USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 506 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: C 16 TYR OH : rot 101:sc= 2.59 USER MOD Set 1.2: C 18 SER OG : rot 62:sc= 0.532 USER MOD Single : C 9 THR OG1 : rot 31:sc= 0.137 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 THR OG1 : rot -140:sc= -0.0603 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 180:sc= 0.0509 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : C 36 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.3!) USER MOD Single : C 37 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HD1:sc= -8.65! C(o=-8.7!,f=-5.6!) USER MOD Single : C 47 SER OG : rot 180:sc=0.000378 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot -85:sc= 1.27 USER MOD Single : C 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 TYR OH : rot 16:sc= 0.779 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.834 2.667 -25.452 1.00 0.00 N ATOM 2 CA THR C 9 4.438 3.121 -25.197 1.00 0.00 C ATOM 3 C THR C 9 3.891 2.414 -23.955 1.00 0.00 C ATOM 4 O THR C 9 3.024 1.567 -24.042 1.00 0.00 O ATOM 5 CB THR C 9 3.564 2.781 -26.406 1.00 0.00 C ATOM 6 OG1 THR C 9 4.116 3.380 -27.571 1.00 0.00 O ATOM 7 CG2 THR C 9 2.147 3.309 -26.180 1.00 0.00 C ATOM 0 HA THR C 9 4.429 4.199 -25.034 1.00 0.00 H new ATOM 0 HB THR C 9 3.528 1.699 -26.536 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.090 3.439 -27.478 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.526 3.066 -27.042 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.725 2.848 -25.287 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.178 4.391 -26.049 1.00 0.00 H new ATOM 14 N PHE C 10 4.393 2.753 -22.799 1.00 0.00 N ATOM 15 CA PHE C 10 3.904 2.100 -21.552 1.00 0.00 C ATOM 16 C PHE C 10 2.589 2.752 -21.117 1.00 0.00 C ATOM 17 O PHE C 10 2.308 3.885 -21.449 1.00 0.00 O ATOM 18 CB PHE C 10 4.948 2.271 -20.446 1.00 0.00 C ATOM 19 CG PHE C 10 6.027 1.197 -20.593 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.569 0.913 -21.834 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.473 0.493 -19.489 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.539 -0.058 -21.968 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.443 -0.479 -19.624 1.00 0.00 C ATOM 24 CZ PHE C 10 7.976 -0.754 -20.864 1.00 0.00 C ATOM 0 H PHE C 10 5.121 3.454 -22.664 1.00 0.00 H new ATOM 0 HA PHE C 10 3.739 1.038 -21.737 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.397 3.263 -20.505 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.473 2.193 -19.468 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.230 1.456 -22.704 1.00 0.00 H new ATOM 0 HD2 PHE C 10 6.059 0.706 -18.514 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.956 -0.273 -22.941 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.785 -1.025 -18.757 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.736 -1.514 -20.970 1.00 0.00 H new ATOM 34 N VAL C 11 1.781 2.044 -20.374 1.00 0.00 N ATOM 35 CA VAL C 11 0.487 2.624 -19.919 1.00 0.00 C ATOM 36 C VAL C 11 0.395 2.533 -18.394 1.00 0.00 C ATOM 37 O VAL C 11 0.770 1.543 -17.798 1.00 0.00 O ATOM 38 CB VAL C 11 -0.671 1.844 -20.546 1.00 0.00 C ATOM 39 CG1 VAL C 11 -1.904 2.746 -20.633 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.276 1.384 -21.951 1.00 0.00 C ATOM 0 H VAL C 11 1.962 1.090 -20.063 1.00 0.00 H new ATOM 0 HA VAL C 11 0.430 3.668 -20.225 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.899 0.974 -19.930 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.730 2.192 -21.079 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.186 3.074 -19.633 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.676 3.616 -21.249 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.101 0.829 -22.397 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.048 2.253 -22.568 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.603 0.742 -21.890 1.00 0.00 H new ATOM 50 N ALA C 12 -0.101 3.560 -17.758 1.00 0.00 N ATOM 51 CA ALA C 12 -0.214 3.529 -16.272 1.00 0.00 C ATOM 52 C ALA C 12 -1.306 2.535 -15.864 1.00 0.00 C ATOM 53 O ALA C 12 -2.483 2.799 -16.004 1.00 0.00 O ATOM 54 CB ALA C 12 -0.574 4.924 -15.757 1.00 0.00 C ATOM 0 H ALA C 12 -0.432 4.417 -18.202 1.00 0.00 H new ATOM 0 HA ALA C 12 0.738 3.219 -15.842 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.656 4.901 -14.670 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.204 5.631 -16.047 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.526 5.236 -16.186 1.00 0.00 H new ATOM 60 N LEU C 13 -0.920 1.395 -15.361 1.00 0.00 N ATOM 61 CA LEU C 13 -1.931 0.383 -14.943 1.00 0.00 C ATOM 62 C LEU C 13 -2.597 0.833 -13.642 1.00 0.00 C ATOM 63 O LEU C 13 -3.801 0.755 -13.491 1.00 0.00 O ATOM 64 CB LEU C 13 -1.240 -0.965 -14.719 1.00 0.00 C ATOM 65 CG LEU C 13 -1.011 -1.652 -16.067 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.110 -2.873 -15.869 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.354 -2.098 -16.647 1.00 0.00 C ATOM 0 H LEU C 13 0.052 1.120 -15.221 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.686 0.282 -15.723 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.289 -0.817 -14.208 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -1.853 -1.597 -14.076 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.533 -0.954 -16.754 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.054 -3.364 -16.828 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.847 -2.556 -15.455 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.589 -3.571 -15.182 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -2.191 -2.587 -17.607 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.833 -2.796 -15.961 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.996 -1.229 -16.787 1.00 0.00 H new ATOM 79 N TYR C 14 -1.827 1.304 -12.700 1.00 0.00 N ATOM 80 CA TYR C 14 -2.422 1.756 -11.413 1.00 0.00 C ATOM 81 C TYR C 14 -2.021 3.206 -11.136 1.00 0.00 C ATOM 82 O TYR C 14 -0.927 3.629 -11.453 1.00 0.00 O ATOM 83 CB TYR C 14 -1.925 0.857 -10.281 1.00 0.00 C ATOM 84 CG TYR C 14 -2.536 -0.533 -10.449 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.300 -1.262 -11.593 1.00 0.00 C ATOM 86 CD2 TYR C 14 -3.346 -1.068 -9.471 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.863 -2.508 -11.762 1.00 0.00 C ATOM 88 CE2 TYR C 14 -3.912 -2.317 -9.636 1.00 0.00 C ATOM 89 CZ TYR C 14 -3.674 -3.046 -10.783 1.00 0.00 C ATOM 90 OH TYR C 14 -4.239 -4.294 -10.950 1.00 0.00 O ATOM 0 H TYR C 14 -0.813 1.395 -12.767 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.508 1.694 -11.476 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.837 0.795 -10.299 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.205 1.278 -9.315 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -1.667 -0.853 -12.366 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -3.540 -0.507 -8.569 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.669 -3.067 -12.665 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -4.545 -2.726 -8.862 1.00 0.00 H new ATOM 0 HH TYR C 14 -4.779 -4.516 -10.163 1.00 0.00 H new ATOM 100 N ASP C 15 -2.898 3.971 -10.547 1.00 0.00 N ATOM 101 CA ASP C 15 -2.571 5.391 -10.249 1.00 0.00 C ATOM 102 C ASP C 15 -1.362 5.452 -9.314 1.00 0.00 C ATOM 103 O ASP C 15 -1.362 4.876 -8.244 1.00 0.00 O ATOM 104 CB ASP C 15 -3.774 6.049 -9.573 1.00 0.00 C ATOM 105 CG ASP C 15 -4.373 5.084 -8.547 1.00 0.00 C ATOM 106 OD1 ASP C 15 -5.230 4.302 -8.927 1.00 0.00 O ATOM 107 OD2 ASP C 15 -3.964 5.143 -7.399 1.00 0.00 O ATOM 0 H ASP C 15 -3.830 3.672 -10.259 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.336 5.917 -11.175 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -3.469 6.974 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.523 6.315 -10.319 1.00 0.00 H new ATOM 112 N TYR C 16 -0.328 6.144 -9.709 1.00 0.00 N ATOM 113 CA TYR C 16 0.879 6.240 -8.842 1.00 0.00 C ATOM 114 C TYR C 16 0.761 7.465 -7.935 1.00 0.00 C ATOM 115 O TYR C 16 0.694 8.587 -8.398 1.00 0.00 O ATOM 116 CB TYR C 16 2.128 6.373 -9.716 1.00 0.00 C ATOM 117 CG TYR C 16 3.351 6.613 -8.831 1.00 0.00 C ATOM 118 CD1 TYR C 16 3.373 6.166 -7.526 1.00 0.00 C ATOM 119 CD2 TYR C 16 4.454 7.280 -9.327 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.478 6.381 -6.729 1.00 0.00 C ATOM 121 CE2 TYR C 16 5.559 7.496 -8.531 1.00 0.00 C ATOM 122 CZ TYR C 16 5.580 7.049 -7.225 1.00 0.00 C ATOM 123 OH TYR C 16 6.685 7.265 -6.427 1.00 0.00 O ATOM 0 H TYR C 16 -0.268 6.647 -10.595 1.00 0.00 H new ATOM 0 HA TYR C 16 0.957 5.341 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR C 16 2.267 5.469 -10.309 1.00 0.00 H new ATOM 0 HB3 TYR C 16 2.007 7.198 -10.418 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.517 5.643 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR C 16 4.451 7.635 -10.347 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.481 6.024 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR C 16 6.415 8.019 -8.932 1.00 0.00 H new ATOM 0 HH TYR C 16 7.382 6.614 -6.650 1.00 0.00 H new ATOM 133 N GLU C 17 0.734 7.258 -6.646 1.00 0.00 N ATOM 134 CA GLU C 17 0.618 8.408 -5.708 1.00 0.00 C ATOM 135 C GLU C 17 1.955 8.617 -4.993 1.00 0.00 C ATOM 136 O GLU C 17 2.046 8.516 -3.785 1.00 0.00 O ATOM 137 CB GLU C 17 -0.471 8.117 -4.674 1.00 0.00 C ATOM 138 CG GLU C 17 -0.253 6.722 -4.082 1.00 0.00 C ATOM 139 CD GLU C 17 -0.270 6.807 -2.555 1.00 0.00 C ATOM 140 OE1 GLU C 17 -1.141 7.480 -2.028 1.00 0.00 O ATOM 141 OE2 GLU C 17 0.588 6.198 -1.938 1.00 0.00 O ATOM 0 H GLU C 17 0.787 6.341 -6.203 1.00 0.00 H new ATOM 0 HA GLU C 17 0.357 9.307 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -0.447 8.867 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.455 8.176 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.032 6.043 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU C 17 0.699 6.315 -4.424 1.00 0.00 H new ATOM 148 N SER C 18 2.994 8.906 -5.728 1.00 0.00 N ATOM 149 CA SER C 18 4.322 9.121 -5.089 1.00 0.00 C ATOM 150 C SER C 18 4.153 9.989 -3.840 1.00 0.00 C ATOM 151 O SER C 18 3.148 10.647 -3.662 1.00 0.00 O ATOM 152 CB SER C 18 5.256 9.824 -6.077 1.00 0.00 C ATOM 153 OG SER C 18 6.595 9.722 -5.618 1.00 0.00 O ATOM 0 H SER C 18 2.980 9.002 -6.743 1.00 0.00 H new ATOM 0 HA SER C 18 4.749 8.159 -4.807 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.164 9.373 -7.065 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.974 10.872 -6.178 1.00 0.00 H new ATOM 0 HG SER C 18 6.855 8.778 -5.576 1.00 0.00 H new ATOM 159 N ARG C 19 5.127 9.993 -2.972 1.00 0.00 N ATOM 160 CA ARG C 19 5.021 10.818 -1.737 1.00 0.00 C ATOM 161 C ARG C 19 6.223 11.762 -1.653 1.00 0.00 C ATOM 162 O ARG C 19 6.758 12.010 -0.590 1.00 0.00 O ATOM 163 CB ARG C 19 5.004 9.902 -0.510 1.00 0.00 C ATOM 164 CG ARG C 19 3.559 9.535 -0.168 1.00 0.00 C ATOM 165 CD ARG C 19 3.233 8.157 -0.746 1.00 0.00 C ATOM 166 NE ARG C 19 3.895 7.105 0.077 1.00 0.00 N ATOM 167 CZ ARG C 19 3.476 6.860 1.290 1.00 0.00 C ATOM 168 NH1 ARG C 19 2.478 7.539 1.789 1.00 0.00 N ATOM 169 NH2 ARG C 19 4.057 5.937 2.005 1.00 0.00 N ATOM 0 H ARG C 19 5.992 9.460 -3.065 1.00 0.00 H new ATOM 0 HA ARG C 19 4.101 11.401 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG C 19 5.582 9.000 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG C 19 5.474 10.402 0.337 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.420 9.530 0.913 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.877 10.282 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.154 8.001 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.574 8.094 -1.779 1.00 0.00 H new ATOM 0 HE ARG C 19 4.677 6.575 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG C 19 2.024 8.262 1.231 1.00 0.00 H new ATOM 0 HH12 ARG C 19 2.153 7.346 2.736 1.00 0.00 H new ATOM 0 HH21 ARG C 19 4.838 5.407 1.617 1.00 0.00 H new ATOM 0 HH22 ARG C 19 3.731 5.745 2.952 1.00 0.00 H new ATOM 183 N THR C 20 6.650 12.289 -2.767 1.00 0.00 N ATOM 184 CA THR C 20 7.816 13.217 -2.754 1.00 0.00 C ATOM 185 C THR C 20 7.649 14.263 -3.858 1.00 0.00 C ATOM 186 O THR C 20 6.808 14.134 -4.725 1.00 0.00 O ATOM 187 CB THR C 20 9.102 12.423 -2.994 1.00 0.00 C ATOM 188 OG1 THR C 20 8.879 11.056 -2.675 1.00 0.00 O ATOM 189 CG2 THR C 20 10.220 12.981 -2.111 1.00 0.00 C ATOM 0 H THR C 20 6.242 12.117 -3.686 1.00 0.00 H new ATOM 0 HA THR C 20 7.872 13.716 -1.787 1.00 0.00 H new ATOM 0 HB THR C 20 9.393 12.508 -4.041 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.666 10.694 -2.216 1.00 0.00 H new ATOM 0 HG21 THR C 20 11.136 12.415 -2.282 1.00 0.00 H new ATOM 0 HG22 THR C 20 10.390 14.029 -2.358 1.00 0.00 H new ATOM 0 HG23 THR C 20 9.932 12.897 -1.063 1.00 0.00 H new ATOM 197 N GLU C 21 8.443 15.298 -3.833 1.00 0.00 N ATOM 198 CA GLU C 21 8.328 16.350 -4.881 1.00 0.00 C ATOM 199 C GLU C 21 9.240 16.000 -6.059 1.00 0.00 C ATOM 200 O GLU C 21 9.514 16.822 -6.911 1.00 0.00 O ATOM 201 CB GLU C 21 8.746 17.699 -4.295 1.00 0.00 C ATOM 202 CG GLU C 21 7.544 18.646 -4.288 1.00 0.00 C ATOM 203 CD GLU C 21 7.950 19.989 -4.899 1.00 0.00 C ATOM 204 OE1 GLU C 21 8.377 19.993 -6.041 1.00 0.00 O ATOM 205 OE2 GLU C 21 7.825 20.991 -4.213 1.00 0.00 O ATOM 0 H GLU C 21 9.166 15.460 -3.132 1.00 0.00 H new ATOM 0 HA GLU C 21 7.296 16.408 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU C 21 9.124 17.566 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.557 18.128 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU C 21 6.721 18.210 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU C 21 7.188 18.791 -3.268 1.00 0.00 H new ATOM 212 N THR C 22 9.713 14.785 -6.113 1.00 0.00 N ATOM 213 CA THR C 22 10.607 14.383 -7.235 1.00 0.00 C ATOM 214 C THR C 22 9.810 13.564 -8.253 1.00 0.00 C ATOM 215 O THR C 22 9.591 13.987 -9.371 1.00 0.00 O ATOM 216 CB THR C 22 11.760 13.538 -6.691 1.00 0.00 C ATOM 217 OG1 THR C 22 11.929 13.807 -5.306 1.00 0.00 O ATOM 218 CG2 THR C 22 13.048 13.882 -7.440 1.00 0.00 C ATOM 0 H THR C 22 9.519 14.054 -5.429 1.00 0.00 H new ATOM 0 HA THR C 22 11.007 15.274 -7.718 1.00 0.00 H new ATOM 0 HB THR C 22 11.533 12.481 -6.832 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.666 13.265 -4.955 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.868 13.278 -7.050 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.918 13.675 -8.502 1.00 0.00 H new ATOM 0 HG23 THR C 22 13.278 14.939 -7.302 1.00 0.00 H new ATOM 226 N ASP C 23 9.374 12.392 -7.875 1.00 0.00 N ATOM 227 CA ASP C 23 8.593 11.546 -8.821 1.00 0.00 C ATOM 228 C ASP C 23 7.185 12.128 -8.973 1.00 0.00 C ATOM 229 O ASP C 23 6.578 12.568 -8.017 1.00 0.00 O ATOM 230 CB ASP C 23 8.494 10.118 -8.276 1.00 0.00 C ATOM 231 CG ASP C 23 9.745 9.788 -7.457 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.764 10.417 -7.686 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.661 8.909 -6.615 1.00 0.00 O ATOM 0 H ASP C 23 9.525 11.985 -6.952 1.00 0.00 H new ATOM 0 HA ASP C 23 9.093 11.529 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.604 10.017 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP C 23 8.390 9.411 -9.099 1.00 0.00 H new ATOM 238 N LEU C 24 6.662 12.132 -10.168 1.00 0.00 N ATOM 239 CA LEU C 24 5.295 12.686 -10.378 1.00 0.00 C ATOM 240 C LEU C 24 4.260 11.574 -10.209 1.00 0.00 C ATOM 241 O LEU C 24 4.466 10.452 -10.626 1.00 0.00 O ATOM 242 CB LEU C 24 5.185 13.262 -11.791 1.00 0.00 C ATOM 243 CG LEU C 24 6.442 14.070 -12.115 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.576 14.212 -13.630 1.00 0.00 C ATOM 245 CD2 LEU C 24 6.335 15.458 -11.480 1.00 0.00 C ATOM 0 H LEU C 24 7.121 11.776 -11.007 1.00 0.00 H new ATOM 0 HA LEU C 24 5.112 13.473 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.062 12.456 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.302 13.897 -11.868 1.00 0.00 H new ATOM 0 HG LEU C 24 7.318 13.557 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU C 24 7.472 14.788 -13.864 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.652 13.223 -14.083 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.700 14.726 -14.026 1.00 0.00 H new ATOM 0 HD21 LEU C 24 7.231 16.034 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU C 24 5.460 15.973 -11.877 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.237 15.357 -10.399 1.00 0.00 H new ATOM 257 N SER C 25 3.148 11.877 -9.600 1.00 0.00 N ATOM 258 CA SER C 25 2.099 10.840 -9.403 1.00 0.00 C ATOM 259 C SER C 25 1.139 10.876 -10.592 1.00 0.00 C ATOM 260 O SER C 25 0.773 11.931 -11.073 1.00 0.00 O ATOM 261 CB SER C 25 1.331 11.133 -8.113 1.00 0.00 C ATOM 262 OG SER C 25 1.856 12.304 -7.506 1.00 0.00 O ATOM 0 H SER C 25 2.920 12.800 -9.230 1.00 0.00 H new ATOM 0 HA SER C 25 2.559 9.854 -9.331 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.271 11.267 -8.330 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.412 10.288 -7.429 1.00 0.00 H new ATOM 0 HG SER C 25 1.363 12.493 -6.680 1.00 0.00 H new ATOM 268 N PHE C 26 0.723 9.738 -11.077 1.00 0.00 N ATOM 269 CA PHE C 26 -0.213 9.729 -12.237 1.00 0.00 C ATOM 270 C PHE C 26 -1.437 8.874 -11.911 1.00 0.00 C ATOM 271 O PHE C 26 -1.578 8.357 -10.821 1.00 0.00 O ATOM 272 CB PHE C 26 0.493 9.164 -13.472 1.00 0.00 C ATOM 273 CG PHE C 26 1.109 7.802 -13.145 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.368 6.645 -13.300 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.419 7.708 -12.711 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.928 5.413 -13.026 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.979 6.475 -12.437 1.00 0.00 C ATOM 278 CZ PHE C 26 2.233 5.329 -12.595 1.00 0.00 C ATOM 0 H PHE C 26 0.989 8.819 -10.723 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.532 10.751 -12.442 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.217 9.064 -14.293 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.269 9.853 -13.804 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.656 6.705 -13.638 1.00 0.00 H new ATOM 0 HD2 PHE C 26 3.008 8.604 -12.585 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.342 4.514 -13.150 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.003 6.410 -12.099 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.671 4.365 -12.381 1.00 0.00 H new ATOM 288 N LYS C 27 -2.325 8.723 -12.856 1.00 0.00 N ATOM 289 CA LYS C 27 -3.545 7.903 -12.612 1.00 0.00 C ATOM 290 C LYS C 27 -3.697 6.869 -13.729 1.00 0.00 C ATOM 291 O LYS C 27 -2.816 6.689 -14.546 1.00 0.00 O ATOM 292 CB LYS C 27 -4.776 8.814 -12.591 1.00 0.00 C ATOM 293 CG LYS C 27 -4.482 10.053 -11.743 1.00 0.00 C ATOM 294 CD LYS C 27 -4.982 11.300 -12.474 1.00 0.00 C ATOM 295 CE LYS C 27 -6.057 11.988 -11.630 1.00 0.00 C ATOM 296 NZ LYS C 27 -7.403 11.673 -12.185 1.00 0.00 N ATOM 0 H LYS C 27 -2.258 9.133 -13.788 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.453 7.392 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -5.040 9.110 -13.606 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.632 8.276 -12.183 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.970 9.967 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -3.411 10.133 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -4.154 11.985 -12.656 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -5.389 11.026 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -5.991 11.653 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -5.897 13.066 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -8.133 12.141 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -7.463 12.014 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -7.554 10.644 -12.166 1.00 0.00 H new ATOM 310 N LYS C 28 -4.810 6.190 -13.770 1.00 0.00 N ATOM 311 CA LYS C 28 -5.020 5.168 -14.834 1.00 0.00 C ATOM 312 C LYS C 28 -5.534 5.849 -16.104 1.00 0.00 C ATOM 313 O LYS C 28 -6.257 6.825 -16.048 1.00 0.00 O ATOM 314 CB LYS C 28 -6.049 4.140 -14.356 1.00 0.00 C ATOM 315 CG LYS C 28 -6.485 3.268 -15.536 1.00 0.00 C ATOM 316 CD LYS C 28 -7.119 1.980 -15.010 1.00 0.00 C ATOM 317 CE LYS C 28 -8.628 2.179 -14.860 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.124 1.368 -13.712 1.00 0.00 N ATOM 0 H LYS C 28 -5.583 6.298 -13.113 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.076 4.668 -15.048 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.620 3.519 -13.570 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -6.913 4.647 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.198 3.809 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.627 3.033 -16.165 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -6.916 1.156 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -6.679 1.712 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.852 3.233 -14.698 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -9.138 1.882 -15.776 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.150 1.503 -13.609 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.922 0.362 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -8.646 1.672 -12.840 1.00 0.00 H new ATOM 332 N GLY C 29 -5.168 5.344 -17.250 1.00 0.00 N ATOM 333 CA GLY C 29 -5.637 5.963 -18.521 1.00 0.00 C ATOM 334 C GLY C 29 -4.590 6.961 -19.023 1.00 0.00 C ATOM 335 O GLY C 29 -4.655 7.432 -20.140 1.00 0.00 O ATOM 0 H GLY C 29 -4.564 4.529 -17.361 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.808 5.191 -19.272 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.589 6.469 -18.361 1.00 0.00 H new ATOM 339 N GLU C 30 -3.628 7.288 -18.205 1.00 0.00 N ATOM 340 CA GLU C 30 -2.580 8.255 -18.638 1.00 0.00 C ATOM 341 C GLU C 30 -1.428 7.496 -19.297 1.00 0.00 C ATOM 342 O GLU C 30 -0.909 6.541 -18.755 1.00 0.00 O ATOM 343 CB GLU C 30 -2.057 9.021 -17.421 1.00 0.00 C ATOM 344 CG GLU C 30 -1.310 10.272 -17.890 1.00 0.00 C ATOM 345 CD GLU C 30 0.163 10.166 -17.494 1.00 0.00 C ATOM 346 OE1 GLU C 30 0.446 10.240 -16.309 1.00 0.00 O ATOM 347 OE2 GLU C 30 0.985 10.015 -18.383 1.00 0.00 O ATOM 0 H GLU C 30 -3.522 6.928 -17.257 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.008 8.958 -19.352 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.885 9.301 -16.770 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.393 8.385 -16.835 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -1.400 10.378 -18.971 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.754 11.162 -17.444 1.00 0.00 H new ATOM 354 N ARG C 31 -1.023 7.913 -20.467 1.00 0.00 N ATOM 355 CA ARG C 31 0.095 7.216 -21.160 1.00 0.00 C ATOM 356 C ARG C 31 1.428 7.815 -20.706 1.00 0.00 C ATOM 357 O ARG C 31 1.525 8.991 -20.419 1.00 0.00 O ATOM 358 CB ARG C 31 -0.056 7.390 -22.672 1.00 0.00 C ATOM 359 CG ARG C 31 -0.502 6.065 -23.294 1.00 0.00 C ATOM 360 CD ARG C 31 -2.029 6.021 -23.359 1.00 0.00 C ATOM 361 NE ARG C 31 -2.463 4.709 -23.914 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.705 4.322 -23.787 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.572 5.086 -23.177 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.080 3.170 -24.272 1.00 0.00 N ATOM 0 H ARG C 31 -1.419 8.706 -20.971 1.00 0.00 H new ATOM 0 HA ARG C 31 0.072 6.155 -20.913 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.786 8.170 -22.888 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.890 7.709 -23.109 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.082 5.961 -24.294 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -0.128 5.229 -22.702 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -2.451 6.165 -22.364 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.401 6.833 -23.983 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.790 4.111 -24.394 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.280 5.987 -22.798 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.541 4.781 -23.079 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.404 2.573 -24.749 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.049 2.866 -24.174 1.00 0.00 H new ATOM 378 N LEU C 32 2.458 7.014 -20.638 1.00 0.00 N ATOM 379 CA LEU C 32 3.782 7.541 -20.201 1.00 0.00 C ATOM 380 C LEU C 32 4.882 6.974 -21.101 1.00 0.00 C ATOM 381 O LEU C 32 4.906 5.797 -21.404 1.00 0.00 O ATOM 382 CB LEU C 32 4.045 7.123 -18.753 1.00 0.00 C ATOM 383 CG LEU C 32 2.946 7.688 -17.851 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.004 6.559 -17.424 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.579 8.322 -16.612 1.00 0.00 C ATOM 0 H LEU C 32 2.439 6.020 -20.866 1.00 0.00 H new ATOM 0 HA LEU C 32 3.779 8.629 -20.272 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.070 6.036 -18.676 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.020 7.488 -18.429 1.00 0.00 H new ATOM 0 HG LEU C 32 2.381 8.444 -18.397 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.221 6.962 -16.781 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.552 6.108 -18.308 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.567 5.802 -16.879 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.796 8.725 -15.969 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.145 7.567 -16.066 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.248 9.127 -16.917 1.00 0.00 H new ATOM 397 N GLN C 33 5.795 7.801 -21.533 1.00 0.00 N ATOM 398 CA GLN C 33 6.892 7.308 -22.413 1.00 0.00 C ATOM 399 C GLN C 33 8.070 6.852 -21.547 1.00 0.00 C ATOM 400 O GLN C 33 8.779 7.655 -20.975 1.00 0.00 O ATOM 401 CB GLN C 33 7.348 8.435 -23.342 1.00 0.00 C ATOM 402 CG GLN C 33 7.606 7.870 -24.741 1.00 0.00 C ATOM 403 CD GLN C 33 9.027 8.228 -25.181 1.00 0.00 C ATOM 404 OE1 GLN C 33 9.786 7.369 -25.584 1.00 0.00 O ATOM 405 NE2 GLN C 33 9.422 9.471 -25.118 1.00 0.00 N ATOM 0 H GLN C 33 5.828 8.797 -21.314 1.00 0.00 H new ATOM 0 HA GLN C 33 6.532 6.470 -23.010 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.587 9.214 -23.387 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.255 8.898 -22.952 1.00 0.00 H new ATOM 0 HG2 GLN C 33 7.477 6.788 -24.737 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.882 8.275 -25.448 1.00 0.00 H new ATOM 0 HE21 GLN C 33 8.785 10.192 -24.780 1.00 0.00 H new ATOM 0 HE22 GLN C 33 10.368 9.721 -25.407 1.00 0.00 H new ATOM 414 N ILE C 34 8.282 5.569 -21.445 1.00 0.00 N ATOM 415 CA ILE C 34 9.413 5.064 -20.616 1.00 0.00 C ATOM 416 C ILE C 34 10.733 5.605 -21.168 1.00 0.00 C ATOM 417 O ILE C 34 10.924 5.706 -22.363 1.00 0.00 O ATOM 418 CB ILE C 34 9.433 3.535 -20.657 1.00 0.00 C ATOM 419 CG1 ILE C 34 8.182 2.989 -19.965 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.678 3.022 -19.931 1.00 0.00 C ATOM 421 CD1 ILE C 34 8.001 3.686 -18.615 1.00 0.00 C ATOM 0 H ILE C 34 7.721 4.848 -21.900 1.00 0.00 H new ATOM 0 HA ILE C 34 9.285 5.399 -19.587 1.00 0.00 H new ATOM 0 HB ILE C 34 9.451 3.201 -21.694 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.306 3.154 -20.592 1.00 0.00 H new ATOM 0 HG13 ILE C 34 8.273 1.912 -19.821 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.693 1.932 -19.960 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.571 3.410 -20.421 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.659 3.357 -18.894 1.00 0.00 H new ATOM 0 HD11 ILE C 34 7.110 3.298 -18.122 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.873 3.499 -17.989 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.890 4.759 -18.771 1.00 0.00 H new ATOM 433 N VAL C 35 11.646 5.955 -20.303 1.00 0.00 N ATOM 434 CA VAL C 35 12.954 6.489 -20.775 1.00 0.00 C ATOM 435 C VAL C 35 13.981 5.359 -20.804 1.00 0.00 C ATOM 436 O VAL C 35 14.534 5.032 -21.835 1.00 0.00 O ATOM 437 CB VAL C 35 13.431 7.587 -19.821 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.858 7.996 -20.189 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.505 8.800 -19.938 1.00 0.00 C ATOM 0 H VAL C 35 11.542 5.894 -19.290 1.00 0.00 H new ATOM 0 HA VAL C 35 12.839 6.903 -21.777 1.00 0.00 H new ATOM 0 HB VAL C 35 13.413 7.214 -18.797 1.00 0.00 H new ATOM 0 HG11 VAL C 35 15.199 8.778 -19.510 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.517 7.132 -20.107 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.877 8.370 -21.213 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.843 9.583 -19.259 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.523 9.174 -20.962 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.488 8.508 -19.677 1.00 0.00 H new ATOM 449 N ASN C 36 14.237 4.761 -19.677 1.00 0.00 N ATOM 450 CA ASN C 36 15.228 3.649 -19.629 1.00 0.00 C ATOM 451 C ASN C 36 15.115 2.928 -18.285 1.00 0.00 C ATOM 452 O ASN C 36 14.050 2.835 -17.707 1.00 0.00 O ATOM 453 CB ASN C 36 16.639 4.218 -19.791 1.00 0.00 C ATOM 454 CG ASN C 36 17.460 3.296 -20.693 1.00 0.00 C ATOM 455 OD1 ASN C 36 16.917 2.597 -21.525 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.759 3.266 -20.565 1.00 0.00 N ATOM 0 H ASN C 36 13.803 4.993 -18.784 1.00 0.00 H new ATOM 0 HA ASN C 36 15.028 2.944 -20.436 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.592 5.218 -20.222 1.00 0.00 H new ATOM 0 HB3 ASN C 36 17.119 4.313 -18.817 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.316 2.656 -21.163 1.00 0.00 H new ATOM 0 HD22 ASN C 36 19.216 3.852 -19.867 1.00 0.00 H new ATOM 463 N ASN C 37 16.205 2.414 -17.781 1.00 0.00 N ATOM 464 CA ASN C 37 16.158 1.700 -16.474 1.00 0.00 C ATOM 465 C ASN C 37 15.493 0.334 -16.663 1.00 0.00 C ATOM 466 O ASN C 37 14.316 0.241 -16.954 1.00 0.00 O ATOM 467 CB ASN C 37 15.354 2.526 -15.469 1.00 0.00 C ATOM 468 CG ASN C 37 15.744 4.000 -15.593 1.00 0.00 C ATOM 469 OD1 ASN C 37 15.036 4.779 -16.200 1.00 0.00 O ATOM 470 ND2 ASN C 37 16.849 4.419 -15.038 1.00 0.00 N ATOM 0 H ASN C 37 17.125 2.458 -18.218 1.00 0.00 H new ATOM 0 HA ASN C 37 17.172 1.561 -16.099 1.00 0.00 H new ATOM 0 HB2 ASN C 37 14.287 2.404 -15.653 1.00 0.00 H new ATOM 0 HB3 ASN C 37 15.545 2.172 -14.456 1.00 0.00 H new ATOM 0 HD21 ASN C 37 17.118 5.400 -15.114 1.00 0.00 H new ATOM 0 HD22 ASN C 37 17.443 3.765 -14.528 1.00 0.00 H new ATOM 477 N THR C 38 16.236 -0.726 -16.499 1.00 0.00 N ATOM 478 CA THR C 38 15.646 -2.083 -16.669 1.00 0.00 C ATOM 479 C THR C 38 15.906 -2.920 -15.413 1.00 0.00 C ATOM 480 O THR C 38 15.141 -3.802 -15.075 1.00 0.00 O ATOM 481 CB THR C 38 16.286 -2.769 -17.879 1.00 0.00 C ATOM 482 OG1 THR C 38 16.053 -4.169 -17.807 1.00 0.00 O ATOM 483 CG2 THR C 38 17.792 -2.500 -17.883 1.00 0.00 C ATOM 0 H THR C 38 17.226 -0.711 -16.255 1.00 0.00 H new ATOM 0 HA THR C 38 14.571 -1.992 -16.826 1.00 0.00 H new ATOM 0 HB THR C 38 15.846 -2.374 -18.795 1.00 0.00 H new ATOM 0 HG1 THR C 38 16.461 -4.609 -18.582 1.00 0.00 H new ATOM 0 HG21 THR C 38 18.247 -2.989 -18.745 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.970 -1.426 -17.939 1.00 0.00 H new ATOM 0 HG23 THR C 38 18.234 -2.893 -16.968 1.00 0.00 H new ATOM 491 N GLU C 39 16.979 -2.652 -14.720 1.00 0.00 N ATOM 492 CA GLU C 39 17.284 -3.434 -13.488 1.00 0.00 C ATOM 493 C GLU C 39 16.549 -2.819 -12.296 1.00 0.00 C ATOM 494 O GLU C 39 15.905 -3.505 -11.529 1.00 0.00 O ATOM 495 CB GLU C 39 18.791 -3.406 -13.225 1.00 0.00 C ATOM 496 CG GLU C 39 19.438 -4.656 -13.826 1.00 0.00 C ATOM 497 CD GLU C 39 20.928 -4.398 -14.056 1.00 0.00 C ATOM 498 OE1 GLU C 39 21.287 -3.247 -14.248 1.00 0.00 O ATOM 499 OE2 GLU C 39 21.686 -5.354 -14.036 1.00 0.00 O ATOM 0 H GLU C 39 17.657 -1.926 -14.953 1.00 0.00 H new ATOM 0 HA GLU C 39 16.957 -4.465 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU C 39 19.231 -2.510 -13.663 1.00 0.00 H new ATOM 0 HB3 GLU C 39 18.983 -3.364 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU C 39 19.304 -5.506 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU C 39 18.953 -4.913 -14.768 1.00 0.00 H new ATOM 506 N GLY C 40 16.642 -1.530 -12.139 1.00 0.00 N ATOM 507 CA GLY C 40 15.952 -0.865 -10.999 1.00 0.00 C ATOM 508 C GLY C 40 14.437 -1.001 -11.168 1.00 0.00 C ATOM 509 O GLY C 40 13.919 -0.957 -12.267 1.00 0.00 O ATOM 0 H GLY C 40 17.167 -0.906 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY C 40 16.265 -1.316 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY C 40 16.231 0.188 -10.956 1.00 0.00 H new ATOM 513 N ASP C 41 13.723 -1.164 -10.088 1.00 0.00 N ATOM 514 CA ASP C 41 12.242 -1.302 -10.188 1.00 0.00 C ATOM 515 C ASP C 41 11.622 0.065 -10.477 1.00 0.00 C ATOM 516 O ASP C 41 10.475 0.169 -10.866 1.00 0.00 O ATOM 517 CB ASP C 41 11.689 -1.843 -8.867 1.00 0.00 C ATOM 518 CG ASP C 41 12.383 -3.162 -8.526 1.00 0.00 C ATOM 519 OD1 ASP C 41 13.589 -3.236 -8.698 1.00 0.00 O ATOM 520 OD2 ASP C 41 11.699 -4.077 -8.098 1.00 0.00 O ATOM 0 H ASP C 41 14.100 -1.208 -9.141 1.00 0.00 H new ATOM 0 HA ASP C 41 11.995 -1.992 -10.995 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.850 -1.118 -8.069 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.613 -1.996 -8.946 1.00 0.00 H new ATOM 525 N TRP C 42 12.371 1.118 -10.289 1.00 0.00 N ATOM 526 CA TRP C 42 11.824 2.476 -10.553 1.00 0.00 C ATOM 527 C TRP C 42 12.399 3.016 -11.863 1.00 0.00 C ATOM 528 O TRP C 42 13.595 3.176 -12.008 1.00 0.00 O ATOM 529 CB TRP C 42 12.212 3.413 -9.408 1.00 0.00 C ATOM 530 CG TRP C 42 11.358 3.096 -8.179 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.689 2.220 -7.214 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.180 3.648 -7.905 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.661 2.283 -6.368 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.676 3.148 -6.720 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.465 4.591 -8.616 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.457 3.591 -6.250 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.246 5.033 -8.142 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.743 4.532 -6.960 1.00 0.00 C ATOM 0 H TRP C 42 13.338 1.095 -9.964 1.00 0.00 H new ATOM 0 HA TRP C 42 10.738 2.418 -10.629 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.269 3.295 -9.170 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.066 4.451 -9.708 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.577 1.610 -7.142 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.618 1.722 -5.517 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.859 4.983 -9.542 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.062 3.200 -5.324 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.686 5.771 -8.697 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.789 4.877 -6.590 1.00 0.00 H new ATOM 549 N TRP C 43 11.558 3.295 -12.820 1.00 0.00 N ATOM 550 CA TRP C 43 12.059 3.824 -14.117 1.00 0.00 C ATOM 551 C TRP C 43 11.657 5.292 -14.255 1.00 0.00 C ATOM 552 O TRP C 43 10.796 5.780 -13.548 1.00 0.00 O ATOM 553 CB TRP C 43 11.450 3.027 -15.272 1.00 0.00 C ATOM 554 CG TRP C 43 11.699 1.532 -15.059 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.819 1.000 -14.542 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.844 0.567 -15.380 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.587 -0.314 -14.577 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.378 -0.672 -15.084 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.582 0.662 -15.929 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.649 -1.815 -15.339 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.852 -0.481 -16.183 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.386 -1.720 -15.888 1.00 0.00 C ATOM 0 H TRP C 43 10.546 3.179 -12.759 1.00 0.00 H new ATOM 0 HA TRP C 43 13.145 3.733 -14.146 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.379 3.221 -15.335 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.888 3.347 -16.217 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.699 1.514 -14.183 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.267 -0.999 -14.247 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.165 1.631 -16.160 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.066 -2.784 -15.109 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.864 -0.407 -16.612 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.815 -2.615 -16.087 1.00 0.00 H new ATOM 573 N LEU C 44 12.269 5.998 -15.163 1.00 0.00 N ATOM 574 CA LEU C 44 11.925 7.434 -15.350 1.00 0.00 C ATOM 575 C LEU C 44 11.159 7.596 -16.662 1.00 0.00 C ATOM 576 O LEU C 44 11.610 7.174 -17.708 1.00 0.00 O ATOM 577 CB LEU C 44 13.211 8.261 -15.401 1.00 0.00 C ATOM 578 CG LEU C 44 12.864 9.748 -15.343 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.104 10.544 -14.938 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.384 10.215 -16.720 1.00 0.00 C ATOM 0 H LEU C 44 12.994 5.642 -15.785 1.00 0.00 H new ATOM 0 HA LEU C 44 11.308 7.778 -14.520 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.860 7.995 -14.566 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.762 8.041 -16.316 1.00 0.00 H new ATOM 0 HG LEU C 44 12.073 9.909 -14.610 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.858 11.605 -14.896 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.445 10.212 -13.958 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.895 10.384 -15.671 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.136 11.276 -16.679 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.174 10.055 -17.454 1.00 0.00 H new ATOM 0 HD23 LEU C 44 11.500 9.647 -17.009 1.00 0.00 H new ATOM 592 N ALA C 45 10.004 8.203 -16.621 1.00 0.00 N ATOM 593 CA ALA C 45 9.222 8.382 -17.877 1.00 0.00 C ATOM 594 C ALA C 45 8.729 9.826 -17.983 1.00 0.00 C ATOM 595 O ALA C 45 8.796 10.590 -17.041 1.00 0.00 O ATOM 596 CB ALA C 45 8.021 7.435 -17.867 1.00 0.00 C ATOM 0 H ALA C 45 9.571 8.580 -15.778 1.00 0.00 H new ATOM 0 HA ALA C 45 9.860 8.158 -18.731 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.448 7.565 -18.785 1.00 0.00 H new ATOM 0 HB2 ALA C 45 8.371 6.405 -17.800 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.388 7.660 -17.009 1.00 0.00 H new ATOM 602 N HIS C 46 8.232 10.200 -19.130 1.00 0.00 N ATOM 603 CA HIS C 46 7.730 11.590 -19.315 1.00 0.00 C ATOM 604 C HIS C 46 6.250 11.533 -19.712 1.00 0.00 C ATOM 605 O HIS C 46 5.891 10.978 -20.732 1.00 0.00 O ATOM 606 CB HIS C 46 8.557 12.278 -20.415 1.00 0.00 C ATOM 607 CG HIS C 46 7.722 13.350 -21.127 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.858 14.602 -20.978 1.00 0.00 N ATOM 609 CD2 HIS C 46 6.691 13.209 -22.038 1.00 0.00 C ATOM 610 CE1 HIS C 46 7.016 15.237 -21.706 1.00 0.00 C ATOM 611 NE2 HIS C 46 6.244 14.421 -22.406 1.00 0.00 N ATOM 0 H HIS C 46 8.152 9.599 -19.950 1.00 0.00 H new ATOM 0 HA HIS C 46 7.829 12.159 -18.391 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.446 12.733 -19.978 1.00 0.00 H new ATOM 0 HB3 HIS C 46 8.900 11.537 -21.137 1.00 0.00 H new ATOM 0 HD2 HIS C 46 6.304 12.267 -22.399 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.945 16.314 -21.744 1.00 0.00 H new ATOM 0 HE2 HIS C 46 5.497 14.654 -23.061 1.00 0.00 H new ATOM 619 N SER C 47 5.388 12.106 -18.916 1.00 0.00 N ATOM 620 CA SER C 47 3.937 12.084 -19.252 1.00 0.00 C ATOM 621 C SER C 47 3.725 12.723 -20.625 1.00 0.00 C ATOM 622 O SER C 47 4.288 13.754 -20.934 1.00 0.00 O ATOM 623 CB SER C 47 3.157 12.870 -18.195 1.00 0.00 C ATOM 624 OG SER C 47 3.536 12.425 -16.901 1.00 0.00 O ATOM 0 H SER C 47 5.626 12.588 -18.049 1.00 0.00 H new ATOM 0 HA SER C 47 3.582 11.054 -19.272 1.00 0.00 H new ATOM 0 HB2 SER C 47 3.357 13.937 -18.298 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.086 12.731 -18.340 1.00 0.00 H new ATOM 0 HG SER C 47 3.039 12.929 -16.223 1.00 0.00 H new ATOM 630 N LEU C 48 2.916 12.121 -21.454 1.00 0.00 N ATOM 631 CA LEU C 48 2.670 12.698 -22.806 1.00 0.00 C ATOM 632 C LEU C 48 1.464 13.639 -22.755 1.00 0.00 C ATOM 633 O LEU C 48 1.070 14.211 -23.752 1.00 0.00 O ATOM 634 CB LEU C 48 2.394 11.568 -23.799 1.00 0.00 C ATOM 635 CG LEU C 48 3.659 10.727 -23.976 1.00 0.00 C ATOM 636 CD1 LEU C 48 3.355 9.532 -24.882 1.00 0.00 C ATOM 637 CD2 LEU C 48 4.757 11.585 -24.610 1.00 0.00 C ATOM 0 H LEU C 48 2.415 11.255 -21.254 1.00 0.00 H new ATOM 0 HA LEU C 48 3.549 13.258 -23.125 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.577 10.944 -23.438 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.081 11.980 -24.758 1.00 0.00 H new ATOM 0 HG LEU C 48 3.996 10.367 -23.004 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.257 8.933 -25.008 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.574 8.922 -24.429 1.00 0.00 H new ATOM 0 HD13 LEU C 48 3.018 9.890 -25.855 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.659 10.986 -24.737 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.421 11.945 -25.582 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.974 12.435 -23.963 1.00 0.00 H new ATOM 649 N THR C 49 0.874 13.805 -21.603 1.00 0.00 N ATOM 650 CA THR C 49 -0.305 14.710 -21.495 1.00 0.00 C ATOM 651 C THR C 49 0.135 16.050 -20.903 1.00 0.00 C ATOM 652 O THR C 49 -0.096 17.098 -21.472 1.00 0.00 O ATOM 653 CB THR C 49 -1.358 14.072 -20.586 1.00 0.00 C ATOM 654 OG1 THR C 49 -1.958 12.974 -21.259 1.00 0.00 O ATOM 655 CG2 THR C 49 -2.430 15.107 -20.239 1.00 0.00 C ATOM 0 H THR C 49 1.157 13.354 -20.733 1.00 0.00 H new ATOM 0 HA THR C 49 -0.731 14.871 -22.485 1.00 0.00 H new ATOM 0 HB THR C 49 -0.884 13.722 -19.669 1.00 0.00 H new ATOM 0 HG1 THR C 49 -2.632 12.563 -20.678 1.00 0.00 H new ATOM 0 HG21 THR C 49 -3.179 14.652 -19.592 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.969 15.950 -19.724 1.00 0.00 H new ATOM 0 HG23 THR C 49 -2.906 15.458 -21.154 1.00 0.00 H new ATOM 663 N THR C 50 0.770 16.025 -19.763 1.00 0.00 N ATOM 664 CA THR C 50 1.223 17.296 -19.135 1.00 0.00 C ATOM 665 C THR C 50 2.594 17.680 -19.696 1.00 0.00 C ATOM 666 O THR C 50 2.751 18.700 -20.335 1.00 0.00 O ATOM 667 CB THR C 50 1.328 17.107 -17.620 1.00 0.00 C ATOM 668 OG1 THR C 50 0.717 15.878 -17.255 1.00 0.00 O ATOM 669 CG2 THR C 50 0.621 18.261 -16.910 1.00 0.00 C ATOM 0 H THR C 50 0.994 15.178 -19.240 1.00 0.00 H new ATOM 0 HA THR C 50 0.505 18.086 -19.354 1.00 0.00 H new ATOM 0 HB THR C 50 2.378 17.093 -17.327 1.00 0.00 H new ATOM 0 HG1 THR C 50 0.785 15.754 -16.285 1.00 0.00 H new ATOM 0 HG21 THR C 50 0.696 18.125 -15.831 1.00 0.00 H new ATOM 0 HG22 THR C 50 1.091 19.204 -17.191 1.00 0.00 H new ATOM 0 HG23 THR C 50 -0.429 18.278 -17.201 1.00 0.00 H new ATOM 677 N GLY C 51 3.587 16.868 -19.462 1.00 0.00 N ATOM 678 CA GLY C 51 4.947 17.184 -19.981 1.00 0.00 C ATOM 679 C GLY C 51 5.905 17.387 -18.806 1.00 0.00 C ATOM 680 O GLY C 51 6.353 18.483 -18.539 1.00 0.00 O ATOM 0 H GLY C 51 3.515 15.999 -18.933 1.00 0.00 H new ATOM 0 HA2 GLY C 51 5.302 16.374 -20.618 1.00 0.00 H new ATOM 0 HA3 GLY C 51 4.914 18.083 -20.597 1.00 0.00 H new ATOM 684 N GLN C 52 6.222 16.335 -18.102 1.00 0.00 N ATOM 685 CA GLN C 52 7.151 16.466 -16.944 1.00 0.00 C ATOM 686 C GLN C 52 7.879 15.138 -16.722 1.00 0.00 C ATOM 687 O GLN C 52 7.516 14.120 -17.277 1.00 0.00 O ATOM 688 CB GLN C 52 6.354 16.831 -15.691 1.00 0.00 C ATOM 689 CG GLN C 52 6.294 18.352 -15.548 1.00 0.00 C ATOM 690 CD GLN C 52 7.104 18.780 -14.321 1.00 0.00 C ATOM 691 OE1 GLN C 52 6.548 19.045 -13.273 1.00 0.00 O ATOM 692 NE2 GLN C 52 8.403 18.856 -14.408 1.00 0.00 N ATOM 0 H GLN C 52 5.878 15.391 -18.278 1.00 0.00 H new ATOM 0 HA GLN C 52 7.881 17.249 -17.149 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.346 16.421 -15.757 1.00 0.00 H new ATOM 0 HB3 GLN C 52 6.820 16.391 -14.810 1.00 0.00 H new ATOM 0 HG2 GLN C 52 6.692 18.828 -16.444 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.259 18.678 -15.446 1.00 0.00 H new ATOM 0 HE21 GLN C 52 8.869 18.634 -15.288 1.00 0.00 H new ATOM 0 HE22 GLN C 52 8.953 19.138 -13.596 1.00 0.00 H new ATOM 701 N THR C 53 8.903 15.141 -15.914 1.00 0.00 N ATOM 702 CA THR C 53 9.654 13.879 -15.656 1.00 0.00 C ATOM 703 C THR C 53 9.269 13.326 -14.281 1.00 0.00 C ATOM 704 O THR C 53 9.180 14.050 -13.310 1.00 0.00 O ATOM 705 CB THR C 53 11.159 14.172 -15.692 1.00 0.00 C ATOM 706 OG1 THR C 53 11.581 14.285 -17.043 1.00 0.00 O ATOM 707 CG2 THR C 53 11.930 13.037 -15.011 1.00 0.00 C ATOM 0 H THR C 53 9.253 15.963 -15.421 1.00 0.00 H new ATOM 0 HA THR C 53 9.408 13.142 -16.420 1.00 0.00 H new ATOM 0 HB THR C 53 11.357 15.104 -15.163 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.542 14.474 -17.071 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.998 13.253 -15.041 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.607 12.949 -13.974 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.735 12.100 -15.533 1.00 0.00 H new ATOM 715 N GLY C 54 9.049 12.043 -14.190 1.00 0.00 N ATOM 716 CA GLY C 54 8.671 11.444 -12.881 1.00 0.00 C ATOM 717 C GLY C 54 9.032 9.958 -12.871 1.00 0.00 C ATOM 718 O GLY C 54 8.691 9.218 -13.775 1.00 0.00 O ATOM 0 H GLY C 54 9.115 11.384 -14.966 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.188 11.959 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.602 11.570 -12.708 1.00 0.00 H new ATOM 722 N TYR C 55 9.727 9.513 -11.858 1.00 0.00 N ATOM 723 CA TYR C 55 10.109 8.077 -11.789 1.00 0.00 C ATOM 724 C TYR C 55 8.863 7.242 -11.491 1.00 0.00 C ATOM 725 O TYR C 55 8.417 7.158 -10.364 1.00 0.00 O ATOM 726 CB TYR C 55 11.136 7.877 -10.673 1.00 0.00 C ATOM 727 CG TYR C 55 12.031 9.114 -10.568 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.374 9.831 -11.696 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.510 9.529 -9.342 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.182 10.946 -11.600 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.318 10.643 -9.245 1.00 0.00 C ATOM 732 CZ TYR C 55 13.661 11.360 -10.374 1.00 0.00 C ATOM 733 OH TYR C 55 14.468 12.475 -10.277 1.00 0.00 O ATOM 0 H TYR C 55 10.046 10.085 -11.076 1.00 0.00 H new ATOM 0 HA TYR C 55 10.542 7.765 -12.739 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.628 7.703 -9.725 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.742 6.994 -10.877 1.00 0.00 H new ATOM 0 HD1 TYR C 55 12.007 9.517 -12.662 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.250 8.977 -8.451 1.00 0.00 H new ATOM 0 HE1 TYR C 55 13.441 11.498 -12.491 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.685 10.957 -8.279 1.00 0.00 H new ATOM 0 HH TYR C 55 14.712 12.622 -9.339 1.00 0.00 H new ATOM 743 N ILE C 56 8.298 6.623 -12.490 1.00 0.00 N ATOM 744 CA ILE C 56 7.080 5.797 -12.258 1.00 0.00 C ATOM 745 C ILE C 56 7.493 4.395 -11.793 1.00 0.00 C ATOM 746 O ILE C 56 8.433 3.828 -12.313 1.00 0.00 O ATOM 747 CB ILE C 56 6.288 5.684 -13.563 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.200 5.148 -14.668 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.764 7.065 -13.962 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.761 3.734 -15.050 1.00 0.00 C ATOM 0 H ILE C 56 8.626 6.653 -13.455 1.00 0.00 H new ATOM 0 HA ILE C 56 6.462 6.267 -11.493 1.00 0.00 H new ATOM 0 HB ILE C 56 5.449 5.003 -13.421 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.156 5.802 -15.539 1.00 0.00 H new ATOM 0 HG13 ILE C 56 8.235 5.139 -14.327 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.200 6.986 -14.891 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.115 7.449 -13.175 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.603 7.746 -14.104 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.411 3.352 -15.837 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.827 3.084 -14.177 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.732 3.757 -15.408 1.00 0.00 H new ATOM 762 N PRO C 57 6.774 3.873 -10.827 1.00 0.00 N ATOM 763 CA PRO C 57 7.057 2.533 -10.281 1.00 0.00 C ATOM 764 C PRO C 57 6.843 1.477 -11.372 1.00 0.00 C ATOM 765 O PRO C 57 6.350 1.770 -12.442 1.00 0.00 O ATOM 766 CB PRO C 57 6.050 2.354 -9.137 1.00 0.00 C ATOM 767 CG PRO C 57 5.127 3.602 -9.124 1.00 0.00 C ATOM 768 CD PRO C 57 5.636 4.571 -10.203 1.00 0.00 C ATOM 0 HA PRO C 57 8.084 2.425 -9.931 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.464 1.446 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.568 2.251 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.094 3.316 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.142 4.079 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.859 4.793 -10.934 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.945 5.521 -9.768 1.00 0.00 H new ATOM 776 N SER C 58 7.210 0.251 -11.112 1.00 0.00 N ATOM 777 CA SER C 58 7.026 -0.815 -12.141 1.00 0.00 C ATOM 778 C SER C 58 5.657 -1.486 -11.976 1.00 0.00 C ATOM 779 O SER C 58 4.981 -1.778 -12.943 1.00 0.00 O ATOM 780 CB SER C 58 8.126 -1.866 -11.981 1.00 0.00 C ATOM 781 OG SER C 58 8.609 -1.847 -10.646 1.00 0.00 O ATOM 0 H SER C 58 7.628 -0.059 -10.235 1.00 0.00 H new ATOM 0 HA SER C 58 7.081 -0.364 -13.132 1.00 0.00 H new ATOM 0 HB2 SER C 58 7.737 -2.855 -12.224 1.00 0.00 H new ATOM 0 HB3 SER C 58 8.941 -1.664 -12.677 1.00 0.00 H new ATOM 0 HG SER C 58 9.303 -1.161 -10.559 1.00 0.00 H new ATOM 787 N ASN C 59 5.243 -1.731 -10.764 1.00 0.00 N ATOM 788 CA ASN C 59 3.918 -2.385 -10.546 1.00 0.00 C ATOM 789 C ASN C 59 2.779 -1.428 -10.913 1.00 0.00 C ATOM 790 O ASN C 59 1.619 -1.786 -10.848 1.00 0.00 O ATOM 791 CB ASN C 59 3.787 -2.787 -9.075 1.00 0.00 C ATOM 792 CG ASN C 59 4.218 -4.245 -8.903 1.00 0.00 C ATOM 793 OD1 ASN C 59 5.388 -4.530 -8.746 1.00 0.00 O ATOM 794 ND2 ASN C 59 3.314 -5.186 -8.925 1.00 0.00 N ATOM 0 H ASN C 59 5.762 -1.508 -9.915 1.00 0.00 H new ATOM 0 HA ASN C 59 3.854 -3.268 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.405 -2.139 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN C 59 2.757 -2.660 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN C 59 3.590 -6.161 -8.810 1.00 0.00 H new ATOM 0 HD22 ASN C 59 2.331 -4.946 -9.057 1.00 0.00 H new ATOM 801 N TYR C 60 3.088 -0.220 -11.295 1.00 0.00 N ATOM 802 CA TYR C 60 2.002 0.738 -11.659 1.00 0.00 C ATOM 803 C TYR C 60 1.980 0.967 -13.172 1.00 0.00 C ATOM 804 O TYR C 60 1.259 1.812 -13.664 1.00 0.00 O ATOM 805 CB TYR C 60 2.239 2.070 -10.944 1.00 0.00 C ATOM 806 CG TYR C 60 1.728 1.981 -9.500 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.332 0.771 -8.964 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.652 3.113 -8.717 1.00 0.00 C ATOM 809 CE1 TYR C 60 0.865 0.698 -7.668 1.00 0.00 C ATOM 810 CE2 TYR C 60 1.185 3.040 -7.422 1.00 0.00 C ATOM 811 CZ TYR C 60 0.787 1.831 -6.887 1.00 0.00 C ATOM 812 OH TYR C 60 0.318 1.760 -5.592 1.00 0.00 O ATOM 0 H TYR C 60 4.037 0.145 -11.371 1.00 0.00 H new ATOM 0 HA TYR C 60 1.043 0.320 -11.352 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.302 2.312 -10.949 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.726 2.874 -11.472 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.388 -0.125 -9.564 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.961 4.065 -9.122 1.00 0.00 H new ATOM 0 HE1 TYR C 60 0.558 -0.255 -7.262 1.00 0.00 H new ATOM 0 HE2 TYR C 60 1.130 3.936 -6.821 1.00 0.00 H new ATOM 0 HH TYR C 60 0.326 0.827 -5.292 1.00 0.00 H new ATOM 822 N VAL C 61 2.754 0.226 -13.917 1.00 0.00 N ATOM 823 CA VAL C 61 2.757 0.421 -15.395 1.00 0.00 C ATOM 824 C VAL C 61 3.131 -0.883 -16.091 1.00 0.00 C ATOM 825 O VAL C 61 3.626 -1.812 -15.482 1.00 0.00 O ATOM 826 CB VAL C 61 3.769 1.504 -15.771 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.087 1.248 -15.038 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.014 1.489 -17.281 1.00 0.00 C ATOM 0 H VAL C 61 3.380 -0.501 -13.570 1.00 0.00 H new ATOM 0 HA VAL C 61 1.760 0.727 -15.713 1.00 0.00 H new ATOM 0 HB VAL C 61 3.373 2.478 -15.483 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.808 2.020 -15.306 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.915 1.270 -13.962 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.478 0.271 -15.323 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.736 2.263 -17.540 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.405 0.515 -17.577 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.076 1.678 -17.804 1.00 0.00 H new ATOM 838 N ALA C 62 2.897 -0.953 -17.368 1.00 0.00 N ATOM 839 CA ALA C 62 3.231 -2.188 -18.126 1.00 0.00 C ATOM 840 C ALA C 62 3.107 -1.909 -19.629 1.00 0.00 C ATOM 841 O ALA C 62 2.241 -1.167 -20.046 1.00 0.00 O ATOM 842 CB ALA C 62 2.265 -3.308 -17.734 1.00 0.00 C ATOM 0 H ALA C 62 2.486 -0.203 -17.924 1.00 0.00 H new ATOM 0 HA ALA C 62 4.251 -2.493 -17.893 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.511 -4.212 -18.291 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.351 -3.505 -16.665 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.244 -3.006 -17.966 1.00 0.00 H new ATOM 848 N PRO C 63 3.981 -2.512 -20.397 1.00 0.00 N ATOM 849 CA PRO C 63 3.986 -2.339 -21.860 1.00 0.00 C ATOM 850 C PRO C 63 2.670 -2.846 -22.455 1.00 0.00 C ATOM 851 O PRO C 63 2.062 -3.766 -21.946 1.00 0.00 O ATOM 852 CB PRO C 63 5.164 -3.189 -22.353 1.00 0.00 C ATOM 853 CG PRO C 63 5.824 -3.846 -21.111 1.00 0.00 C ATOM 854 CD PRO C 63 5.030 -3.405 -19.872 1.00 0.00 C ATOM 0 HA PRO C 63 4.085 -1.294 -22.155 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.819 -3.952 -23.051 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.885 -2.570 -22.887 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.816 -4.932 -21.203 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.867 -3.541 -21.026 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.598 -4.261 -19.353 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.669 -2.887 -19.156 1.00 0.00 H new ATOM 862 N SER C 64 2.225 -2.251 -23.528 1.00 0.00 N ATOM 863 CA SER C 64 0.950 -2.702 -24.153 1.00 0.00 C ATOM 864 C SER C 64 0.985 -2.411 -25.655 1.00 0.00 C ATOM 865 O SER C 64 0.852 -3.349 -26.423 1.00 0.00 O ATOM 866 CB SER C 64 -0.224 -1.954 -23.517 1.00 0.00 C ATOM 867 OG SER C 64 -1.380 -2.778 -23.539 1.00 0.00 O ATOM 868 OXT SER C 64 1.146 -1.255 -26.011 1.00 0.00 O ATOM 0 H SER C 64 2.689 -1.473 -23.998 1.00 0.00 H new ATOM 0 HA SER C 64 0.828 -3.773 -23.993 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.020 -1.679 -22.491 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.415 -1.028 -24.059 1.00 0.00 H new ATOM 0 HG SER C 64 -2.131 -2.299 -23.130 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 13.664 2.824 -1.184 1.00 0.00 N ATOM 876 CA ARG R 71 12.473 3.367 -1.896 1.00 0.00 C ATOM 877 C ARG R 71 11.305 2.387 -1.759 1.00 0.00 C ATOM 878 O ARG R 71 10.177 2.779 -1.531 1.00 0.00 O ATOM 879 CB ARG R 71 12.807 3.559 -3.377 1.00 0.00 C ATOM 880 CG ARG R 71 11.858 4.593 -3.984 1.00 0.00 C ATOM 881 CD ARG R 71 12.455 5.991 -3.819 1.00 0.00 C ATOM 882 NE ARG R 71 11.361 7.003 -3.822 1.00 0.00 N ATOM 883 CZ ARG R 71 11.630 8.262 -4.046 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.861 8.641 -4.264 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.668 9.143 -4.051 1.00 0.00 N ATOM 0 HA ARG R 71 12.195 4.326 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.840 3.889 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.716 2.611 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.696 4.378 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG R 71 10.885 4.541 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG R 71 13.017 6.050 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.157 6.196 -4.628 1.00 0.00 H new ATOM 0 HE ARG R 71 10.399 6.712 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG R 71 13.615 7.954 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG R 71 13.069 9.624 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.706 8.849 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.877 10.126 -4.226 1.00 0.00 H new ATOM 901 N ALA R 72 11.565 1.114 -1.895 1.00 0.00 N ATOM 902 CA ALA R 72 10.469 0.112 -1.772 1.00 0.00 C ATOM 903 C ALA R 72 9.439 0.343 -2.880 1.00 0.00 C ATOM 904 O ALA R 72 9.256 1.449 -3.348 1.00 0.00 O ATOM 905 CB ALA R 72 9.793 0.259 -0.407 1.00 0.00 C ATOM 0 H ALA R 72 12.489 0.726 -2.086 1.00 0.00 H new ATOM 0 HA ALA R 72 10.883 -0.892 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.991 -0.474 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.526 0.093 0.382 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.379 1.263 -0.312 1.00 0.00 H new ATOM 911 N LEU R 73 8.765 -0.692 -3.304 1.00 0.00 N ATOM 912 CA LEU R 73 7.749 -0.525 -4.383 1.00 0.00 C ATOM 913 C LEU R 73 6.396 -0.160 -3.759 1.00 0.00 C ATOM 914 O LEU R 73 6.063 -0.630 -2.689 1.00 0.00 O ATOM 915 CB LEU R 73 7.615 -1.832 -5.166 1.00 0.00 C ATOM 916 CG LEU R 73 8.771 -1.946 -6.160 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.730 -3.319 -6.834 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.640 -0.852 -7.224 1.00 0.00 C ATOM 0 H LEU R 73 8.873 -1.643 -2.951 1.00 0.00 H new ATOM 0 HA LEU R 73 8.064 0.271 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.623 -2.681 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.662 -1.857 -5.694 1.00 0.00 H new ATOM 0 HG LEU R 73 9.717 -1.828 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.554 -3.401 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.823 -4.098 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.784 -3.437 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.464 -0.933 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.694 -0.970 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.668 0.127 -6.745 1.00 0.00 H new ATOM 930 N PRO R 74 5.657 0.672 -4.451 1.00 0.00 N ATOM 931 CA PRO R 74 4.334 1.123 -3.989 1.00 0.00 C ATOM 932 C PRO R 74 3.314 -0.018 -4.102 1.00 0.00 C ATOM 933 O PRO R 74 2.981 -0.434 -5.194 1.00 0.00 O ATOM 934 CB PRO R 74 3.955 2.256 -4.946 1.00 0.00 C ATOM 935 CG PRO R 74 5.007 2.280 -6.084 1.00 0.00 C ATOM 936 CD PRO R 74 6.087 1.243 -5.740 1.00 0.00 C ATOM 0 HA PRO R 74 4.348 1.442 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.956 2.097 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.937 3.211 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.541 2.045 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO R 74 5.446 3.273 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO R 74 6.158 0.475 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO R 74 7.070 1.706 -5.660 1.00 0.00 H new ATOM 944 N PRO R 75 2.844 -0.491 -2.975 1.00 0.00 N ATOM 945 CA PRO R 75 1.858 -1.584 -2.945 1.00 0.00 C ATOM 946 C PRO R 75 0.601 -1.158 -3.705 1.00 0.00 C ATOM 947 O PRO R 75 0.470 -0.017 -4.100 1.00 0.00 O ATOM 948 CB PRO R 75 1.554 -1.800 -1.456 1.00 0.00 C ATOM 949 CG PRO R 75 2.439 -0.816 -0.648 1.00 0.00 C ATOM 950 CD PRO R 75 3.248 0.020 -1.654 1.00 0.00 C ATOM 0 HA PRO R 75 2.222 -2.498 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.498 -1.622 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.765 -2.830 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.821 -0.170 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO R 75 3.106 -1.361 0.020 1.00 0.00 H new ATOM 0 HD2 PRO R 75 3.025 1.082 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO R 75 4.320 -0.097 -1.495 1.00 0.00 H new ATOM 958 N LEU R 76 -0.321 -2.056 -3.918 1.00 0.00 N ATOM 959 CA LEU R 76 -1.564 -1.683 -4.656 1.00 0.00 C ATOM 960 C LEU R 76 -2.062 -0.321 -4.157 1.00 0.00 C ATOM 961 O LEU R 76 -1.696 0.115 -3.084 1.00 0.00 O ATOM 962 CB LEU R 76 -2.641 -2.745 -4.420 1.00 0.00 C ATOM 963 CG LEU R 76 -2.399 -3.937 -5.353 1.00 0.00 C ATOM 964 CD1 LEU R 76 -3.567 -4.918 -5.240 1.00 0.00 C ATOM 965 CD2 LEU R 76 -2.286 -3.446 -6.799 1.00 0.00 C ATOM 0 H LEU R 76 -0.269 -3.029 -3.615 1.00 0.00 H new ATOM 0 HA LEU R 76 -1.350 -1.622 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -2.621 -3.073 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -3.629 -2.322 -4.602 1.00 0.00 H new ATOM 0 HG LEU R 76 -1.473 -4.436 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU R 76 -3.396 -5.766 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU R 76 -3.647 -5.272 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -4.492 -4.416 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU R 76 -2.114 -4.296 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -3.210 -2.944 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -1.453 -2.748 -6.882 1.00 0.00 H new ATOM 977 N PRO R 77 -2.885 0.311 -4.957 1.00 0.00 N ATOM 978 CA PRO R 77 -3.449 1.630 -4.620 1.00 0.00 C ATOM 979 C PRO R 77 -4.202 1.568 -3.288 1.00 0.00 C ATOM 980 O PRO R 77 -4.801 0.568 -2.948 1.00 0.00 O ATOM 981 CB PRO R 77 -4.409 1.955 -5.772 1.00 0.00 C ATOM 982 CG PRO R 77 -4.330 0.789 -6.793 1.00 0.00 C ATOM 983 CD PRO R 77 -3.329 -0.243 -6.250 1.00 0.00 C ATOM 0 HA PRO R 77 -2.677 2.391 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -5.427 2.070 -5.401 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -4.134 2.898 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -5.311 0.334 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -4.009 1.156 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -3.797 -1.219 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -2.490 -0.378 -6.932 1.00 0.00 H new ATOM 991 N ARG R 78 -4.175 2.634 -2.535 1.00 0.00 N ATOM 992 CA ARG R 78 -4.886 2.645 -1.227 1.00 0.00 C ATOM 993 C ARG R 78 -5.349 4.068 -0.913 1.00 0.00 C ATOM 994 O ARG R 78 -4.575 4.903 -0.486 1.00 0.00 O ATOM 995 CB ARG R 78 -3.936 2.161 -0.128 1.00 0.00 C ATOM 996 CG ARG R 78 -4.613 2.310 1.238 1.00 0.00 C ATOM 997 CD ARG R 78 -3.614 2.893 2.239 1.00 0.00 C ATOM 998 NE ARG R 78 -3.858 4.355 2.392 1.00 0.00 N ATOM 999 CZ ARG R 78 -4.840 4.781 3.140 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -5.618 3.930 3.752 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -5.047 6.063 3.272 1.00 0.00 N ATOM 0 H ARG R 78 -3.690 3.499 -2.771 1.00 0.00 H new ATOM 0 HA ARG R 78 -5.751 1.984 -1.275 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -3.666 1.119 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -3.012 2.738 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -5.484 2.960 1.156 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -4.971 1.341 1.587 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -3.716 2.394 3.203 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -2.595 2.718 1.895 1.00 0.00 H new ATOM 0 HE ARG R 78 -3.257 5.024 1.912 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -5.460 2.928 3.647 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -6.384 4.267 4.335 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -4.442 6.729 2.791 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -5.813 6.398 3.856 1.00 0.00 H new ATOM 1015 N TYR R 79 -6.604 4.354 -1.124 1.00 0.00 N ATOM 1016 CA TYR R 79 -7.117 5.723 -0.839 1.00 0.00 C ATOM 1017 C TYR R 79 -6.558 6.208 0.502 1.00 0.00 C ATOM 1018 O TYR R 79 -5.986 7.285 0.527 1.00 0.00 O ATOM 1019 CB TYR R 79 -8.644 5.693 -0.774 1.00 0.00 C ATOM 1020 CG TYR R 79 -9.183 7.124 -0.735 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -9.246 7.879 -1.888 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -9.611 7.680 0.453 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -9.731 9.171 -1.854 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -10.096 8.972 0.486 1.00 0.00 C ATOM 1025 CZ TYR R 79 -10.160 9.727 -0.666 1.00 0.00 C ATOM 1026 OH TYR R 79 -10.645 11.018 -0.632 1.00 0.00 O ATOM 1027 OXT TYR R 79 -6.712 5.493 1.478 1.00 0.00 O ATOM 0 H TYR R 79 -7.297 3.697 -1.482 1.00 0.00 H new ATOM 0 HA TYR R 79 -6.801 6.401 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -9.045 5.166 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -8.970 5.146 0.111 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -8.913 7.456 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -9.566 7.100 1.363 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -9.775 9.751 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -10.428 9.395 1.422 1.00 0.00 H new ATOM 0 HH TYR R 79 -10.903 11.246 0.285 1.00 0.00 H new TER 1037 TYR R 79