USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 661 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 66 TYR OH : rot -15:sc= -0.801 USER MOD Set 1.2: A 70 SER OG : rot 117:sc= 0.838 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.42 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 1.29 USER MOD Single : A 6 SER OG : rot -30:sc= 0.833 USER MOD Single : A 10 GLN : amide:sc= -0.926 K(o=-0.93,f=-2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -94:sc= 0.0521 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.944 K(o=-0.94,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00648) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.31) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 77 ASN : amide:sc= -1.61! C(o=-1.6!,f=-2.6!) USER MOD Single : A 78 TYR OH : rot -95:sc= -0.586 USER MOD Single : A 80 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.980 3.120 -37.766 1.00 0.00 N ATOM 2 CA GLY A 1 2.727 3.687 -37.303 1.00 0.00 C ATOM 3 C GLY A 1 2.540 3.535 -35.807 1.00 0.00 C ATOM 4 O GLY A 1 2.617 2.429 -35.273 1.00 0.00 O ATOM 0 H1 GLY A 1 4.060 3.249 -38.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.773 3.599 -37.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.006 2.105 -37.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.691 4.744 -37.565 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.899 3.202 -37.821 1.00 0.00 H new ATOM 8 N SER A 2 2.294 4.651 -35.127 1.00 0.00 N ATOM 9 CA SER A 2 2.102 4.638 -33.681 1.00 0.00 C ATOM 10 C SER A 2 1.217 5.800 -33.241 1.00 0.00 C ATOM 11 O SER A 2 1.473 6.954 -33.583 1.00 0.00 O ATOM 12 CB SER A 2 3.451 4.710 -32.965 1.00 0.00 C ATOM 13 OG SER A 2 4.040 5.990 -33.113 1.00 0.00 O ATOM 0 H SER A 2 2.223 5.575 -35.554 1.00 0.00 H new ATOM 0 HA SER A 2 1.607 3.705 -33.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.316 4.489 -31.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.121 3.950 -33.367 1.00 0.00 H new ATOM 0 HG SER A 2 3.345 6.647 -33.326 1.00 0.00 H new ATOM 19 N SER A 3 0.174 5.486 -32.479 1.00 0.00 N ATOM 20 CA SER A 3 -0.752 6.503 -31.994 1.00 0.00 C ATOM 21 C SER A 3 -0.992 6.349 -30.495 1.00 0.00 C ATOM 22 O SER A 3 -1.377 5.281 -30.023 1.00 0.00 O ATOM 23 CB SER A 3 -2.082 6.412 -32.746 1.00 0.00 C ATOM 24 OG SER A 3 -2.774 7.648 -32.709 1.00 0.00 O ATOM 0 H SER A 3 -0.051 4.536 -32.184 1.00 0.00 H new ATOM 0 HA SER A 3 -0.306 7.481 -32.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.899 6.125 -33.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.701 5.632 -32.303 1.00 0.00 H new ATOM 0 HG SER A 3 -3.619 7.564 -33.198 1.00 0.00 H new ATOM 30 N GLY A 4 -0.760 7.427 -29.752 1.00 0.00 N ATOM 31 CA GLY A 4 -0.954 7.392 -28.314 1.00 0.00 C ATOM 32 C GLY A 4 -2.402 7.607 -27.920 1.00 0.00 C ATOM 33 O GLY A 4 -2.989 8.644 -28.229 1.00 0.00 O ATOM 0 H GLY A 4 -0.441 8.323 -30.120 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.614 6.431 -27.928 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.336 8.159 -27.848 1.00 0.00 H new ATOM 37 N SER A 5 -2.980 6.624 -27.237 1.00 0.00 N ATOM 38 CA SER A 5 -4.370 6.708 -26.805 1.00 0.00 C ATOM 39 C SER A 5 -4.689 5.618 -25.786 1.00 0.00 C ATOM 40 O SER A 5 -3.886 4.715 -25.556 1.00 0.00 O ATOM 41 CB SER A 5 -5.308 6.588 -28.008 1.00 0.00 C ATOM 42 OG SER A 5 -5.512 7.848 -28.624 1.00 0.00 O ATOM 0 H SER A 5 -2.507 5.760 -26.971 1.00 0.00 H new ATOM 0 HA SER A 5 -4.520 7.678 -26.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.888 5.890 -28.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.265 6.177 -27.687 1.00 0.00 H new ATOM 0 HG SER A 5 -4.727 8.415 -28.476 1.00 0.00 H new ATOM 48 N SER A 6 -5.868 5.711 -25.179 1.00 0.00 N ATOM 49 CA SER A 6 -6.293 4.736 -24.182 1.00 0.00 C ATOM 50 C SER A 6 -5.240 4.583 -23.088 1.00 0.00 C ATOM 51 O SER A 6 -4.976 3.479 -22.616 1.00 0.00 O ATOM 52 CB SER A 6 -6.560 3.382 -24.842 1.00 0.00 C ATOM 53 OG SER A 6 -5.351 2.674 -25.060 1.00 0.00 O ATOM 0 H SER A 6 -6.546 6.452 -25.360 1.00 0.00 H new ATOM 0 HA SER A 6 -7.215 5.098 -23.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.223 2.790 -24.211 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.074 3.532 -25.792 1.00 0.00 H new ATOM 0 HG SER A 6 -4.622 3.311 -25.212 1.00 0.00 H new ATOM 59 N GLY A 7 -4.641 5.702 -22.691 1.00 0.00 N ATOM 60 CA GLY A 7 -3.624 5.672 -21.657 1.00 0.00 C ATOM 61 C GLY A 7 -4.184 5.280 -20.304 1.00 0.00 C ATOM 62 O GLY A 7 -5.400 5.255 -20.112 1.00 0.00 O ATOM 0 H GLY A 7 -4.842 6.628 -23.067 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.842 4.968 -21.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.157 6.654 -21.583 1.00 0.00 H new ATOM 66 N ILE A 8 -3.296 4.972 -19.365 1.00 0.00 N ATOM 67 CA ILE A 8 -3.709 4.579 -18.023 1.00 0.00 C ATOM 68 C ILE A 8 -2.923 5.340 -16.961 1.00 0.00 C ATOM 69 O ILE A 8 -1.712 5.527 -17.084 1.00 0.00 O ATOM 70 CB ILE A 8 -3.523 3.067 -17.798 1.00 0.00 C ATOM 71 CG1 ILE A 8 -4.335 2.272 -18.823 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.931 2.688 -16.382 1.00 0.00 C ATOM 73 CD1 ILE A 8 -3.779 0.893 -19.096 1.00 0.00 C ATOM 0 H ILE A 8 -2.286 4.987 -19.508 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.767 4.824 -17.934 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.469 2.823 -17.930 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.361 2.177 -18.467 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.372 2.831 -19.758 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.794 1.616 -16.238 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.313 3.232 -15.667 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.979 2.944 -16.224 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.405 0.387 -19.832 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.763 0.980 -19.482 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.767 0.316 -18.171 1.00 0.00 H new ATOM 85 N LEU A 9 -3.620 5.776 -15.917 1.00 0.00 N ATOM 86 CA LEU A 9 -2.988 6.516 -14.831 1.00 0.00 C ATOM 87 C LEU A 9 -1.801 5.743 -14.264 1.00 0.00 C ATOM 88 O LEU A 9 -1.816 4.514 -14.216 1.00 0.00 O ATOM 89 CB LEU A 9 -4.003 6.800 -13.722 1.00 0.00 C ATOM 90 CG LEU A 9 -4.555 5.578 -12.989 1.00 0.00 C ATOM 91 CD1 LEU A 9 -3.637 5.183 -11.842 1.00 0.00 C ATOM 92 CD2 LEU A 9 -5.961 5.853 -12.477 1.00 0.00 C ATOM 0 H LEU A 9 -4.623 5.630 -15.800 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.624 7.462 -15.233 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.536 7.458 -12.989 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.840 7.348 -14.155 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.602 4.747 -13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.047 4.311 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.648 4.943 -12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.558 6.011 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.338 4.972 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.939 6.698 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.615 6.087 -13.317 1.00 0.00 H new ATOM 104 N GLN A 10 -0.777 6.473 -13.834 1.00 0.00 N ATOM 105 CA GLN A 10 0.417 5.856 -13.268 1.00 0.00 C ATOM 106 C GLN A 10 0.047 4.858 -12.175 1.00 0.00 C ATOM 107 O GLN A 10 0.333 3.666 -12.287 1.00 0.00 O ATOM 108 CB GLN A 10 1.352 6.926 -12.703 1.00 0.00 C ATOM 109 CG GLN A 10 2.754 6.416 -12.411 1.00 0.00 C ATOM 110 CD GLN A 10 3.334 5.614 -13.559 1.00 0.00 C ATOM 111 OE1 GLN A 10 2.987 5.830 -14.720 1.00 0.00 O ATOM 112 NE2 GLN A 10 4.223 4.681 -13.239 1.00 0.00 N ATOM 0 H GLN A 10 -0.750 7.492 -13.867 1.00 0.00 H new ATOM 0 HA GLN A 10 0.931 5.320 -14.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.415 7.752 -13.411 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.921 7.325 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.407 7.262 -12.197 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.732 5.796 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.481 4.536 -12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.648 4.109 -13.969 1.00 0.00 H new ATOM 121 N SER A 11 -0.589 5.354 -11.119 1.00 0.00 N ATOM 122 CA SER A 11 -0.994 4.506 -10.003 1.00 0.00 C ATOM 123 C SER A 11 -1.968 5.242 -9.088 1.00 0.00 C ATOM 124 O SER A 11 -2.096 6.465 -9.153 1.00 0.00 O ATOM 125 CB SER A 11 0.232 4.056 -9.206 1.00 0.00 C ATOM 126 OG SER A 11 -0.064 2.919 -8.414 1.00 0.00 O ATOM 0 H SER A 11 -0.835 6.338 -11.012 1.00 0.00 H new ATOM 0 HA SER A 11 -1.497 3.628 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.049 3.824 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.573 4.870 -8.566 1.00 0.00 H new ATOM 0 HG SER A 11 0.736 2.650 -7.916 1.00 0.00 H new ATOM 132 N LEU A 12 -2.652 4.487 -8.235 1.00 0.00 N ATOM 133 CA LEU A 12 -3.616 5.066 -7.305 1.00 0.00 C ATOM 134 C LEU A 12 -3.697 4.243 -6.023 1.00 0.00 C ATOM 135 O LEU A 12 -4.005 3.052 -6.057 1.00 0.00 O ATOM 136 CB LEU A 12 -4.996 5.152 -7.958 1.00 0.00 C ATOM 137 CG LEU A 12 -6.089 5.830 -7.131 1.00 0.00 C ATOM 138 CD1 LEU A 12 -5.912 7.340 -7.149 1.00 0.00 C ATOM 139 CD2 LEU A 12 -7.467 5.447 -7.650 1.00 0.00 C ATOM 0 H LEU A 12 -2.557 3.474 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.279 6.071 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.897 5.689 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.325 4.141 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.003 5.486 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.699 7.806 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.940 7.597 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.970 7.701 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.232 5.939 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.565 5.761 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.593 4.366 -7.584 1.00 0.00 H new ATOM 151 N SER A 13 -3.420 4.887 -4.894 1.00 0.00 N ATOM 152 CA SER A 13 -3.460 4.215 -3.601 1.00 0.00 C ATOM 153 C SER A 13 -3.857 5.188 -2.494 1.00 0.00 C ATOM 154 O SER A 13 -3.389 6.325 -2.456 1.00 0.00 O ATOM 155 CB SER A 13 -2.100 3.592 -3.283 1.00 0.00 C ATOM 156 OG SER A 13 -1.704 2.687 -4.300 1.00 0.00 O ATOM 0 H SER A 13 -3.165 5.874 -4.849 1.00 0.00 H new ATOM 0 HA SER A 13 -4.210 3.426 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.352 4.378 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.150 3.071 -2.327 1.00 0.00 H new ATOM 0 HG SER A 13 -1.981 1.779 -4.056 1.00 0.00 H new ATOM 162 N ALA A 14 -4.724 4.731 -1.596 1.00 0.00 N ATOM 163 CA ALA A 14 -5.183 5.559 -0.488 1.00 0.00 C ATOM 164 C ALA A 14 -4.391 5.265 0.782 1.00 0.00 C ATOM 165 O ALA A 14 -4.028 6.177 1.525 1.00 0.00 O ATOM 166 CB ALA A 14 -6.670 5.343 -0.248 1.00 0.00 C ATOM 0 H ALA A 14 -5.122 3.792 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.018 6.603 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.999 5.968 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.226 5.611 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.851 4.295 -0.008 1.00 0.00 H new ATOM 172 N LEU A 15 -4.128 3.986 1.026 1.00 0.00 N ATOM 173 CA LEU A 15 -3.380 3.571 2.207 1.00 0.00 C ATOM 174 C LEU A 15 -1.879 3.582 1.933 1.00 0.00 C ATOM 175 O LEU A 15 -1.448 3.745 0.792 1.00 0.00 O ATOM 176 CB LEU A 15 -3.818 2.173 2.648 1.00 0.00 C ATOM 177 CG LEU A 15 -3.154 1.001 1.924 1.00 0.00 C ATOM 178 CD1 LEU A 15 -3.157 -0.240 2.802 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.855 0.724 0.602 1.00 0.00 C ATOM 0 H LEU A 15 -4.422 3.219 0.422 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.591 4.281 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.622 2.073 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.897 2.093 2.513 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.119 1.269 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.680 -1.063 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.608 -0.036 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.184 -0.511 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.369 -0.113 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.900 0.478 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.799 1.609 -0.032 1.00 0.00 H new ATOM 191 N ASP A 16 -1.089 3.407 2.987 1.00 0.00 N ATOM 192 CA ASP A 16 0.363 3.394 2.860 1.00 0.00 C ATOM 193 C ASP A 16 0.791 2.678 1.583 1.00 0.00 C ATOM 194 O ASP A 16 1.423 3.270 0.708 1.00 0.00 O ATOM 195 CB ASP A 16 0.997 2.717 4.076 1.00 0.00 C ATOM 196 CG ASP A 16 0.505 3.301 5.386 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.712 4.512 5.609 1.00 0.00 O ATOM 198 OD2 ASP A 16 -0.086 2.547 6.187 1.00 0.00 O ATOM 0 H ASP A 16 -1.430 3.272 3.939 1.00 0.00 H new ATOM 0 HA ASP A 16 0.707 4.427 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.775 1.650 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.081 2.818 4.021 1.00 0.00 H new ATOM 203 N PHE A 17 0.442 1.400 1.482 1.00 0.00 N ATOM 204 CA PHE A 17 0.791 0.601 0.313 1.00 0.00 C ATOM 205 C PHE A 17 -0.322 -0.387 -0.023 1.00 0.00 C ATOM 206 O PHE A 17 -1.025 -0.871 0.864 1.00 0.00 O ATOM 207 CB PHE A 17 2.101 -0.152 0.556 1.00 0.00 C ATOM 208 CG PHE A 17 1.969 -1.281 1.538 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.261 -2.426 1.207 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.554 -1.199 2.791 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.138 -3.465 2.109 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.435 -2.236 3.698 1.00 0.00 C ATOM 213 CZ PHE A 17 1.727 -3.371 3.355 1.00 0.00 C ATOM 0 H PHE A 17 -0.083 0.895 2.196 1.00 0.00 H new ATOM 0 HA PHE A 17 0.920 1.277 -0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.466 -0.547 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.852 0.549 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.801 -2.507 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.110 -0.314 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.581 -4.351 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.895 -2.158 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.634 -4.184 4.060 1.00 0.00 H new ATOM 223 N ASP A 18 -0.476 -0.679 -1.310 1.00 0.00 N ATOM 224 CA ASP A 18 -1.503 -1.610 -1.765 1.00 0.00 C ATOM 225 C ASP A 18 -0.915 -2.998 -1.996 1.00 0.00 C ATOM 226 O ASP A 18 0.222 -3.151 -2.443 1.00 0.00 O ATOM 227 CB ASP A 18 -2.152 -1.096 -3.051 1.00 0.00 C ATOM 228 CG ASP A 18 -3.356 -0.215 -2.780 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.160 0.933 -2.328 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.493 -0.672 -3.020 1.00 0.00 O ATOM 0 H ASP A 18 0.097 -0.285 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.263 -1.683 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.416 -0.534 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.457 -1.944 -3.665 1.00 0.00 H new ATOM 235 N PRO A 19 -1.706 -4.036 -1.684 1.00 0.00 N ATOM 236 CA PRO A 19 -1.284 -5.430 -1.849 1.00 0.00 C ATOM 237 C PRO A 19 -1.170 -5.831 -3.316 1.00 0.00 C ATOM 238 O PRO A 19 -0.209 -6.489 -3.717 1.00 0.00 O ATOM 239 CB PRO A 19 -2.400 -6.221 -1.163 1.00 0.00 C ATOM 240 CG PRO A 19 -3.595 -5.334 -1.239 1.00 0.00 C ATOM 241 CD PRO A 19 -3.073 -3.927 -1.147 1.00 0.00 C ATOM 0 HA PRO A 19 -0.295 -5.610 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.579 -7.171 -1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.144 -6.452 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.137 -5.489 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.291 -5.546 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.680 -3.234 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.074 -3.564 -0.119 1.00 0.00 H new ATOM 249 N TYR A 20 -2.155 -5.431 -4.112 1.00 0.00 N ATOM 250 CA TYR A 20 -2.166 -5.751 -5.534 1.00 0.00 C ATOM 251 C TYR A 20 -0.969 -5.124 -6.243 1.00 0.00 C ATOM 252 O TYR A 20 -0.385 -5.723 -7.147 1.00 0.00 O ATOM 253 CB TYR A 20 -3.466 -5.265 -6.178 1.00 0.00 C ATOM 254 CG TYR A 20 -4.660 -6.139 -5.866 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.968 -7.237 -6.659 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.478 -5.867 -4.777 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.058 -8.038 -6.378 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.570 -6.663 -4.487 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.856 -7.747 -5.291 1.00 0.00 C ATOM 260 OH TYR A 20 -7.942 -8.542 -5.006 1.00 0.00 O ATOM 0 H TYR A 20 -2.956 -4.884 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.100 -6.834 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.672 -4.249 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.332 -5.220 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.345 -7.469 -7.510 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.257 -5.019 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.284 -8.887 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.196 -6.438 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.397 -8.200 -4.208 1.00 0.00 H new ATOM 270 N ARG A 21 -0.609 -3.915 -5.825 1.00 0.00 N ATOM 271 CA ARG A 21 0.517 -3.205 -6.419 1.00 0.00 C ATOM 272 C ARG A 21 1.835 -3.894 -6.076 1.00 0.00 C ATOM 273 O ARG A 21 2.703 -4.060 -6.933 1.00 0.00 O ATOM 274 CB ARG A 21 0.546 -1.755 -5.935 1.00 0.00 C ATOM 275 CG ARG A 21 -0.735 -0.990 -6.227 1.00 0.00 C ATOM 276 CD ARG A 21 -0.778 -0.504 -7.667 1.00 0.00 C ATOM 277 NE ARG A 21 -2.105 -0.025 -8.044 1.00 0.00 N ATOM 278 CZ ARG A 21 -2.379 0.533 -9.218 1.00 0.00 C ATOM 279 NH1 ARG A 21 -1.423 0.680 -10.125 1.00 0.00 N ATOM 280 NH2 ARG A 21 -3.611 0.944 -9.487 1.00 0.00 N ATOM 0 H ARG A 21 -1.081 -3.407 -5.077 1.00 0.00 H new ATOM 0 HA ARG A 21 0.391 -3.216 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.730 -1.743 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.383 -1.240 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.595 -1.631 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.813 -0.138 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.052 0.298 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.483 -1.315 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.863 -0.124 -7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.475 0.364 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.636 1.109 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.349 0.832 -8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.820 1.372 -10.389 1.00 0.00 H new ATOM 294 N VAL A 22 1.979 -4.291 -4.816 1.00 0.00 N ATOM 295 CA VAL A 22 3.190 -4.962 -4.359 1.00 0.00 C ATOM 296 C VAL A 22 3.405 -6.275 -5.103 1.00 0.00 C ATOM 297 O VAL A 22 4.468 -6.507 -5.680 1.00 0.00 O ATOM 298 CB VAL A 22 3.138 -5.244 -2.845 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.232 -6.224 -2.447 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.259 -3.949 -2.057 1.00 0.00 C ATOM 0 H VAL A 22 1.272 -4.159 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 22 4.022 -4.290 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 22 2.174 -5.696 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.180 -6.411 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.095 -7.161 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.206 -5.802 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.220 -4.167 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.207 -3.466 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.437 -3.284 -2.321 1.00 0.00 H new ATOM 310 N LEU A 23 2.390 -7.131 -5.086 1.00 0.00 N ATOM 311 CA LEU A 23 2.467 -8.423 -5.760 1.00 0.00 C ATOM 312 C LEU A 23 2.568 -8.243 -7.271 1.00 0.00 C ATOM 313 O LEU A 23 3.236 -9.018 -7.955 1.00 0.00 O ATOM 314 CB LEU A 23 1.242 -9.273 -5.417 1.00 0.00 C ATOM 315 CG LEU A 23 1.221 -9.885 -4.016 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.152 -10.459 -3.705 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.292 -10.958 -3.886 1.00 0.00 C ATOM 0 H LEU A 23 1.504 -6.954 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 23 3.365 -8.934 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.352 -8.656 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.169 -10.080 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 23 1.435 -9.098 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.148 -10.890 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.898 -9.666 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.396 -11.233 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.262 -11.382 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.110 -11.745 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.273 -10.517 -4.064 1.00 0.00 H new ATOM 329 N GLY A 24 1.903 -7.213 -7.786 1.00 0.00 N ATOM 330 CA GLY A 24 1.932 -6.949 -9.212 1.00 0.00 C ATOM 331 C GLY A 24 0.768 -7.587 -9.945 1.00 0.00 C ATOM 332 O GLY A 24 0.947 -8.193 -11.001 1.00 0.00 O ATOM 0 H GLY A 24 1.345 -6.557 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.916 -5.872 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.868 -7.322 -9.628 1.00 0.00 H new ATOM 336 N VAL A 25 -0.428 -7.451 -9.382 1.00 0.00 N ATOM 337 CA VAL A 25 -1.627 -8.020 -9.988 1.00 0.00 C ATOM 338 C VAL A 25 -2.786 -7.031 -9.945 1.00 0.00 C ATOM 339 O VAL A 25 -2.739 -6.035 -9.223 1.00 0.00 O ATOM 340 CB VAL A 25 -2.050 -9.321 -9.282 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.149 -10.473 -9.700 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.029 -9.138 -7.772 1.00 0.00 C ATOM 0 H VAL A 25 -0.593 -6.952 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.381 -8.243 -11.026 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.070 -9.562 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.463 -11.384 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.219 -10.617 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.118 -10.244 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.331 -10.067 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.021 -8.873 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.720 -8.343 -7.492 1.00 0.00 H new ATOM 352 N SER A 26 -3.827 -7.313 -10.723 1.00 0.00 N ATOM 353 CA SER A 26 -4.998 -6.446 -10.776 1.00 0.00 C ATOM 354 C SER A 26 -6.211 -7.134 -10.158 1.00 0.00 C ATOM 355 O SER A 26 -6.154 -8.309 -9.794 1.00 0.00 O ATOM 356 CB SER A 26 -5.303 -6.053 -12.223 1.00 0.00 C ATOM 357 OG SER A 26 -4.622 -4.863 -12.582 1.00 0.00 O ATOM 0 H SER A 26 -3.883 -8.135 -11.325 1.00 0.00 H new ATOM 0 HA SER A 26 -4.780 -5.546 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.008 -6.861 -12.893 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.377 -5.913 -12.347 1.00 0.00 H new ATOM 0 HG SER A 26 -4.832 -4.634 -13.511 1.00 0.00 H new ATOM 363 N ARG A 27 -7.309 -6.394 -10.043 1.00 0.00 N ATOM 364 CA ARG A 27 -8.536 -6.931 -9.468 1.00 0.00 C ATOM 365 C ARG A 27 -8.928 -8.239 -10.149 1.00 0.00 C ATOM 366 O ARG A 27 -9.479 -9.141 -9.516 1.00 0.00 O ATOM 367 CB ARG A 27 -9.673 -5.916 -9.599 1.00 0.00 C ATOM 368 CG ARG A 27 -9.998 -5.547 -11.037 1.00 0.00 C ATOM 369 CD ARG A 27 -9.180 -4.354 -11.505 1.00 0.00 C ATOM 370 NE ARG A 27 -9.828 -3.642 -12.603 1.00 0.00 N ATOM 371 CZ ARG A 27 -9.604 -2.363 -12.884 1.00 0.00 C ATOM 372 NH1 ARG A 27 -8.752 -1.660 -12.151 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.233 -1.786 -13.900 1.00 0.00 N ATOM 0 H ARG A 27 -7.374 -5.421 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.355 -7.130 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.567 -6.322 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.406 -5.012 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.802 -6.401 -11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.060 -5.318 -11.124 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.026 -3.670 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.195 -4.693 -11.825 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.489 -4.155 -13.186 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.267 -2.101 -11.370 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.581 -0.678 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.889 -2.324 -14.466 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.061 -0.804 -14.115 1.00 0.00 H new ATOM 387 N THR A 28 -8.641 -8.336 -11.443 1.00 0.00 N ATOM 388 CA THR A 28 -8.965 -9.532 -12.211 1.00 0.00 C ATOM 389 C THR A 28 -8.271 -10.761 -11.632 1.00 0.00 C ATOM 390 O THR A 28 -8.732 -11.888 -11.814 1.00 0.00 O ATOM 391 CB THR A 28 -8.561 -9.378 -13.689 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.207 -8.920 -13.782 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.482 -8.400 -14.402 1.00 0.00 C ATOM 0 H THR A 28 -8.184 -7.600 -11.982 1.00 0.00 H new ATOM 0 HA THR A 28 -10.045 -9.664 -12.150 1.00 0.00 H new ATOM 0 HB THR A 28 -8.648 -10.352 -14.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.957 -8.826 -14.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.177 -8.307 -15.444 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.508 -8.766 -14.355 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.422 -7.425 -13.918 1.00 0.00 H new ATOM 401 N ALA A 29 -7.163 -10.535 -10.935 1.00 0.00 N ATOM 402 CA ALA A 29 -6.408 -11.624 -10.327 1.00 0.00 C ATOM 403 C ALA A 29 -7.139 -12.189 -9.114 1.00 0.00 C ATOM 404 O ALA A 29 -7.526 -11.448 -8.211 1.00 0.00 O ATOM 405 CB ALA A 29 -5.018 -11.147 -9.934 1.00 0.00 C ATOM 0 H ALA A 29 -6.768 -9.608 -10.777 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.311 -12.422 -11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.465 -11.970 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.489 -10.799 -10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.103 -10.330 -9.218 1.00 0.00 H new ATOM 411 N SER A 30 -7.324 -13.505 -9.100 1.00 0.00 N ATOM 412 CA SER A 30 -8.013 -14.168 -7.999 1.00 0.00 C ATOM 413 C SER A 30 -7.029 -14.950 -7.135 1.00 0.00 C ATOM 414 O SER A 30 -5.866 -15.121 -7.500 1.00 0.00 O ATOM 415 CB SER A 30 -9.094 -15.108 -8.538 1.00 0.00 C ATOM 416 OG SER A 30 -10.256 -14.387 -8.911 1.00 0.00 O ATOM 0 H SER A 30 -7.007 -14.133 -9.838 1.00 0.00 H new ATOM 0 HA SER A 30 -8.482 -13.401 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.709 -15.654 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.349 -15.848 -7.779 1.00 0.00 H new ATOM 0 HG SER A 30 -10.931 -15.009 -9.254 1.00 0.00 H new ATOM 422 N GLN A 31 -7.504 -15.423 -5.987 1.00 0.00 N ATOM 423 CA GLN A 31 -6.666 -16.186 -5.070 1.00 0.00 C ATOM 424 C GLN A 31 -5.664 -17.045 -5.835 1.00 0.00 C ATOM 425 O GLN A 31 -4.545 -17.267 -5.375 1.00 0.00 O ATOM 426 CB GLN A 31 -7.532 -17.070 -4.171 1.00 0.00 C ATOM 427 CG GLN A 31 -6.876 -17.415 -2.843 1.00 0.00 C ATOM 428 CD GLN A 31 -7.182 -16.399 -1.760 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.114 -16.574 -0.974 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.397 -15.329 -1.712 1.00 0.00 N ATOM 0 H GLN A 31 -8.465 -15.291 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.113 -15.480 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.477 -16.563 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.767 -17.993 -4.701 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.215 -18.399 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.797 -17.479 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.636 -15.224 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.555 -14.612 -1.004 1.00 0.00 H new ATOM 439 N ALA A 32 -6.075 -17.525 -7.003 1.00 0.00 N ATOM 440 CA ALA A 32 -5.213 -18.358 -7.832 1.00 0.00 C ATOM 441 C ALA A 32 -4.046 -17.553 -8.393 1.00 0.00 C ATOM 442 O ALA A 32 -2.883 -17.870 -8.142 1.00 0.00 O ATOM 443 CB ALA A 32 -6.014 -18.987 -8.963 1.00 0.00 C ATOM 0 H ALA A 32 -7.000 -17.352 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.806 -19.151 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.357 -19.606 -9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.810 -19.604 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.450 -18.202 -9.581 1.00 0.00 H new ATOM 449 N ASP A 33 -4.363 -16.511 -9.154 1.00 0.00 N ATOM 450 CA ASP A 33 -3.341 -15.660 -9.750 1.00 0.00 C ATOM 451 C ASP A 33 -2.472 -15.018 -8.672 1.00 0.00 C ATOM 452 O ASP A 33 -1.247 -14.979 -8.792 1.00 0.00 O ATOM 453 CB ASP A 33 -3.988 -14.575 -10.612 1.00 0.00 C ATOM 454 CG ASP A 33 -3.100 -14.141 -11.761 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.489 -15.021 -12.405 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.015 -12.922 -12.018 1.00 0.00 O ATOM 0 H ASP A 33 -5.321 -16.236 -9.372 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.707 -16.284 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.934 -14.946 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.220 -13.711 -9.989 1.00 0.00 H new ATOM 461 N ILE A 34 -3.114 -14.517 -7.623 1.00 0.00 N ATOM 462 CA ILE A 34 -2.399 -13.877 -6.525 1.00 0.00 C ATOM 463 C ILE A 34 -1.446 -14.855 -5.846 1.00 0.00 C ATOM 464 O ILE A 34 -0.272 -14.550 -5.635 1.00 0.00 O ATOM 465 CB ILE A 34 -3.372 -13.312 -5.473 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.355 -12.339 -6.127 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.603 -12.625 -4.355 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.632 -12.149 -5.338 1.00 0.00 C ATOM 0 H ILE A 34 -4.127 -14.541 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.827 -13.056 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.939 -14.138 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.868 -11.372 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.604 -12.702 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.304 -12.231 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.939 -13.344 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.013 -11.807 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.282 -11.447 -5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.142 -13.107 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.394 -11.756 -4.349 1.00 0.00 H new ATOM 480 N LYS A 35 -1.958 -16.033 -5.507 1.00 0.00 N ATOM 481 CA LYS A 35 -1.153 -17.059 -4.855 1.00 0.00 C ATOM 482 C LYS A 35 0.080 -17.394 -5.688 1.00 0.00 C ATOM 483 O LYS A 35 1.210 -17.306 -5.207 1.00 0.00 O ATOM 484 CB LYS A 35 -1.986 -18.322 -4.627 1.00 0.00 C ATOM 485 CG LYS A 35 -1.169 -19.514 -4.159 1.00 0.00 C ATOM 486 CD LYS A 35 -0.495 -20.220 -5.323 1.00 0.00 C ATOM 487 CE LYS A 35 -0.320 -21.706 -5.047 1.00 0.00 C ATOM 488 NZ LYS A 35 0.562 -22.357 -6.055 1.00 0.00 N ATOM 0 H LYS A 35 -2.928 -16.301 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.824 -16.669 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.758 -18.109 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.496 -18.583 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.413 -19.181 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.816 -20.215 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.090 -20.084 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.478 -19.767 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.103 -21.843 -4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.295 -22.193 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.656 -23.368 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.146 -22.248 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.501 -21.909 -6.036 1.00 0.00 H new ATOM 502 N LYS A 36 -0.143 -17.777 -6.940 1.00 0.00 N ATOM 503 CA LYS A 36 0.949 -18.122 -7.842 1.00 0.00 C ATOM 504 C LYS A 36 1.902 -16.944 -8.020 1.00 0.00 C ATOM 505 O LYS A 36 3.118 -17.120 -8.073 1.00 0.00 O ATOM 506 CB LYS A 36 0.397 -18.555 -9.203 1.00 0.00 C ATOM 507 CG LYS A 36 1.378 -18.361 -10.346 1.00 0.00 C ATOM 508 CD LYS A 36 0.790 -18.823 -11.669 1.00 0.00 C ATOM 509 CE LYS A 36 1.616 -18.331 -12.848 1.00 0.00 C ATOM 510 NZ LYS A 36 0.909 -18.533 -14.143 1.00 0.00 N ATOM 0 H LYS A 36 -1.072 -17.856 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 36 1.503 -18.951 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.113 -19.606 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.511 -17.990 -9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.653 -17.309 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.293 -18.916 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.742 -19.912 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.232 -18.457 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.840 -17.272 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.570 -18.858 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.504 -18.185 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.717 -19.546 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.011 -18.009 -14.133 1.00 0.00 H new ATOM 524 N ALA A 37 1.340 -15.743 -8.109 1.00 0.00 N ATOM 525 CA ALA A 37 2.140 -14.536 -8.277 1.00 0.00 C ATOM 526 C ALA A 37 2.998 -14.271 -7.045 1.00 0.00 C ATOM 527 O ALA A 37 4.150 -13.852 -7.157 1.00 0.00 O ATOM 528 CB ALA A 37 1.240 -13.343 -8.563 1.00 0.00 C ATOM 0 H ALA A 37 0.334 -15.580 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 37 2.807 -14.686 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.850 -12.448 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.674 -13.525 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.550 -13.200 -7.731 1.00 0.00 H new ATOM 534 N TYR A 38 2.430 -14.518 -5.870 1.00 0.00 N ATOM 535 CA TYR A 38 3.143 -14.302 -4.616 1.00 0.00 C ATOM 536 C TYR A 38 4.367 -15.208 -4.523 1.00 0.00 C ATOM 537 O TYR A 38 5.496 -14.735 -4.392 1.00 0.00 O ATOM 538 CB TYR A 38 2.214 -14.557 -3.427 1.00 0.00 C ATOM 539 CG TYR A 38 2.940 -14.999 -2.176 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.682 -14.098 -1.424 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.882 -16.320 -1.747 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.347 -14.498 -0.281 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.543 -16.728 -0.604 1.00 0.00 C ATOM 544 CZ TYR A 38 4.274 -15.814 0.125 1.00 0.00 C ATOM 545 OH TYR A 38 4.934 -16.216 1.263 1.00 0.00 O ATOM 0 H TYR A 38 1.478 -14.868 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 38 3.478 -13.265 -4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.656 -13.646 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.485 -15.319 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.740 -13.066 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.311 -17.039 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.921 -13.784 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.487 -17.758 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 38 4.780 -17.173 1.410 1.00 0.00 H new ATOM 555 N LYS A 39 4.135 -16.514 -4.591 1.00 0.00 N ATOM 556 CA LYS A 39 5.217 -17.489 -4.517 1.00 0.00 C ATOM 557 C LYS A 39 6.392 -17.065 -5.391 1.00 0.00 C ATOM 558 O LYS A 39 7.506 -16.875 -4.902 1.00 0.00 O ATOM 559 CB LYS A 39 4.717 -18.869 -4.950 1.00 0.00 C ATOM 560 CG LYS A 39 4.170 -19.705 -3.805 1.00 0.00 C ATOM 561 CD LYS A 39 2.690 -19.441 -3.581 1.00 0.00 C ATOM 562 CE LYS A 39 2.277 -19.765 -2.154 1.00 0.00 C ATOM 563 NZ LYS A 39 2.285 -21.231 -1.892 1.00 0.00 N ATOM 0 H LYS A 39 3.206 -16.922 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 39 5.557 -17.540 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.938 -18.744 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.535 -19.410 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.324 -20.763 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.723 -19.481 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.469 -18.396 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.103 -20.041 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.954 -19.268 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.279 -19.368 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.870 -21.419 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.727 -21.717 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.264 -21.582 -1.913 1.00 0.00 H new ATOM 577 N LYS A 40 6.137 -16.916 -6.686 1.00 0.00 N ATOM 578 CA LYS A 40 7.173 -16.511 -7.629 1.00 0.00 C ATOM 579 C LYS A 40 8.036 -15.397 -7.045 1.00 0.00 C ATOM 580 O LYS A 40 9.263 -15.494 -7.026 1.00 0.00 O ATOM 581 CB LYS A 40 6.541 -16.045 -8.943 1.00 0.00 C ATOM 582 CG LYS A 40 7.558 -15.681 -10.011 1.00 0.00 C ATOM 583 CD LYS A 40 6.897 -15.020 -11.209 1.00 0.00 C ATOM 584 CE LYS A 40 7.724 -15.200 -12.473 1.00 0.00 C ATOM 585 NZ LYS A 40 7.457 -16.511 -13.127 1.00 0.00 N ATOM 0 H LYS A 40 5.221 -17.070 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 40 7.809 -17.374 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.892 -16.834 -9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.908 -15.180 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.305 -15.008 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.084 -16.579 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.905 -15.445 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.761 -13.957 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.501 -14.393 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.783 -15.125 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.039 -16.596 -13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.694 -17.281 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.451 -16.572 -13.384 1.00 0.00 H new ATOM 599 N LEU A 41 7.386 -14.341 -6.567 1.00 0.00 N ATOM 600 CA LEU A 41 8.095 -13.209 -5.979 1.00 0.00 C ATOM 601 C LEU A 41 8.914 -13.647 -4.770 1.00 0.00 C ATOM 602 O LEU A 41 10.128 -13.450 -4.725 1.00 0.00 O ATOM 603 CB LEU A 41 7.103 -12.119 -5.570 1.00 0.00 C ATOM 604 CG LEU A 41 6.785 -11.067 -6.633 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.554 -10.265 -6.239 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.978 -10.147 -6.847 1.00 0.00 C ATOM 0 H LEU A 41 6.371 -14.245 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 41 8.777 -12.809 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.171 -12.598 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.496 -11.610 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 41 6.574 -11.579 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.343 -9.521 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.700 -10.935 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.736 -9.763 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.733 -9.405 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.221 -9.642 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.836 -10.734 -7.176 1.00 0.00 H new ATOM 618 N ALA A 42 8.242 -14.246 -3.792 1.00 0.00 N ATOM 619 CA ALA A 42 8.908 -14.716 -2.584 1.00 0.00 C ATOM 620 C ALA A 42 10.154 -15.526 -2.924 1.00 0.00 C ATOM 621 O ALA A 42 11.191 -15.390 -2.274 1.00 0.00 O ATOM 622 CB ALA A 42 7.950 -15.546 -1.742 1.00 0.00 C ATOM 0 H ALA A 42 7.237 -14.417 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 42 9.219 -13.845 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.461 -15.891 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.091 -14.936 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.611 -16.406 -2.319 1.00 0.00 H new ATOM 628 N ARG A 43 10.046 -16.369 -3.946 1.00 0.00 N ATOM 629 CA ARG A 43 11.164 -17.202 -4.371 1.00 0.00 C ATOM 630 C ARG A 43 12.331 -16.343 -4.850 1.00 0.00 C ATOM 631 O ARG A 43 13.483 -16.591 -4.494 1.00 0.00 O ATOM 632 CB ARG A 43 10.725 -18.152 -5.487 1.00 0.00 C ATOM 633 CG ARG A 43 10.173 -19.474 -4.979 1.00 0.00 C ATOM 634 CD ARG A 43 9.575 -20.298 -6.109 1.00 0.00 C ATOM 635 NE ARG A 43 9.527 -21.721 -5.782 1.00 0.00 N ATOM 636 CZ ARG A 43 8.540 -22.284 -5.095 1.00 0.00 C ATOM 637 NH1 ARG A 43 7.524 -21.550 -4.664 1.00 0.00 N ATOM 638 NH2 ARG A 43 8.568 -23.586 -4.837 1.00 0.00 N ATOM 0 H ARG A 43 9.195 -16.493 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 43 11.494 -17.788 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.965 -17.660 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.575 -18.350 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.969 -20.040 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.412 -19.285 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.568 -19.941 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.165 -20.154 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 43 10.294 -22.315 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.499 -20.549 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.768 -21.986 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.348 -24.155 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.809 -24.018 -4.309 1.00 0.00 H new ATOM 652 N GLU A 44 12.024 -15.334 -5.658 1.00 0.00 N ATOM 653 CA GLU A 44 13.048 -14.440 -6.186 1.00 0.00 C ATOM 654 C GLU A 44 13.641 -13.576 -5.076 1.00 0.00 C ATOM 655 O GLU A 44 14.849 -13.595 -4.840 1.00 0.00 O ATOM 656 CB GLU A 44 12.462 -13.548 -7.283 1.00 0.00 C ATOM 657 CG GLU A 44 12.535 -14.162 -8.671 1.00 0.00 C ATOM 658 CD GLU A 44 13.909 -14.022 -9.298 1.00 0.00 C ATOM 659 OE1 GLU A 44 14.511 -12.936 -9.169 1.00 0.00 O ATOM 660 OE2 GLU A 44 14.380 -14.998 -9.918 1.00 0.00 O ATOM 0 H GLU A 44 11.075 -15.115 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 44 13.844 -15.052 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.421 -13.331 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.993 -12.596 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.273 -15.218 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.795 -13.686 -9.315 1.00 0.00 H new ATOM 667 N TRP A 45 12.783 -12.822 -4.400 1.00 0.00 N ATOM 668 CA TRP A 45 13.222 -11.951 -3.315 1.00 0.00 C ATOM 669 C TRP A 45 13.483 -12.753 -2.045 1.00 0.00 C ATOM 670 O TRP A 45 13.711 -12.185 -0.976 1.00 0.00 O ATOM 671 CB TRP A 45 12.173 -10.871 -3.044 1.00 0.00 C ATOM 672 CG TRP A 45 11.887 -10.009 -4.237 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.924 -10.212 -5.183 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.572 -8.808 -4.609 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.969 -9.210 -6.123 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.970 -8.336 -5.793 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.632 -8.084 -4.058 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.397 -7.175 -6.432 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.055 -6.932 -4.694 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.438 -6.486 -5.870 1.00 0.00 C ATOM 0 H TRP A 45 11.780 -12.795 -4.583 1.00 0.00 H new ATOM 0 HA TRP A 45 14.154 -11.474 -3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.248 -11.347 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.514 -10.241 -2.223 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.229 -11.038 -5.192 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.356 -9.130 -6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.113 -8.419 -3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.924 -6.830 -7.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.875 -6.366 -4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.790 -5.581 -6.342 1.00 0.00 H new ATOM 691 N HIS A 46 13.449 -14.076 -2.168 1.00 0.00 N ATOM 692 CA HIS A 46 13.684 -14.956 -1.028 1.00 0.00 C ATOM 693 C HIS A 46 14.983 -14.590 -0.318 1.00 0.00 C ATOM 694 O HIS A 46 16.075 -14.695 -0.877 1.00 0.00 O ATOM 695 CB HIS A 46 13.731 -16.414 -1.485 1.00 0.00 C ATOM 696 CG HIS A 46 13.327 -17.388 -0.421 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.309 -17.072 0.921 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.924 -18.677 -0.508 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.913 -18.125 1.614 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.673 -19.112 0.770 1.00 0.00 N ATOM 0 H HIS A 46 13.261 -14.562 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 46 12.860 -14.830 -0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.075 -16.537 -2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.742 -16.650 -1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.819 -19.256 -1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.804 -18.171 2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.353 -20.046 1.026 1.00 0.00 H new ATOM 708 N PRO A 47 14.866 -14.150 0.943 1.00 0.00 N ATOM 709 CA PRO A 47 16.021 -13.760 1.757 1.00 0.00 C ATOM 710 C PRO A 47 16.883 -14.955 2.150 1.00 0.00 C ATOM 711 O PRO A 47 17.970 -14.792 2.705 1.00 0.00 O ATOM 712 CB PRO A 47 15.384 -13.129 2.998 1.00 0.00 C ATOM 713 CG PRO A 47 14.034 -13.752 3.090 1.00 0.00 C ATOM 714 CD PRO A 47 13.595 -14.001 1.673 1.00 0.00 C ATOM 0 HA PRO A 47 16.692 -13.091 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.975 -13.330 3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.314 -12.046 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.072 -14.683 3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.335 -13.094 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.979 -14.897 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.003 -13.172 1.284 1.00 0.00 H new ATOM 722 N ASP A 48 16.391 -16.154 1.859 1.00 0.00 N ATOM 723 CA ASP A 48 17.118 -17.377 2.182 1.00 0.00 C ATOM 724 C ASP A 48 18.242 -17.621 1.180 1.00 0.00 C ATOM 725 O ASP A 48 19.321 -18.090 1.543 1.00 0.00 O ATOM 726 CB ASP A 48 16.165 -18.573 2.198 1.00 0.00 C ATOM 727 CG ASP A 48 15.231 -18.552 3.393 1.00 0.00 C ATOM 728 OD1 ASP A 48 14.981 -17.454 3.931 1.00 0.00 O ATOM 729 OD2 ASP A 48 14.751 -19.635 3.790 1.00 0.00 O ATOM 0 H ASP A 48 15.493 -16.306 1.400 1.00 0.00 H new ATOM 0 HA ASP A 48 17.557 -17.259 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.577 -18.578 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.745 -19.496 2.210 1.00 0.00 H new ATOM 734 N LYS A 49 17.982 -17.301 -0.083 1.00 0.00 N ATOM 735 CA LYS A 49 18.971 -17.485 -1.139 1.00 0.00 C ATOM 736 C LYS A 49 19.677 -16.171 -1.457 1.00 0.00 C ATOM 737 O LYS A 49 20.821 -16.164 -1.910 1.00 0.00 O ATOM 738 CB LYS A 49 18.304 -18.037 -2.401 1.00 0.00 C ATOM 739 CG LYS A 49 19.260 -18.209 -3.569 1.00 0.00 C ATOM 740 CD LYS A 49 18.666 -19.097 -4.649 1.00 0.00 C ATOM 741 CE LYS A 49 17.614 -18.359 -5.463 1.00 0.00 C ATOM 742 NZ LYS A 49 17.229 -19.114 -6.687 1.00 0.00 N ATOM 0 H LYS A 49 17.094 -16.913 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 49 19.714 -18.200 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.849 -19.000 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.497 -17.367 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.500 -17.233 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.195 -18.642 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.459 -19.447 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.220 -19.980 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.730 -18.191 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.996 -17.378 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.510 -18.578 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.067 -19.253 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.840 -20.040 -6.416 1.00 0.00 H new ATOM 756 N ASN A 50 18.988 -15.060 -1.217 1.00 0.00 N ATOM 757 CA ASN A 50 19.550 -13.740 -1.478 1.00 0.00 C ATOM 758 C ASN A 50 20.605 -13.383 -0.436 1.00 0.00 C ATOM 759 O ASN A 50 20.384 -13.535 0.766 1.00 0.00 O ATOM 760 CB ASN A 50 18.443 -12.683 -1.483 1.00 0.00 C ATOM 761 CG ASN A 50 17.824 -12.501 -2.855 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.438 -12.819 -3.873 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.600 -11.986 -2.887 1.00 0.00 N ATOM 0 H ASN A 50 18.039 -15.048 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 50 20.026 -13.762 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.668 -12.970 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.851 -11.731 -1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.131 -11.840 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.129 -11.737 -2.017 1.00 0.00 H new ATOM 770 N LYS A 51 21.753 -12.906 -0.904 1.00 0.00 N ATOM 771 CA LYS A 51 22.844 -12.524 -0.014 1.00 0.00 C ATOM 772 C LYS A 51 22.957 -11.006 0.087 1.00 0.00 C ATOM 773 O LYS A 51 23.282 -10.468 1.145 1.00 0.00 O ATOM 774 CB LYS A 51 24.165 -13.113 -0.512 1.00 0.00 C ATOM 775 CG LYS A 51 24.362 -14.571 -0.134 1.00 0.00 C ATOM 776 CD LYS A 51 23.805 -15.502 -1.198 1.00 0.00 C ATOM 777 CE LYS A 51 24.544 -16.832 -1.217 1.00 0.00 C ATOM 778 NZ LYS A 51 23.996 -17.786 -0.213 1.00 0.00 N ATOM 0 H LYS A 51 21.953 -12.774 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 51 22.627 -12.921 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.209 -13.019 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.990 -12.527 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.424 -14.771 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.871 -14.771 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.745 -15.676 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.883 -15.027 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.474 -17.272 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.602 -16.662 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.526 -18.680 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 24.086 -17.377 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.993 -17.968 -0.419 1.00 0.00 H new ATOM 792 N ASP A 52 22.687 -10.322 -1.019 1.00 0.00 N ATOM 793 CA ASP A 52 22.756 -8.866 -1.054 1.00 0.00 C ATOM 794 C ASP A 52 21.914 -8.255 0.061 1.00 0.00 C ATOM 795 O ASP A 52 20.793 -8.686 0.333 1.00 0.00 O ATOM 796 CB ASP A 52 22.284 -8.344 -2.412 1.00 0.00 C ATOM 797 CG ASP A 52 23.280 -8.625 -3.519 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.250 -7.850 -3.656 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.091 -9.621 -4.248 1.00 0.00 O ATOM 0 H ASP A 52 22.418 -10.753 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 52 23.795 -8.572 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.328 -8.804 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.113 -7.270 -2.345 1.00 0.00 H new ATOM 804 N PRO A 53 22.464 -7.227 0.723 1.00 0.00 N ATOM 805 CA PRO A 53 21.781 -6.534 1.820 1.00 0.00 C ATOM 806 C PRO A 53 20.591 -5.713 1.335 1.00 0.00 C ATOM 807 O PRO A 53 20.758 -4.717 0.633 1.00 0.00 O ATOM 808 CB PRO A 53 22.866 -5.619 2.392 1.00 0.00 C ATOM 809 CG PRO A 53 23.806 -5.391 1.259 1.00 0.00 C ATOM 810 CD PRO A 53 23.796 -6.660 0.452 1.00 0.00 C ATOM 0 HA PRO A 53 21.366 -7.232 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.444 -4.680 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.371 -6.085 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.490 -4.541 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.809 -5.168 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.940 -6.462 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.592 -7.338 0.760 1.00 0.00 H new ATOM 818 N GLY A 54 19.390 -6.137 1.716 1.00 0.00 N ATOM 819 CA GLY A 54 18.190 -5.428 1.310 1.00 0.00 C ATOM 820 C GLY A 54 17.119 -6.359 0.779 1.00 0.00 C ATOM 821 O GLY A 54 15.935 -6.179 1.062 1.00 0.00 O ATOM 0 H GLY A 54 19.226 -6.958 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.795 -4.872 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.445 -4.698 0.542 1.00 0.00 H new ATOM 825 N ALA A 55 17.534 -7.357 0.005 1.00 0.00 N ATOM 826 CA ALA A 55 16.601 -8.319 -0.567 1.00 0.00 C ATOM 827 C ALA A 55 15.517 -8.697 0.437 1.00 0.00 C ATOM 828 O ALA A 55 14.336 -8.756 0.097 1.00 0.00 O ATOM 829 CB ALA A 55 17.345 -9.561 -1.036 1.00 0.00 C ATOM 0 H ALA A 55 18.511 -7.520 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 55 16.117 -7.852 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.636 -10.271 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.077 -9.282 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.856 -10.021 -0.190 1.00 0.00 H new ATOM 835 N GLU A 56 15.928 -8.953 1.676 1.00 0.00 N ATOM 836 CA GLU A 56 14.991 -9.326 2.728 1.00 0.00 C ATOM 837 C GLU A 56 13.896 -8.274 2.881 1.00 0.00 C ATOM 838 O GLU A 56 12.715 -8.603 2.989 1.00 0.00 O ATOM 839 CB GLU A 56 15.728 -9.508 4.057 1.00 0.00 C ATOM 840 CG GLU A 56 14.889 -10.179 5.132 1.00 0.00 C ATOM 841 CD GLU A 56 15.552 -10.146 6.495 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.503 -10.926 6.710 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.120 -9.341 7.346 1.00 0.00 O ATOM 0 H GLU A 56 16.902 -8.909 1.974 1.00 0.00 H new ATOM 0 HA GLU A 56 14.526 -10.271 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.626 -10.101 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.054 -8.533 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.919 -9.685 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.702 -11.215 4.848 1.00 0.00 H new ATOM 850 N ASP A 57 14.298 -7.008 2.890 1.00 0.00 N ATOM 851 CA ASP A 57 13.353 -5.906 3.029 1.00 0.00 C ATOM 852 C ASP A 57 12.195 -6.057 2.048 1.00 0.00 C ATOM 853 O ASP A 57 11.028 -5.965 2.430 1.00 0.00 O ATOM 854 CB ASP A 57 14.059 -4.569 2.803 1.00 0.00 C ATOM 855 CG ASP A 57 13.167 -3.383 3.114 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.319 -3.501 4.024 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.316 -2.337 2.449 1.00 0.00 O ATOM 0 H ASP A 57 15.272 -6.719 2.803 1.00 0.00 H new ATOM 0 HA ASP A 57 12.952 -5.929 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.951 -4.522 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.392 -4.508 1.767 1.00 0.00 H new ATOM 862 N ARG A 58 12.526 -6.287 0.781 1.00 0.00 N ATOM 863 CA ARG A 58 11.513 -6.448 -0.256 1.00 0.00 C ATOM 864 C ARG A 58 10.642 -7.670 0.020 1.00 0.00 C ATOM 865 O ARG A 58 9.418 -7.612 -0.100 1.00 0.00 O ATOM 866 CB ARG A 58 12.175 -6.579 -1.628 1.00 0.00 C ATOM 867 CG ARG A 58 11.226 -6.330 -2.789 1.00 0.00 C ATOM 868 CD ARG A 58 11.024 -4.843 -3.034 1.00 0.00 C ATOM 869 NE ARG A 58 10.028 -4.590 -4.071 1.00 0.00 N ATOM 870 CZ ARG A 58 8.725 -4.790 -3.904 1.00 0.00 C ATOM 871 NH1 ARG A 58 8.264 -5.243 -2.747 1.00 0.00 N ATOM 872 NH2 ARG A 58 7.881 -4.536 -4.896 1.00 0.00 N ATOM 0 H ARG A 58 13.487 -6.366 0.448 1.00 0.00 H new ATOM 0 HA ARG A 58 10.878 -5.562 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.004 -5.875 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.598 -7.579 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.622 -6.798 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.264 -6.800 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.712 -4.362 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.973 -4.391 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 58 10.350 -4.240 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.910 -5.439 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.263 -5.396 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.232 -4.187 -5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.881 -4.690 -4.767 1.00 0.00 H new ATOM 886 N PHE A 59 11.281 -8.775 0.389 1.00 0.00 N ATOM 887 CA PHE A 59 10.565 -10.011 0.680 1.00 0.00 C ATOM 888 C PHE A 59 9.471 -9.775 1.718 1.00 0.00 C ATOM 889 O PHE A 59 8.356 -10.278 1.586 1.00 0.00 O ATOM 890 CB PHE A 59 11.536 -11.082 1.181 1.00 0.00 C ATOM 891 CG PHE A 59 10.854 -12.255 1.825 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.244 -13.229 1.051 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.824 -12.384 3.204 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.616 -14.310 1.641 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.198 -13.463 3.799 1.00 0.00 C ATOM 896 CZ PHE A 59 9.592 -14.427 3.017 1.00 0.00 C ATOM 0 H PHE A 59 12.294 -8.840 0.494 1.00 0.00 H new ATOM 0 HA PHE A 59 10.098 -10.356 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.137 -11.436 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.222 -10.632 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.259 -13.143 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.295 -11.633 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.144 -15.063 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.183 -13.552 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.101 -15.270 3.480 1.00 0.00 H new ATOM 906 N ILE A 60 9.801 -9.006 2.751 1.00 0.00 N ATOM 907 CA ILE A 60 8.848 -8.702 3.811 1.00 0.00 C ATOM 908 C ILE A 60 7.585 -8.058 3.248 1.00 0.00 C ATOM 909 O ILE A 60 6.472 -8.417 3.628 1.00 0.00 O ATOM 910 CB ILE A 60 9.461 -7.765 4.868 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.711 -8.400 5.480 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.439 -7.446 5.949 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.591 -7.414 6.216 1.00 0.00 C ATOM 0 H ILE A 60 10.721 -8.583 2.876 1.00 0.00 H new ATOM 0 HA ILE A 60 8.590 -9.650 4.284 1.00 0.00 H new ATOM 0 HB ILE A 60 9.750 -6.833 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.408 -9.189 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.292 -8.874 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.887 -6.783 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.575 -6.957 5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.122 -8.369 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.458 -7.934 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.924 -6.638 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.026 -6.958 7.029 1.00 0.00 H new ATOM 925 N GLN A 61 7.769 -7.106 2.339 1.00 0.00 N ATOM 926 CA GLN A 61 6.644 -6.412 1.722 1.00 0.00 C ATOM 927 C GLN A 61 5.771 -7.384 0.934 1.00 0.00 C ATOM 928 O GLN A 61 4.555 -7.430 1.119 1.00 0.00 O ATOM 929 CB GLN A 61 7.147 -5.299 0.802 1.00 0.00 C ATOM 930 CG GLN A 61 7.315 -3.960 1.502 1.00 0.00 C ATOM 931 CD GLN A 61 7.567 -2.822 0.533 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.712 -2.530 0.185 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.497 -2.172 0.091 1.00 0.00 N ATOM 0 H GLN A 61 8.685 -6.798 2.014 1.00 0.00 H new ATOM 0 HA GLN A 61 6.041 -5.972 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.104 -5.598 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.449 -5.181 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.419 -3.744 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.145 -4.024 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.567 -2.448 0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.605 -1.397 -0.563 1.00 0.00 H new ATOM 942 N ILE A 62 6.400 -8.157 0.055 1.00 0.00 N ATOM 943 CA ILE A 62 5.680 -9.128 -0.760 1.00 0.00 C ATOM 944 C ILE A 62 4.786 -10.013 0.101 1.00 0.00 C ATOM 945 O ILE A 62 3.594 -10.158 -0.169 1.00 0.00 O ATOM 946 CB ILE A 62 6.648 -10.019 -1.560 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.533 -9.163 -2.468 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.874 -11.042 -2.377 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.888 -9.775 -2.743 1.00 0.00 C ATOM 0 H ILE A 62 7.406 -8.130 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 62 5.063 -8.560 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 62 7.289 -10.553 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.018 -9.000 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.672 -8.184 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.572 -11.664 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.284 -11.670 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.210 -10.526 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.461 -9.114 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.423 -9.912 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.759 -10.741 -3.231 1.00 0.00 H new ATOM 961 N SER A 63 5.369 -10.601 1.141 1.00 0.00 N ATOM 962 CA SER A 63 4.625 -11.474 2.042 1.00 0.00 C ATOM 963 C SER A 63 3.459 -10.727 2.682 1.00 0.00 C ATOM 964 O SER A 63 2.338 -11.233 2.739 1.00 0.00 O ATOM 965 CB SER A 63 5.549 -12.027 3.128 1.00 0.00 C ATOM 966 OG SER A 63 4.952 -13.127 3.793 1.00 0.00 O ATOM 0 H SER A 63 6.354 -10.489 1.381 1.00 0.00 H new ATOM 0 HA SER A 63 4.226 -12.303 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.494 -12.337 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.778 -11.243 3.849 1.00 0.00 H new ATOM 0 HG SER A 63 5.563 -13.464 4.481 1.00 0.00 H new ATOM 972 N LYS A 64 3.731 -9.518 3.163 1.00 0.00 N ATOM 973 CA LYS A 64 2.706 -8.698 3.798 1.00 0.00 C ATOM 974 C LYS A 64 1.564 -8.407 2.830 1.00 0.00 C ATOM 975 O LYS A 64 0.394 -8.433 3.210 1.00 0.00 O ATOM 976 CB LYS A 64 3.312 -7.385 4.299 1.00 0.00 C ATOM 977 CG LYS A 64 4.128 -7.538 5.571 1.00 0.00 C ATOM 978 CD LYS A 64 3.251 -7.913 6.754 1.00 0.00 C ATOM 979 CE LYS A 64 3.987 -7.733 8.073 1.00 0.00 C ATOM 980 NZ LYS A 64 3.149 -8.138 9.235 1.00 0.00 N ATOM 0 H LYS A 64 4.653 -9.084 3.125 1.00 0.00 H new ATOM 0 HA LYS A 64 2.306 -9.253 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.947 -6.966 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.510 -6.668 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.891 -8.303 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.649 -6.605 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.352 -7.297 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.928 -8.949 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.903 -8.324 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.283 -6.690 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.686 -8.000 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.287 -7.557 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.888 -9.140 9.142 1.00 0.00 H new ATOM 994 N ALA A 65 1.913 -8.131 1.577 1.00 0.00 N ATOM 995 CA ALA A 65 0.916 -7.839 0.554 1.00 0.00 C ATOM 996 C ALA A 65 -0.051 -9.005 0.381 1.00 0.00 C ATOM 997 O ALA A 65 -1.268 -8.826 0.421 1.00 0.00 O ATOM 998 CB ALA A 65 1.597 -7.514 -0.767 1.00 0.00 C ATOM 0 H ALA A 65 2.878 -8.104 1.247 1.00 0.00 H new ATOM 0 HA ALA A 65 0.342 -6.971 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.841 -7.298 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.242 -6.645 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.196 -8.366 -1.087 1.00 0.00 H new ATOM 1004 N TYR A 66 0.498 -10.199 0.187 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.316 -11.394 0.003 1.00 0.00 C ATOM 1006 C TYR A 66 -1.090 -11.727 1.276 1.00 0.00 C ATOM 1007 O TYR A 66 -2.277 -12.045 1.227 1.00 0.00 O ATOM 1008 CB TYR A 66 0.563 -12.580 -0.397 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.222 -13.813 -0.784 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.355 -13.717 -1.582 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.168 -15.074 -0.349 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.076 -14.840 -1.938 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.546 -16.203 -0.701 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.667 -16.081 -1.495 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.382 -17.203 -1.846 1.00 0.00 O ATOM 0 H TYR A 66 1.504 -10.365 0.153 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.031 -11.196 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.197 -12.286 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.225 -12.827 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.678 -12.747 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.044 -15.173 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.955 -14.747 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.228 -17.176 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.259 -16.937 -2.194 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.406 -11.650 2.413 1.00 0.00 N ATOM 1026 CA GLU A 67 -1.028 -11.943 3.699 1.00 0.00 C ATOM 1027 C GLU A 67 -2.458 -11.412 3.745 1.00 0.00 C ATOM 1028 O GLU A 67 -3.381 -12.118 4.152 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.209 -11.333 4.838 1.00 0.00 C ATOM 1030 CG GLU A 67 0.910 -12.234 5.333 1.00 0.00 C ATOM 1031 CD GLU A 67 1.445 -11.809 6.687 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.663 -11.814 7.661 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.644 -11.472 6.773 1.00 0.00 O ATOM 0 H GLU A 67 0.578 -11.387 2.470 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.056 -13.026 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.218 -10.388 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.874 -11.103 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.545 -13.259 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.723 -12.229 4.607 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.632 -10.163 3.326 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.949 -9.537 3.319 1.00 0.00 C ATOM 1042 C ILE A 68 -4.924 -10.318 2.446 1.00 0.00 C ATOM 1043 O ILE A 68 -5.932 -10.835 2.930 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.878 -8.083 2.816 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.951 -7.256 3.709 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.269 -7.469 2.774 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.460 -5.983 3.056 1.00 0.00 C ATOM 0 H ILE A 68 -1.878 -9.565 2.987 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.305 -9.540 4.349 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.472 -8.083 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.477 -7.003 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.092 -7.865 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.202 -6.441 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.902 -8.047 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.701 -7.478 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.808 -5.448 3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.905 -6.229 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.312 -5.353 2.800 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.618 -10.402 1.156 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.467 -11.123 0.213 1.00 0.00 C ATOM 1061 C LEU A 69 -5.571 -12.597 0.591 1.00 0.00 C ATOM 1062 O LEU A 69 -6.650 -13.090 0.917 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.916 -10.986 -1.207 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.610 -9.562 -1.674 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.619 -9.580 -2.828 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.891 -8.847 -2.080 1.00 0.00 C ATOM 0 H LEU A 69 -3.788 -9.980 0.739 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.465 -10.686 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.002 -11.575 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.634 -11.427 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.160 -9.017 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.413 -8.558 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.692 -10.053 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.041 -10.142 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.654 -7.835 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.369 -9.391 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.568 -8.802 -1.227 1.00 0.00 H new ATOM 1078 N SER A 70 -4.440 -13.295 0.546 1.00 0.00 N ATOM 1079 CA SER A 70 -4.404 -14.713 0.882 1.00 0.00 C ATOM 1080 C SER A 70 -5.354 -15.023 2.035 1.00 0.00 C ATOM 1081 O SER A 70 -6.156 -15.952 1.960 1.00 0.00 O ATOM 1082 CB SER A 70 -2.980 -15.135 1.252 1.00 0.00 C ATOM 1083 OG SER A 70 -2.885 -16.543 1.387 1.00 0.00 O ATOM 0 H SER A 70 -3.537 -12.901 0.280 1.00 0.00 H new ATOM 0 HA SER A 70 -4.727 -15.277 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.285 -14.792 0.486 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.686 -14.656 2.186 1.00 0.00 H new ATOM 0 HG SER A 70 -2.269 -16.896 0.711 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.256 -14.237 3.102 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.105 -14.426 4.272 1.00 0.00 C ATOM 1091 C ASN A 71 -7.509 -13.886 4.018 1.00 0.00 C ATOM 1092 O ASN A 71 -7.678 -12.740 3.603 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.492 -13.733 5.491 1.00 0.00 C ATOM 1094 CG ASN A 71 -5.854 -14.424 6.791 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -5.151 -15.329 7.242 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.955 -14.000 7.400 1.00 0.00 N ATOM 0 H ASN A 71 -4.597 -13.463 3.180 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.176 -15.496 4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.407 -13.709 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.831 -12.698 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.249 -14.427 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.507 -13.247 6.990 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.513 -14.720 4.271 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.902 -14.325 4.070 1.00 0.00 C ATOM 1105 C GLU A 72 -10.270 -13.150 4.971 1.00 0.00 C ATOM 1106 O GLU A 72 -10.863 -12.171 4.519 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.836 -15.506 4.346 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.303 -15.190 4.106 1.00 0.00 C ATOM 1109 CD GLU A 72 -13.137 -16.436 3.877 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.537 -17.072 4.874 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.390 -16.774 2.702 1.00 0.00 O ATOM 0 H GLU A 72 -8.390 -15.672 4.615 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.018 -14.014 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.545 -16.344 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.706 -15.827 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.699 -14.645 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.393 -14.533 3.241 1.00 0.00 H new ATOM 1118 N GLU A 73 -9.914 -13.256 6.247 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.208 -12.202 7.211 1.00 0.00 C ATOM 1120 C GLU A 73 -9.709 -10.850 6.709 1.00 0.00 C ATOM 1121 O GLU A 73 -10.491 -9.921 6.511 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.568 -12.525 8.563 1.00 0.00 C ATOM 1123 CG GLU A 73 -9.977 -11.571 9.673 1.00 0.00 C ATOM 1124 CD GLU A 73 -9.913 -12.212 11.046 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.197 -13.224 11.196 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.580 -11.701 11.970 1.00 0.00 O ATOM 0 H GLU A 73 -9.422 -14.060 6.637 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.290 -12.147 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.839 -13.541 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.483 -12.502 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.326 -10.697 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.991 -11.218 9.488 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.400 -10.748 6.507 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.793 -9.511 6.028 1.00 0.00 C ATOM 1135 C LYS A 74 -8.428 -9.068 4.714 1.00 0.00 C ATOM 1136 O LYS A 74 -8.898 -7.936 4.592 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.286 -9.697 5.841 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.540 -9.961 7.138 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.174 -10.573 6.881 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.440 -10.865 8.181 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.728 -9.663 8.697 1.00 0.00 N ATOM 0 H LYS A 74 -7.738 -11.507 6.668 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.967 -8.737 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.113 -10.528 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.874 -8.805 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.424 -9.027 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.127 -10.630 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.289 -11.495 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.579 -9.894 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.151 -11.215 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.724 -11.671 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.240 -9.902 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.031 -9.344 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.415 -8.902 8.874 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.440 -9.966 3.735 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.018 -9.666 2.430 1.00 0.00 C ATOM 1157 C ARG A 75 -10.384 -9.002 2.580 1.00 0.00 C ATOM 1158 O ARG A 75 -10.606 -7.896 2.086 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.150 -10.945 1.601 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.203 -10.697 0.103 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.162 -12.000 -0.680 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.576 -11.818 -2.069 1.00 0.00 N ATOM 1163 CZ ARG A 75 -9.915 -12.820 -2.872 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -9.890 -14.069 -2.427 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -10.281 -12.574 -4.124 1.00 0.00 N ATOM 0 H ARG A 75 -8.056 -10.907 3.820 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.351 -8.974 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.307 -11.600 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.053 -11.474 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.114 -10.151 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.364 -10.067 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.151 -12.407 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.813 -12.731 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.606 -10.869 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.610 -14.262 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.151 -14.836 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.302 -11.615 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.541 -13.344 -4.740 1.00 0.00 H new ATOM 1179 N THR A 76 -11.296 -9.684 3.264 1.00 0.00 N ATOM 1180 CA THR A 76 -12.640 -9.162 3.478 1.00 0.00 C ATOM 1181 C THR A 76 -12.599 -7.805 4.172 1.00 0.00 C ATOM 1182 O THR A 76 -13.308 -6.878 3.785 1.00 0.00 O ATOM 1183 CB THR A 76 -13.492 -10.131 4.320 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.444 -11.445 3.753 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.936 -9.657 4.393 1.00 0.00 C ATOM 0 H THR A 76 -11.129 -10.600 3.680 1.00 0.00 H new ATOM 0 HA THR A 76 -13.096 -9.050 2.494 1.00 0.00 H new ATOM 0 HB THR A 76 -13.083 -10.157 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.596 -11.874 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.519 -10.357 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.972 -8.669 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.353 -9.606 3.387 1.00 0.00 H new ATOM 1193 N ASN A 77 -11.762 -7.696 5.199 1.00 0.00 N ATOM 1194 CA ASN A 77 -11.628 -6.452 5.947 1.00 0.00 C ATOM 1195 C ASN A 77 -11.354 -5.280 5.009 1.00 0.00 C ATOM 1196 O ASN A 77 -11.919 -4.198 5.168 1.00 0.00 O ATOM 1197 CB ASN A 77 -10.503 -6.569 6.976 1.00 0.00 C ATOM 1198 CG ASN A 77 -9.831 -5.238 7.254 1.00 0.00 C ATOM 1199 OD1 ASN A 77 -10.471 -4.187 7.214 1.00 0.00 O ATOM 1200 ND2 ASN A 77 -8.534 -5.278 7.536 1.00 0.00 N ATOM 0 H ASN A 77 -11.167 -8.454 5.532 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.568 -6.267 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.906 -6.971 7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.759 -7.280 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.028 -4.414 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.044 -6.172 7.558 1.00 0.00 H new ATOM 1207 N TYR A 78 -10.484 -5.504 4.030 1.00 0.00 N ATOM 1208 CA TYR A 78 -10.133 -4.467 3.067 1.00 0.00 C ATOM 1209 C TYR A 78 -11.384 -3.798 2.507 1.00 0.00 C ATOM 1210 O TYR A 78 -11.586 -2.595 2.675 1.00 0.00 O ATOM 1211 CB TYR A 78 -9.304 -5.060 1.927 1.00 0.00 C ATOM 1212 CG TYR A 78 -8.329 -4.081 1.314 1.00 0.00 C ATOM 1213 CD1 TYR A 78 -8.732 -2.799 0.959 1.00 0.00 C ATOM 1214 CD2 TYR A 78 -7.005 -4.437 1.089 1.00 0.00 C ATOM 1215 CE1 TYR A 78 -7.845 -1.901 0.398 1.00 0.00 C ATOM 1216 CE2 TYR A 78 -6.110 -3.545 0.530 1.00 0.00 C ATOM 1217 CZ TYR A 78 -6.535 -2.279 0.186 1.00 0.00 C ATOM 1218 OH TYR A 78 -5.647 -1.388 -0.372 1.00 0.00 O ATOM 0 H TYR A 78 -10.009 -6.395 3.883 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.540 -3.712 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.753 -5.923 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.977 -5.424 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.756 -2.500 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.669 -5.428 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.175 -0.909 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.084 -3.838 0.363 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.601 -1.534 -1.340 1.00 0.00 H new ATOM 1228 N ASP A 79 -12.221 -4.586 1.842 1.00 0.00 N ATOM 1229 CA ASP A 79 -13.455 -4.072 1.258 1.00 0.00 C ATOM 1230 C ASP A 79 -14.379 -3.521 2.339 1.00 0.00 C ATOM 1231 O ASP A 79 -14.971 -2.453 2.179 1.00 0.00 O ATOM 1232 CB ASP A 79 -14.168 -5.172 0.471 1.00 0.00 C ATOM 1233 CG ASP A 79 -15.436 -4.676 -0.197 1.00 0.00 C ATOM 1234 OD1 ASP A 79 -16.464 -4.548 0.500 1.00 0.00 O ATOM 1235 OD2 ASP A 79 -15.399 -4.416 -1.418 1.00 0.00 O ATOM 0 H ASP A 79 -12.068 -5.583 1.694 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.196 -3.260 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.493 -5.569 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.412 -5.995 1.142 1.00 0.00 H new ATOM 1240 N HIS A 80 -14.500 -4.257 3.439 1.00 0.00 N ATOM 1241 CA HIS A 80 -15.354 -3.842 4.547 1.00 0.00 C ATOM 1242 C HIS A 80 -14.978 -2.444 5.028 1.00 0.00 C ATOM 1243 O HIS A 80 -15.822 -1.702 5.531 1.00 0.00 O ATOM 1244 CB HIS A 80 -15.246 -4.838 5.702 1.00 0.00 C ATOM 1245 CG HIS A 80 -16.238 -5.956 5.624 1.00 0.00 C ATOM 1246 ND1 HIS A 80 -17.548 -5.774 5.234 1.00 0.00 N ATOM 1247 CD2 HIS A 80 -16.105 -7.278 5.885 1.00 0.00 C ATOM 1248 CE1 HIS A 80 -18.179 -6.935 5.262 1.00 0.00 C ATOM 1249 NE2 HIS A 80 -17.325 -7.864 5.653 1.00 0.00 N ATOM 0 H HIS A 80 -14.018 -5.144 3.587 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.384 -3.820 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.240 -5.257 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.384 -4.306 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.206 -7.778 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.216 -7.097 5.008 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.537 -8.855 5.764 1.00 0.00 H new ATOM 1257 N TYR A 81 -13.707 -2.091 4.870 1.00 0.00 N ATOM 1258 CA TYR A 81 -13.219 -0.783 5.291 1.00 0.00 C ATOM 1259 C TYR A 81 -13.751 0.317 4.377 1.00 0.00 C ATOM 1260 O TYR A 81 -13.807 1.485 4.760 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.690 -0.763 5.295 1.00 0.00 C ATOM 1262 CG TYR A 81 -11.099 0.175 6.324 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -11.213 1.552 6.185 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -10.428 -0.318 7.436 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.674 2.412 7.122 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -9.887 0.534 8.380 1.00 0.00 C ATOM 1267 CZ TYR A 81 -10.013 1.898 8.218 1.00 0.00 C ATOM 1268 OH TYR A 81 -9.475 2.751 9.155 1.00 0.00 O ATOM 0 H TYR A 81 -12.996 -2.692 4.453 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.581 -0.597 6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.322 -1.772 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.336 -0.473 4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.732 1.958 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.327 -1.386 7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.770 3.480 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.369 0.134 9.239 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.045 2.229 9.864 1.00 0.00 H new ATOM 1278 N GLY A 82 -14.143 -0.066 3.166 1.00 0.00 N ATOM 1279 CA GLY A 82 -14.666 0.897 2.216 1.00 0.00 C ATOM 1280 C GLY A 82 -13.569 1.653 1.492 1.00 0.00 C ATOM 1281 O GLY A 82 -13.690 2.853 1.247 1.00 0.00 O ATOM 0 H GLY A 82 -14.107 -1.027 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.290 0.381 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.308 1.606 2.739 1.00 0.00 H new ATOM 1285 N SER A 83 -12.494 0.949 1.151 1.00 0.00 N ATOM 1286 CA SER A 83 -11.368 1.562 0.456 1.00 0.00 C ATOM 1287 C SER A 83 -11.538 1.452 -1.056 1.00 0.00 C ATOM 1288 O SER A 83 -11.892 0.396 -1.577 1.00 0.00 O ATOM 1289 CB SER A 83 -10.057 0.901 0.884 1.00 0.00 C ATOM 1290 OG SER A 83 -8.941 1.683 0.496 1.00 0.00 O ATOM 0 H SER A 83 -12.379 -0.046 1.345 1.00 0.00 H new ATOM 0 HA SER A 83 -11.338 2.618 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.051 0.765 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.983 -0.090 0.437 1.00 0.00 H new ATOM 0 HG SER A 83 -8.115 1.240 0.783 1.00 0.00 H new ATOM 1296 N GLY A 84 -11.281 2.553 -1.756 1.00 0.00 N ATOM 1297 CA GLY A 84 -11.411 2.561 -3.201 1.00 0.00 C ATOM 1298 C GLY A 84 -12.325 3.664 -3.696 1.00 0.00 C ATOM 1299 O GLY A 84 -12.664 4.594 -2.963 1.00 0.00 O ATOM 0 H GLY A 84 -10.985 3.440 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.425 2.681 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.797 1.597 -3.533 1.00 0.00 H new ATOM 1303 N PRO A 85 -12.737 3.570 -4.968 1.00 0.00 N ATOM 1304 CA PRO A 85 -13.622 4.561 -5.589 1.00 0.00 C ATOM 1305 C PRO A 85 -15.037 4.509 -5.024 1.00 0.00 C ATOM 1306 O PRO A 85 -15.618 5.539 -4.683 1.00 0.00 O ATOM 1307 CB PRO A 85 -13.621 4.160 -7.067 1.00 0.00 C ATOM 1308 CG PRO A 85 -13.298 2.706 -7.065 1.00 0.00 C ATOM 1309 CD PRO A 85 -12.372 2.489 -5.899 1.00 0.00 C ATOM 0 HA PRO A 85 -13.282 5.581 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -14.590 4.350 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.882 4.729 -7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.202 2.106 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.823 2.410 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.515 1.506 -5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.326 2.553 -6.199 1.00 0.00 H new ATOM 1317 N SER A 86 -15.587 3.302 -4.926 1.00 0.00 N ATOM 1318 CA SER A 86 -16.936 3.117 -4.404 1.00 0.00 C ATOM 1319 C SER A 86 -17.009 3.516 -2.934 1.00 0.00 C ATOM 1320 O SER A 86 -16.142 3.156 -2.137 1.00 0.00 O ATOM 1321 CB SER A 86 -17.374 1.661 -4.572 1.00 0.00 C ATOM 1322 OG SER A 86 -16.493 0.782 -3.895 1.00 0.00 O ATOM 0 H SER A 86 -15.119 2.438 -5.201 1.00 0.00 H new ATOM 0 HA SER A 86 -17.610 3.760 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 -18.386 1.535 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.403 1.407 -5.632 1.00 0.00 H new ATOM 0 HG SER A 86 -16.796 -0.142 -4.016 1.00 0.00 H new ATOM 1328 N SER A 87 -18.051 4.263 -2.581 1.00 0.00 N ATOM 1329 CA SER A 87 -18.237 4.715 -1.207 1.00 0.00 C ATOM 1330 C SER A 87 -18.870 3.619 -0.355 1.00 0.00 C ATOM 1331 O SER A 87 -18.271 3.141 0.607 1.00 0.00 O ATOM 1332 CB SER A 87 -19.111 5.970 -1.175 1.00 0.00 C ATOM 1333 OG SER A 87 -18.526 7.019 -1.927 1.00 0.00 O ATOM 0 H SER A 87 -18.779 4.568 -3.227 1.00 0.00 H new ATOM 0 HA SER A 87 -17.257 4.952 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 87 -20.099 5.739 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 87 -19.252 6.293 -0.143 1.00 0.00 H new ATOM 0 HG SER A 87 -19.105 7.809 -1.892 1.00 0.00 H new ATOM 1339 N GLY A 88 -20.087 3.225 -0.718 1.00 0.00 N ATOM 1340 CA GLY A 88 -20.783 2.188 0.023 1.00 0.00 C ATOM 1341 C GLY A 88 -22.210 1.997 -0.449 1.00 0.00 C ATOM 1342 O GLY A 88 -23.129 2.642 0.056 1.00 0.00 O ATOM 0 H GLY A 88 -20.603 3.605 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -20.241 1.248 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.785 2.442 1.083 1.00 0.00 H new TER 1346 GLY A 88