0.532 -6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.449 1.963 -5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.033 -1.307 -7.763 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.866 -1.218 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.087 3.007 -5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.656 0.521 -9.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.927 3.823 -6.692 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.257 2.603 -8.473 1.00 0.00 H new ATOM 911 N HIS A 71 -7.518 0.292 -3.628 1.00 0.00 N ATOM 912 CA HIS A 71 -8.694 0.726 -2.819 1.00 0.00 C ATOM 913 C HIS A 71 -8.502 0.426 -1.315 1.00 0.00 C ATOM 914 O HIS A 71 -9.120 1.063 -0.454 1.00 0.00 O ATOM 915 CB HIS A 71 -9.969 0.032 -3.364 1.00 0.00 C ATOM 916 CG HIS A 71 -11.262 0.506 -2.749 1.00 0.00 C ATOM 917 ND1 HIS A 71 -11.975 -0.233 -1.833 1.00 0.00 N ATOM 918 CD2 HIS A 71 -11.985 1.633 -2.952 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.073 0.412 -1.506 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.100 1.545 -2.168 1.00 0.00 N ATOM 0 H HIS A 71 -7.730 -0.462 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.799 1.807 -2.911 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.017 0.188 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.878 -1.042 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.728 2.449 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.825 0.068 -0.811 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.837 2.248 -2.107 1.00 0.00 H new ATOM 929 N MET A 72 -7.632 -0.549 -1.030 1.00 0.00 N ATOM 930 CA MET A 72 -7.288 -0.979 0.336 1.00 0.00 C ATOM 931 C MET A 72 -6.092 -0.180 0.883 1.00 0.00 C ATOM 932 O MET A 72 -5.820 -0.192 2.088 1.00 0.00 O ATOM 933 CB MET A 72 -6.985 -2.495 0.298 1.00 0.00 C ATOM 934 CG MET A 72 -8.208 -3.368 -0.038 1.00 0.00 C ATOM 935 SD MET A 72 -7.778 -5.012 -0.647 1.00 0.00 S ATOM 936 CE MET A 72 -6.479 -5.492 0.474 1.00 0.00 C ATOM 0 H MET A 72 -7.137 -1.072 -1.752 1.00 0.00 H new ATOM 0 HA MET A 72 -8.123 -0.788 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.205 -2.681 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.588 -2.800 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.827 -3.470 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.812 -2.858 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.413 -6.579 0.511 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.530 -5.083 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.698 -5.108 1.470 1.00 0.00 H new ATOM 946 N LEU A 73 -5.398 0.519 -0.025 1.00 0.00 N ATOM 947 CA LEU A 73 -4.289 1.407 0.304 1.00 0.00 C ATOM 948 C LEU A 73 -4.876 2.814 0.533 1.00 0.00 C ATOM 949 O LEU A 73 -5.527 3.382 -0.347 1.00 0.00 O ATOM 950 CB LEU A 73 -3.233 1.355 -0.852 1.00 0.00 C ATOM 951 CG LEU A 73 -1.870 2.124 -0.648 1.00 0.00 C ATOM 952 CD1 LEU A 73 -0.774 1.582 -1.595 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.026 3.656 -0.837 1.00 0.00 C ATOM 0 H LEU A 73 -5.600 0.478 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.768 1.105 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.000 0.308 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.705 1.746 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.565 1.945 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.153 2.132 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.609 0.524 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.092 1.708 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.062 4.141 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.383 3.864 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.743 4.041 -0.112 1.00 0.00 H new ATOM 965 N GLU A 74 -4.634 3.351 1.730 1.00 0.00 N ATOM 966 CA GLU A 74 -5.162 4.646 2.178 1.00 0.00 C ATOM 967 C GLU A 74 -3.995 5.555 2.579 1.00 0.00 C ATOM 968 O GLU A 74 -3.193 5.184 3.427 1.00 0.00 O ATOM 969 CB GLU A 74 -6.106 4.428 3.388 1.00 0.00 C ATOM 970 CG GLU A 74 -6.612 5.725 4.043 1.00 0.00 C ATOM 971 CD GLU A 74 -7.407 5.470 5.326 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.783 5.230 6.378 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.649 5.489 5.294 1.00 0.00 O ATOM 0 H GLU A 74 -4.054 2.890 2.431 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.723 5.116 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.965 3.841 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.583 3.836 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.762 6.368 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.239 6.264 3.333 1.00 0.00 H new ATOM 980 N ILE A 75 -3.911 6.756 1.994 1.00 0.00 N ATOM 981 CA ILE A 75 -2.812 7.701 2.284 1.00 0.00 C ATOM 982 C ILE A 75 -3.250 8.792 3.275 1.00 0.00 C ATOM 983 O ILE A 75 -4.194 9.542 3.025 1.00 0.00 O ATOM 984 CB ILE A 75 -2.228 8.352 0.973 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.373 8.902 0.054 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.325 7.341 0.233 1.00 0.00 C ATOM 987 CD1 ILE A 75 -2.903 9.552 -1.234 1.00 0.00 C ATOM 0 H ILE A 75 -4.589 7.102 1.315 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.017 7.117 2.748 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.612 9.207 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.045 8.081 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.955 9.630 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.927 7.802 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.501 7.046 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.909 6.460 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.766 9.901 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.257 10.398 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.348 8.825 -1.827 1.00 0.00 H new ATOM 999 N LEU A 76 -2.570 8.825 4.430 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.608 9.963 5.374 1.00 0.00 C ATOM 1001 C LEU A 76 -1.269 10.723 5.284 1.00 0.00 C ATOM 1002 O LEU A 76 -0.996 11.614 6.096 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.866 9.493 6.843 1.00 0.00 C ATOM 1004 CG LEU A 76 -4.232 8.786 7.142 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -4.291 7.364 6.553 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.534 8.764 8.660 1.00 0.00 C ATOM 0 H LEU A 76 -1.972 8.060 4.742 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.435 10.618 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.064 8.810 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.787 10.363 7.494 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.005 9.375 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.256 6.914 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.164 7.413 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.494 6.758 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.488 8.267 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.743 8.224 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.583 9.786 9.036 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.447 10.352 4.277 1.00 0.00 N ATOM 1019 CA GLY A 77 0.892 10.890 4.105 1.00 0.00 C ATOM 1020 C GLY A 77 0.904 12.240 3.399 1.00 0.00 C ATOM 1021 O GLY A 77 0.528 12.309 2.223 1.00 0.00 O ATOM 0 H GLY A 77 -0.708 9.668 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.365 10.993 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.492 10.182 3.533 1.00 0.00 H new TER 1025 GLY A 77