USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 34 SER OG : rot 180:sc= 0.0309 USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 171:sc=-0.000916 (180deg=-0.0893) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.7!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.12 F(o=-0.64,f=-0.12) USER MOD Single : A 15 GLN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0451 F(o=-1.7!,f=-0.045) USER MOD Single : A 24 SER OG : rot 180:sc= -1.14 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2 K(o=-2,f=-9.2!) USER MOD Single : A 31 SER OG : rot 82:sc= 0.337 USER MOD Single : A 39 CYS SG : rot 67:sc= -1.24 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -177:sc= -2.66 (180deg=-2.76) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -141:sc= -0.12 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 130:sc= -1.06 USER MOD Single : A 71 TYR OH : rot 30:sc= -0.0501 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.011) USER MOD Single : A 81 SER OG : rot -3:sc= 0.863 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0853 F(o=-2.5!,f=-0.085) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 64:sc= 0.0118 USER MOD Single : A 90 CYS SG : rot 110:sc= -1.06 USER MOD Single : A 91 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.049) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0.253 (180deg=0.0222) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0956 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.032 -21.804 8.381 1.00 0.00 N ATOM 2 CA GLY A 1 -2.764 -22.429 8.848 1.00 0.00 C ATOM 3 C GLY A 1 -2.865 -22.958 10.265 1.00 0.00 C ATOM 4 O GLY A 1 -1.886 -22.944 11.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.869 -21.325 7.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.757 -22.539 8.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.357 -21.110 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.496 -23.245 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.960 -21.695 8.794 1.00 0.00 H new ATOM 10 N SER A 2 -4.053 -23.426 10.637 1.00 0.00 N ATOM 11 CA SER A 2 -4.278 -23.962 11.974 1.00 0.00 C ATOM 12 C SER A 2 -5.616 -24.692 12.050 1.00 0.00 C ATOM 13 O SER A 2 -5.705 -25.793 12.591 1.00 0.00 O ATOM 14 CB SER A 2 -4.238 -22.838 13.010 1.00 0.00 C ATOM 15 OG SER A 2 -4.306 -23.356 14.328 1.00 0.00 O ATOM 0 H SER A 2 -4.874 -23.445 10.031 1.00 0.00 H new ATOM 0 HA SER A 2 -3.483 -24.675 12.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.321 -22.261 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.070 -22.154 12.841 1.00 0.00 H new ATOM 0 HG SER A 2 -4.277 -22.618 14.972 1.00 0.00 H new ATOM 21 N SER A 3 -6.655 -24.070 11.502 1.00 0.00 N ATOM 22 CA SER A 3 -7.989 -24.659 11.507 1.00 0.00 C ATOM 23 C SER A 3 -8.383 -25.126 10.109 1.00 0.00 C ATOM 24 O SER A 3 -8.251 -24.384 9.136 1.00 0.00 O ATOM 25 CB SER A 3 -9.013 -23.651 12.029 1.00 0.00 C ATOM 26 OG SER A 3 -10.336 -24.113 11.824 1.00 0.00 O ATOM 0 H SER A 3 -6.599 -23.158 11.049 1.00 0.00 H new ATOM 0 HA SER A 3 -7.974 -25.525 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.846 -23.477 13.092 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.876 -22.695 11.524 1.00 0.00 H new ATOM 0 HG SER A 3 -10.971 -23.451 12.168 1.00 0.00 H new ATOM 32 N GLY A 4 -8.869 -26.359 10.018 1.00 0.00 N ATOM 33 CA GLY A 4 -9.277 -26.903 8.736 1.00 0.00 C ATOM 34 C GLY A 4 -8.097 -27.327 7.884 1.00 0.00 C ATOM 35 O GLY A 4 -6.950 -27.276 8.330 1.00 0.00 O ATOM 0 H GLY A 4 -8.988 -26.992 10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.930 -27.761 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.861 -26.157 8.197 1.00 0.00 H new ATOM 39 N SER A 5 -8.377 -27.747 6.654 1.00 0.00 N ATOM 40 CA SER A 5 -7.330 -28.182 5.737 1.00 0.00 C ATOM 41 C SER A 5 -7.261 -27.270 4.517 1.00 0.00 C ATOM 42 O SER A 5 -7.794 -27.595 3.455 1.00 0.00 O ATOM 43 CB SER A 5 -7.577 -29.626 5.295 1.00 0.00 C ATOM 44 OG SER A 5 -7.009 -30.544 6.212 1.00 0.00 O ATOM 0 H SER A 5 -9.321 -27.795 6.270 1.00 0.00 H new ATOM 0 HA SER A 5 -6.377 -28.128 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.649 -29.806 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.150 -29.785 4.305 1.00 0.00 H new ATOM 0 HG SER A 5 -7.182 -31.459 5.908 1.00 0.00 H new ATOM 50 N SER A 6 -6.601 -26.128 4.675 1.00 0.00 N ATOM 51 CA SER A 6 -6.462 -25.168 3.586 1.00 0.00 C ATOM 52 C SER A 6 -5.197 -25.442 2.778 1.00 0.00 C ATOM 53 O SER A 6 -4.458 -26.384 3.065 1.00 0.00 O ATOM 54 CB SER A 6 -6.428 -23.741 4.136 1.00 0.00 C ATOM 55 OG SER A 6 -5.395 -23.588 5.096 1.00 0.00 O ATOM 0 H SER A 6 -6.154 -25.844 5.547 1.00 0.00 H new ATOM 0 HA SER A 6 -7.324 -25.276 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.276 -23.036 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.389 -23.500 4.590 1.00 0.00 H new ATOM 0 HG SER A 6 -5.393 -22.667 5.431 1.00 0.00 H new ATOM 61 N GLY A 7 -4.955 -24.616 1.766 1.00 0.00 N ATOM 62 CA GLY A 7 -3.780 -24.787 0.933 1.00 0.00 C ATOM 63 C GLY A 7 -4.105 -24.739 -0.547 1.00 0.00 C ATOM 64 O GLY A 7 -5.246 -24.486 -0.931 1.00 0.00 O ATOM 0 H GLY A 7 -5.552 -23.831 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.056 -24.007 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.308 -25.741 1.167 1.00 0.00 H new ATOM 68 N ASN A 8 -3.097 -24.983 -1.378 1.00 0.00 N ATOM 69 CA ASN A 8 -3.280 -24.967 -2.825 1.00 0.00 C ATOM 70 C ASN A 8 -2.271 -25.883 -3.510 1.00 0.00 C ATOM 71 O ASN A 8 -1.070 -25.610 -3.512 1.00 0.00 O ATOM 72 CB ASN A 8 -3.139 -23.540 -3.361 1.00 0.00 C ATOM 73 CG ASN A 8 -4.481 -22.893 -3.640 1.00 0.00 C ATOM 74 OD1 ASN A 8 -5.458 -23.572 -3.956 1.00 0.00 O ATOM 75 ND2 ASN A 8 -4.536 -21.571 -3.524 1.00 0.00 N ATOM 0 H ASN A 8 -2.146 -25.194 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.283 -25.333 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.591 -22.936 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.549 -23.555 -4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.413 -21.080 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.702 -21.047 -3.260 1.00 0.00 H new ATOM 82 N GLU A 9 -2.765 -26.972 -4.089 1.00 0.00 N ATOM 83 CA GLU A 9 -1.906 -27.928 -4.778 1.00 0.00 C ATOM 84 C GLU A 9 -1.580 -27.451 -6.189 1.00 0.00 C ATOM 85 O GLU A 9 -0.506 -27.735 -6.719 1.00 0.00 O ATOM 86 CB GLU A 9 -2.578 -29.301 -4.832 1.00 0.00 C ATOM 87 CG GLU A 9 -1.675 -30.399 -5.370 1.00 0.00 C ATOM 88 CD GLU A 9 -2.448 -31.495 -6.077 1.00 0.00 C ATOM 89 OE1 GLU A 9 -2.861 -32.462 -5.402 1.00 0.00 O ATOM 90 OE2 GLU A 9 -2.642 -31.386 -7.307 1.00 0.00 O ATOM 0 H GLU A 9 -3.756 -27.215 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.974 -28.009 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.910 -29.573 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.469 -29.236 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.953 -29.964 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.107 -30.833 -4.547 1.00 0.00 H new ATOM 97 N GLU A 10 -2.515 -26.723 -6.793 1.00 0.00 N ATOM 98 CA GLU A 10 -2.328 -26.205 -8.142 1.00 0.00 C ATOM 99 C GLU A 10 -1.430 -24.972 -8.131 1.00 0.00 C ATOM 100 O GLU A 10 -0.646 -24.754 -9.055 1.00 0.00 O ATOM 101 CB GLU A 10 -3.680 -25.863 -8.772 1.00 0.00 C ATOM 102 CG GLU A 10 -4.262 -26.986 -9.613 1.00 0.00 C ATOM 103 CD GLU A 10 -3.489 -27.213 -10.898 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.682 -26.431 -11.853 1.00 0.00 O ATOM 105 OE2 GLU A 10 -2.690 -28.172 -10.949 1.00 0.00 O ATOM 0 H GLU A 10 -3.410 -26.479 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.844 -26.979 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.386 -25.610 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.567 -24.976 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.268 -27.907 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.300 -26.755 -9.854 1.00 0.00 H new ATOM 112 N LEU A 11 -1.552 -24.167 -7.080 1.00 0.00 N ATOM 113 CA LEU A 11 -0.753 -22.955 -6.948 1.00 0.00 C ATOM 114 C LEU A 11 0.458 -23.196 -6.051 1.00 0.00 C ATOM 115 O LEU A 11 0.832 -22.337 -5.251 1.00 0.00 O ATOM 116 CB LEU A 11 -1.604 -21.817 -6.383 1.00 0.00 C ATOM 117 CG LEU A 11 -1.277 -20.428 -6.933 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.021 -20.182 -8.236 1.00 0.00 C ATOM 119 CD2 LEU A 11 -1.622 -19.356 -5.910 1.00 0.00 C ATOM 0 H LEU A 11 -2.197 -24.333 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.397 -22.675 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.653 -22.033 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.486 -21.799 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.207 -20.380 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.776 -19.189 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.726 -20.932 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.095 -20.249 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.383 -18.374 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.686 -19.404 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.045 -19.522 -5.001 1.00 0.00 H new ATOM 131 N ARG A 12 1.067 -24.369 -6.189 1.00 0.00 N ATOM 132 CA ARG A 12 2.235 -24.722 -5.391 1.00 0.00 C ATOM 133 C ARG A 12 3.523 -24.462 -6.166 1.00 0.00 C ATOM 134 O ARG A 12 4.556 -24.133 -5.583 1.00 0.00 O ATOM 135 CB ARG A 12 2.167 -26.190 -4.971 1.00 0.00 C ATOM 136 CG ARG A 12 2.869 -26.480 -3.654 1.00 0.00 C ATOM 137 CD ARG A 12 1.996 -26.112 -2.465 1.00 0.00 C ATOM 138 NE ARG A 12 2.768 -26.011 -1.229 1.00 0.00 N ATOM 139 CZ ARG A 12 2.242 -25.681 -0.052 1.00 0.00 C ATOM 140 NH1 ARG A 12 0.945 -25.418 0.053 1.00 0.00 N ATOM 141 NH2 ARG A 12 3.015 -25.613 1.023 1.00 0.00 N ATOM 0 H ARG A 12 0.771 -25.091 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 12 2.236 -24.096 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.122 -26.488 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.613 -26.804 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.128 -27.538 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.803 -25.921 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.499 -25.162 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.214 -26.862 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 12 3.769 -26.205 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.346 -25.468 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.547 -25.166 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.012 -25.814 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.612 -25.360 1.925 1.00 0.00 H new ATOM 155 N ALA A 13 3.453 -24.611 -7.485 1.00 0.00 N ATOM 156 CA ALA A 13 4.613 -24.393 -8.341 1.00 0.00 C ATOM 157 C ALA A 13 4.508 -23.070 -9.097 1.00 0.00 C ATOM 158 O ALA A 13 5.495 -22.579 -9.644 1.00 0.00 O ATOM 159 CB ALA A 13 4.770 -25.549 -9.318 1.00 0.00 C ATOM 0 H ALA A 13 2.605 -24.882 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 13 5.496 -24.343 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.640 -25.374 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.905 -26.478 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.878 -25.624 -9.939 1.00 0.00 H new ATOM 165 N GLN A 14 3.307 -22.499 -9.129 1.00 0.00 N ATOM 166 CA GLN A 14 3.081 -21.236 -9.823 1.00 0.00 C ATOM 167 C GLN A 14 3.747 -20.076 -9.087 1.00 0.00 C ATOM 168 O GLN A 14 4.199 -19.114 -9.706 1.00 0.00 O ATOM 169 CB GLN A 14 1.580 -20.972 -9.967 1.00 0.00 C ATOM 170 CG GLN A 14 1.167 -20.559 -11.370 1.00 0.00 C ATOM 171 CD GLN A 14 1.282 -21.695 -12.368 1.00 0.00 C ATOM 172 OE1 GLN A 14 2.451 -21.825 -12.983 1.00 0.00 O flip ATOM 173 NE2 GLN A 14 0.331 -22.446 -12.582 1.00 0.00 N flip ATOM 0 H GLN A 14 2.477 -22.890 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 14 3.528 -21.312 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.033 -21.872 -9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.288 -20.190 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.138 -20.199 -11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.790 -19.727 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.549 -22.308 -12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.423 -23.206 -13.256 1.00 0.00 H new ATOM 182 N GLN A 15 3.801 -20.172 -7.762 1.00 0.00 N ATOM 183 CA GLN A 15 4.409 -19.127 -6.946 1.00 0.00 C ATOM 184 C GLN A 15 5.851 -19.474 -6.592 1.00 0.00 C ATOM 185 O GLN A 15 6.345 -19.103 -5.527 1.00 0.00 O ATOM 186 CB GLN A 15 3.598 -18.915 -5.666 1.00 0.00 C ATOM 187 CG GLN A 15 2.160 -18.494 -5.917 1.00 0.00 C ATOM 188 CD GLN A 15 1.447 -18.072 -4.648 1.00 0.00 C ATOM 189 OE1 GLN A 15 0.752 -17.057 -4.619 1.00 0.00 O ATOM 190 NE2 GLN A 15 1.617 -18.854 -3.586 1.00 0.00 N ATOM 0 H GLN A 15 3.432 -20.961 -7.232 1.00 0.00 H new ATOM 0 HA GLN A 15 4.410 -18.206 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.601 -19.839 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.089 -18.156 -5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.146 -17.669 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.618 -19.321 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.202 -19.687 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.162 -18.621 -2.703 1.00 0.00 H new ATOM 199 N GLU A 16 6.525 -20.185 -7.490 1.00 0.00 N ATOM 200 CA GLU A 16 7.912 -20.577 -7.269 1.00 0.00 C ATOM 201 C GLU A 16 8.828 -19.959 -8.319 1.00 0.00 C ATOM 202 O GLU A 16 9.936 -19.519 -8.009 1.00 0.00 O ATOM 203 CB GLU A 16 8.043 -22.101 -7.293 1.00 0.00 C ATOM 204 CG GLU A 16 7.707 -22.762 -5.967 1.00 0.00 C ATOM 205 CD GLU A 16 8.446 -24.071 -5.765 1.00 0.00 C ATOM 206 OE1 GLU A 16 9.592 -24.036 -5.268 1.00 0.00 O ATOM 207 OE2 GLU A 16 7.878 -25.131 -6.103 1.00 0.00 O ATOM 0 H GLU A 16 6.133 -20.501 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 16 8.215 -20.208 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.387 -22.501 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.063 -22.365 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.953 -22.081 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.633 -22.944 -5.917 1.00 0.00 H new ATOM 214 N ALA A 17 8.360 -19.929 -9.563 1.00 0.00 N ATOM 215 CA ALA A 17 9.139 -19.365 -10.659 1.00 0.00 C ATOM 216 C ALA A 17 8.334 -18.320 -11.425 1.00 0.00 C ATOM 217 O ALA A 17 8.823 -17.225 -11.701 1.00 0.00 O ATOM 218 CB ALA A 17 9.603 -20.468 -11.598 1.00 0.00 C ATOM 0 H ALA A 17 7.446 -20.289 -9.837 1.00 0.00 H new ATOM 0 HA ALA A 17 10.013 -18.872 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.183 -20.033 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.223 -21.177 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.736 -20.986 -12.008 1.00 0.00 H new ATOM 224 N GLU A 18 7.097 -18.668 -11.765 1.00 0.00 N ATOM 225 CA GLU A 18 6.223 -17.760 -12.499 1.00 0.00 C ATOM 226 C GLU A 18 5.937 -16.501 -11.685 1.00 0.00 C ATOM 227 O GLU A 18 6.063 -15.384 -12.187 1.00 0.00 O ATOM 228 CB GLU A 18 4.911 -18.463 -12.858 1.00 0.00 C ATOM 229 CG GLU A 18 4.883 -19.010 -14.276 1.00 0.00 C ATOM 230 CD GLU A 18 3.818 -18.355 -15.134 1.00 0.00 C ATOM 231 OE1 GLU A 18 3.770 -17.108 -15.173 1.00 0.00 O ATOM 232 OE2 GLU A 18 3.030 -19.089 -15.767 1.00 0.00 O ATOM 0 H GLU A 18 6.678 -19.571 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 18 6.732 -17.466 -13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.744 -19.282 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.086 -17.762 -12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.859 -18.861 -14.738 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.707 -20.085 -14.243 1.00 0.00 H new ATOM 239 N ALA A 19 5.551 -16.691 -10.427 1.00 0.00 N ATOM 240 CA ALA A 19 5.247 -15.571 -9.545 1.00 0.00 C ATOM 241 C ALA A 19 6.431 -15.247 -8.641 1.00 0.00 C ATOM 242 O ALA A 19 6.256 -14.833 -7.496 1.00 0.00 O ATOM 243 CB ALA A 19 4.012 -15.877 -8.710 1.00 0.00 C ATOM 0 H ALA A 19 5.442 -17.609 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 19 5.046 -14.697 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.797 -15.032 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.162 -16.052 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.192 -16.766 -8.106 1.00 0.00 H new ATOM 249 N ALA A 20 7.638 -15.437 -9.165 1.00 0.00 N ATOM 250 CA ALA A 20 8.852 -15.164 -8.405 1.00 0.00 C ATOM 251 C ALA A 20 9.994 -14.738 -9.322 1.00 0.00 C ATOM 252 O ALA A 20 11.166 -14.941 -9.005 1.00 0.00 O ATOM 253 CB ALA A 20 9.252 -16.388 -7.596 1.00 0.00 C ATOM 0 H ALA A 20 7.801 -15.779 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 20 8.645 -14.340 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.160 -16.171 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.449 -16.646 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.434 -17.226 -8.269 1.00 0.00 H new ATOM 259 N GLN A 21 9.646 -14.145 -10.460 1.00 0.00 N ATOM 260 CA GLN A 21 10.645 -13.691 -11.421 1.00 0.00 C ATOM 261 C GLN A 21 10.139 -12.480 -12.197 1.00 0.00 C ATOM 262 O GLN A 21 10.827 -11.464 -12.300 1.00 0.00 O ATOM 263 CB GLN A 21 11.003 -14.821 -12.388 1.00 0.00 C ATOM 264 CG GLN A 21 12.241 -15.602 -11.979 1.00 0.00 C ATOM 265 CD GLN A 21 11.910 -16.975 -11.427 1.00 0.00 C ATOM 266 OE1 GLN A 21 11.668 -17.929 -12.318 1.00 0.00 O flip ATOM 267 NE2 GLN A 21 11.872 -17.176 -10.213 1.00 0.00 N flip ATOM 0 H GLN A 21 8.681 -13.968 -10.739 1.00 0.00 H new ATOM 0 HA GLN A 21 11.539 -13.399 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.159 -15.507 -12.461 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.160 -14.402 -13.382 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.899 -15.710 -12.841 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.791 -15.036 -11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.065 -16.414 -9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.648 -18.105 -9.857 1.00 0.00 H new ATOM 276 N ARG A 22 8.933 -12.593 -12.743 1.00 0.00 N ATOM 277 CA ARG A 22 8.335 -11.507 -13.509 1.00 0.00 C ATOM 278 C ARG A 22 7.630 -10.516 -12.590 1.00 0.00 C ATOM 279 O ARG A 22 7.572 -9.320 -12.877 1.00 0.00 O ATOM 280 CB ARG A 22 7.344 -12.062 -14.535 1.00 0.00 C ATOM 281 CG ARG A 22 7.874 -13.258 -15.310 1.00 0.00 C ATOM 282 CD ARG A 22 8.190 -12.895 -16.753 1.00 0.00 C ATOM 283 NE ARG A 22 9.616 -12.653 -16.956 1.00 0.00 N ATOM 284 CZ ARG A 22 10.209 -12.678 -18.148 1.00 0.00 C ATOM 285 NH1 ARG A 22 9.505 -12.935 -19.243 1.00 0.00 N ATOM 286 NH2 ARG A 22 11.512 -12.448 -18.245 1.00 0.00 N ATOM 0 H ARG A 22 8.350 -13.427 -12.669 1.00 0.00 H new ATOM 0 HA ARG A 22 9.135 -10.984 -14.033 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.426 -12.350 -14.022 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.081 -11.272 -15.238 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.773 -13.637 -14.824 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.137 -14.061 -15.289 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.862 -13.701 -17.410 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.627 -12.005 -17.035 1.00 0.00 H new ATOM 0 HE ARG A 22 10.191 -12.453 -16.137 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.503 -13.115 -19.175 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.966 -12.953 -20.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.059 -12.252 -17.407 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.967 -12.467 -19.158 1.00 0.00 H new ATOM 300 N LEU A 23 7.096 -11.022 -11.482 1.00 0.00 N ATOM 301 CA LEU A 23 6.394 -10.182 -10.518 1.00 0.00 C ATOM 302 C LEU A 23 7.346 -9.655 -9.447 1.00 0.00 C ATOM 303 O LEU A 23 7.023 -8.708 -8.730 1.00 0.00 O ATOM 304 CB LEU A 23 5.256 -10.966 -9.863 1.00 0.00 C ATOM 305 CG LEU A 23 4.286 -10.126 -9.030 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.438 -9.241 -9.929 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.405 -11.022 -8.174 1.00 0.00 C ATOM 0 H LEU A 23 7.136 -12.010 -11.230 1.00 0.00 H new ATOM 0 HA LEU A 23 5.980 -9.329 -11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.692 -11.478 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.687 -11.736 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 23 4.867 -9.484 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.754 -8.651 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.085 -8.573 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.865 -9.863 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.721 -10.408 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.832 -11.690 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.029 -11.611 -7.502 1.00 0.00 H new ATOM 319 N SER A 24 8.520 -10.272 -9.339 1.00 0.00 N ATOM 320 CA SER A 24 9.514 -9.862 -8.352 1.00 0.00 C ATOM 321 C SER A 24 9.833 -8.375 -8.480 1.00 0.00 C ATOM 322 O SER A 24 10.147 -7.710 -7.493 1.00 0.00 O ATOM 323 CB SER A 24 10.794 -10.684 -8.515 1.00 0.00 C ATOM 324 OG SER A 24 11.071 -10.931 -9.882 1.00 0.00 O ATOM 0 H SER A 24 8.806 -11.058 -9.923 1.00 0.00 H new ATOM 0 HA SER A 24 9.097 -10.041 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.631 -10.153 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.692 -11.631 -7.985 1.00 0.00 H new ATOM 0 HG SER A 24 11.894 -11.457 -9.959 1.00 0.00 H new ATOM 330 N GLU A 25 9.749 -7.860 -9.702 1.00 0.00 N ATOM 331 CA GLU A 25 10.028 -6.451 -9.957 1.00 0.00 C ATOM 332 C GLU A 25 8.938 -5.566 -9.362 1.00 0.00 C ATOM 333 O GLU A 25 9.221 -4.514 -8.790 1.00 0.00 O ATOM 334 CB GLU A 25 10.148 -6.198 -11.462 1.00 0.00 C ATOM 335 CG GLU A 25 11.582 -6.023 -11.936 1.00 0.00 C ATOM 336 CD GLU A 25 11.702 -6.031 -13.446 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.046 -6.877 -14.091 1.00 0.00 O ATOM 338 OE2 GLU A 25 12.452 -5.191 -13.986 1.00 0.00 O ATOM 0 H GLU A 25 9.490 -8.396 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 25 10.975 -6.199 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.695 -7.031 -12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.578 -5.305 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.976 -5.083 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.197 -6.822 -11.522 1.00 0.00 H new ATOM 345 N GLU A 26 7.689 -6.001 -9.499 1.00 0.00 N ATOM 346 CA GLU A 26 6.555 -5.249 -8.974 1.00 0.00 C ATOM 347 C GLU A 26 6.571 -5.238 -7.449 1.00 0.00 C ATOM 348 O GLU A 26 6.130 -4.276 -6.819 1.00 0.00 O ATOM 349 CB GLU A 26 5.241 -5.849 -9.478 1.00 0.00 C ATOM 350 CG GLU A 26 4.732 -5.208 -10.759 1.00 0.00 C ATOM 351 CD GLU A 26 3.447 -5.841 -11.256 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.639 -6.284 -10.414 1.00 0.00 O ATOM 353 OE2 GLU A 26 3.248 -5.890 -12.488 1.00 0.00 O ATOM 0 H GLU A 26 7.437 -6.870 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 26 6.636 -4.221 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.380 -6.917 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.482 -5.744 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.566 -4.144 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.496 -5.291 -11.532 1.00 0.00 H new ATOM 360 N LYS A 27 7.084 -6.314 -6.860 1.00 0.00 N ATOM 361 CA LYS A 27 7.159 -6.429 -5.409 1.00 0.00 C ATOM 362 C LYS A 27 8.127 -5.403 -4.831 1.00 0.00 C ATOM 363 O LYS A 27 7.864 -4.803 -3.788 1.00 0.00 O ATOM 364 CB LYS A 27 7.595 -7.840 -5.008 1.00 0.00 C ATOM 365 CG LYS A 27 7.309 -8.176 -3.554 1.00 0.00 C ATOM 366 CD LYS A 27 7.017 -9.656 -3.371 1.00 0.00 C ATOM 367 CE LYS A 27 8.232 -10.402 -2.844 1.00 0.00 C ATOM 368 NZ LYS A 27 8.191 -10.556 -1.364 1.00 0.00 N ATOM 0 H LYS A 27 7.454 -7.119 -7.366 1.00 0.00 H new ATOM 0 HA LYS A 27 6.166 -6.235 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.087 -8.563 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.664 -7.947 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.164 -7.894 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.459 -7.590 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.184 -9.781 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.708 -10.088 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.284 -11.386 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.138 -9.867 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.037 -11.070 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.167 -9.617 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.340 -11.089 -1.094 1.00 0.00 H new ATOM 382 N ALA A 28 9.250 -5.205 -5.514 1.00 0.00 N ATOM 383 CA ALA A 28 10.259 -4.251 -5.069 1.00 0.00 C ATOM 384 C ALA A 28 9.683 -2.841 -4.991 1.00 0.00 C ATOM 385 O ALA A 28 10.074 -2.047 -4.137 1.00 0.00 O ATOM 386 CB ALA A 28 11.461 -4.282 -6.000 1.00 0.00 C ATOM 0 H ALA A 28 9.484 -5.693 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 28 10.581 -4.540 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.206 -3.565 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.894 -5.282 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.146 -4.021 -7.010 1.00 0.00 H new ATOM 392 N GLN A 29 8.750 -2.538 -5.888 1.00 0.00 N ATOM 393 CA GLN A 29 8.120 -1.224 -5.922 1.00 0.00 C ATOM 394 C GLN A 29 7.071 -1.097 -4.821 1.00 0.00 C ATOM 395 O GLN A 29 6.971 -0.063 -4.160 1.00 0.00 O ATOM 396 CB GLN A 29 7.476 -0.980 -7.287 1.00 0.00 C ATOM 397 CG GLN A 29 8.407 -1.257 -8.455 1.00 0.00 C ATOM 398 CD GLN A 29 7.659 -1.504 -9.751 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.572 -0.970 -9.965 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.242 -2.319 -10.624 1.00 0.00 N ATOM 0 H GLN A 29 8.414 -3.185 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 29 8.892 -0.473 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.592 -1.610 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.137 0.055 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.082 -0.411 -8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.024 -2.125 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.145 -2.740 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.787 -2.523 -11.514 1.00 0.00 H new ATOM 409 N ALA A 30 6.291 -2.156 -4.630 1.00 0.00 N ATOM 410 CA ALA A 30 5.250 -2.165 -3.610 1.00 0.00 C ATOM 411 C ALA A 30 5.853 -2.287 -2.214 1.00 0.00 C ATOM 412 O ALA A 30 5.283 -1.803 -1.236 1.00 0.00 O ATOM 413 CB ALA A 30 4.270 -3.300 -3.864 1.00 0.00 C ATOM 0 H ALA A 30 6.361 -3.019 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 30 4.713 -1.218 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.498 -3.294 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.807 -3.169 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.801 -4.252 -3.838 1.00 0.00 H new ATOM 419 N SER A 31 7.011 -2.935 -2.129 1.00 0.00 N ATOM 420 CA SER A 31 7.692 -3.119 -0.854 1.00 0.00 C ATOM 421 C SER A 31 8.734 -2.027 -0.630 1.00 0.00 C ATOM 422 O SER A 31 9.854 -2.300 -0.200 1.00 0.00 O ATOM 423 CB SER A 31 8.357 -4.497 -0.801 1.00 0.00 C ATOM 424 OG SER A 31 7.411 -5.529 -1.019 1.00 0.00 O ATOM 0 H SER A 31 7.497 -3.341 -2.929 1.00 0.00 H new ATOM 0 HA SER A 31 6.948 -3.052 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.142 -4.554 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.835 -4.636 0.169 1.00 0.00 H new ATOM 0 HG SER A 31 7.262 -5.638 -1.981 1.00 0.00 H new ATOM 430 N ALA A 32 8.355 -0.788 -0.925 1.00 0.00 N ATOM 431 CA ALA A 32 9.254 0.347 -0.757 1.00 0.00 C ATOM 432 C ALA A 32 8.479 1.615 -0.414 1.00 0.00 C ATOM 433 O ALA A 32 8.842 2.345 0.508 1.00 0.00 O ATOM 434 CB ALA A 32 10.080 0.556 -2.017 1.00 0.00 C ATOM 0 H ALA A 32 7.431 -0.545 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 32 9.926 0.127 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.747 1.407 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.670 -0.338 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.416 0.750 -2.859 1.00 0.00 H new ATOM 440 N ILE A 33 7.409 1.869 -1.160 1.00 0.00 N ATOM 441 CA ILE A 33 6.582 3.048 -0.935 1.00 0.00 C ATOM 442 C ILE A 33 5.823 2.941 0.383 1.00 0.00 C ATOM 443 O ILE A 33 4.795 2.268 0.466 1.00 0.00 O ATOM 444 CB ILE A 33 5.574 3.255 -2.082 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.286 3.214 -3.435 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.835 4.575 -1.907 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.527 2.445 -4.495 1.00 0.00 C ATOM 0 H ILE A 33 7.094 1.273 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 33 7.255 3.905 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 33 4.846 2.445 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.446 4.234 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.270 2.763 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.127 4.707 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.297 4.568 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.551 5.396 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.091 2.458 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.389 1.414 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.553 2.908 -4.654 1.00 0.00 H new ATOM 459 N SER A 34 6.336 3.608 1.413 1.00 0.00 N ATOM 460 CA SER A 34 5.705 3.586 2.728 1.00 0.00 C ATOM 461 C SER A 34 4.286 4.140 2.659 1.00 0.00 C ATOM 462 O SER A 34 3.862 4.662 1.629 1.00 0.00 O ATOM 463 CB SER A 34 6.533 4.398 3.727 1.00 0.00 C ATOM 464 OG SER A 34 7.051 5.572 3.127 1.00 0.00 O ATOM 0 H SER A 34 7.186 4.170 1.362 1.00 0.00 H new ATOM 0 HA SER A 34 5.656 2.550 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.914 4.666 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.353 3.787 4.105 1.00 0.00 H new ATOM 0 HG SER A 34 7.574 6.073 3.787 1.00 0.00 H new ATOM 470 N VAL A 35 3.557 4.021 3.764 1.00 0.00 N ATOM 471 CA VAL A 35 2.184 4.510 3.829 1.00 0.00 C ATOM 472 C VAL A 35 2.118 5.870 4.515 1.00 0.00 C ATOM 473 O VAL A 35 2.849 6.130 5.470 1.00 0.00 O ATOM 474 CB VAL A 35 1.272 3.523 4.580 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.184 3.948 4.465 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.465 2.110 4.052 1.00 0.00 C ATOM 0 H VAL A 35 3.893 3.591 4.626 1.00 0.00 H new ATOM 0 HA VAL A 35 1.833 4.607 2.802 1.00 0.00 H new ATOM 0 HB VAL A 35 1.547 3.533 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.814 3.238 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.308 4.942 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.475 3.969 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.812 1.426 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.218 2.081 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.503 1.808 4.192 1.00 0.00 H new ATOM 486 N GLY A 36 1.238 6.734 4.020 1.00 0.00 N ATOM 487 CA GLY A 36 1.093 8.057 4.597 1.00 0.00 C ATOM 488 C GLY A 36 2.235 8.981 4.221 1.00 0.00 C ATOM 489 O GLY A 36 2.740 9.728 5.059 1.00 0.00 O ATOM 0 H GLY A 36 0.623 6.541 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.151 8.494 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.040 7.973 5.682 1.00 0.00 H new ATOM 493 N SER A 37 2.642 8.931 2.956 1.00 0.00 N ATOM 494 CA SER A 37 3.731 9.769 2.470 1.00 0.00 C ATOM 495 C SER A 37 3.352 10.448 1.158 1.00 0.00 C ATOM 496 O SER A 37 2.760 9.828 0.274 1.00 0.00 O ATOM 497 CB SER A 37 4.998 8.934 2.277 1.00 0.00 C ATOM 498 OG SER A 37 5.615 8.647 3.520 1.00 0.00 O ATOM 0 H SER A 37 2.234 8.319 2.250 1.00 0.00 H new ATOM 0 HA SER A 37 3.922 10.541 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.749 8.003 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.697 9.471 1.636 1.00 0.00 H new ATOM 0 HG SER A 37 6.421 8.111 3.369 1.00 0.00 H new ATOM 504 N ARG A 38 3.695 11.727 1.039 1.00 0.00 N ATOM 505 CA ARG A 38 3.390 12.491 -0.165 1.00 0.00 C ATOM 506 C ARG A 38 4.131 11.922 -1.371 1.00 0.00 C ATOM 507 O ARG A 38 5.361 11.909 -1.407 1.00 0.00 O ATOM 508 CB ARG A 38 3.765 13.962 0.031 1.00 0.00 C ATOM 509 CG ARG A 38 2.679 14.780 0.713 1.00 0.00 C ATOM 510 CD ARG A 38 1.940 15.666 -0.276 1.00 0.00 C ATOM 511 NE ARG A 38 0.490 15.585 -0.109 1.00 0.00 N ATOM 512 CZ ARG A 38 -0.385 16.095 -0.971 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.036 16.725 -2.062 1.00 0.00 N ATOM 514 NH2 ARG A 38 -1.686 15.975 -0.744 1.00 0.00 N ATOM 0 H ARG A 38 4.184 12.256 1.761 1.00 0.00 H new ATOM 0 HA ARG A 38 2.318 12.418 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.678 14.020 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.986 14.405 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.971 14.110 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.124 15.397 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.262 16.699 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.204 15.374 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 38 0.128 15.109 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.035 16.820 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.640 17.114 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.015 15.492 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.357 16.366 -1.405 1.00 0.00 H new ATOM 528 N CYS A 39 3.373 11.451 -2.356 1.00 0.00 N ATOM 529 CA CYS A 39 3.959 10.880 -3.563 1.00 0.00 C ATOM 530 C CYS A 39 3.130 11.237 -4.793 1.00 0.00 C ATOM 531 O CYS A 39 1.915 11.421 -4.703 1.00 0.00 O ATOM 532 CB CYS A 39 4.066 9.359 -3.432 1.00 0.00 C ATOM 533 SG CYS A 39 4.800 8.805 -1.875 1.00 0.00 S ATOM 0 H CYS A 39 2.353 11.453 -2.342 1.00 0.00 H new ATOM 0 HA CYS A 39 4.957 11.300 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.070 8.925 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.662 8.974 -4.260 1.00 0.00 H new ATOM 0 HG CYS A 39 4.002 9.097 -0.891 1.00 0.00 H new ATOM 539 N GLU A 40 3.793 11.334 -5.940 1.00 0.00 N ATOM 540 CA GLU A 40 3.118 11.670 -7.188 1.00 0.00 C ATOM 541 C GLU A 40 2.565 10.417 -7.861 1.00 0.00 C ATOM 542 O GLU A 40 2.925 9.297 -7.502 1.00 0.00 O ATOM 543 CB GLU A 40 4.080 12.387 -8.136 1.00 0.00 C ATOM 544 CG GLU A 40 4.522 13.753 -7.636 1.00 0.00 C ATOM 545 CD GLU A 40 5.993 13.794 -7.268 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.837 13.709 -8.186 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.301 13.911 -6.064 1.00 0.00 O ATOM 0 H GLU A 40 4.798 11.185 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 40 2.286 12.334 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.960 11.762 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.600 12.503 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.323 14.499 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.926 14.027 -6.765 1.00 0.00 H new ATOM 554 N VAL A 41 1.687 10.616 -8.840 1.00 0.00 N ATOM 555 CA VAL A 41 1.084 9.504 -9.563 1.00 0.00 C ATOM 556 C VAL A 41 0.888 9.849 -11.036 1.00 0.00 C ATOM 557 O VAL A 41 0.654 11.005 -11.387 1.00 0.00 O ATOM 558 CB VAL A 41 -0.275 9.108 -8.956 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.791 7.826 -9.590 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.162 8.956 -7.446 1.00 0.00 C ATOM 0 H VAL A 41 1.378 11.537 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 41 1.771 8.662 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.990 9.903 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.752 7.563 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.914 7.974 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.078 7.021 -9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.132 8.676 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.569 8.182 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.158 9.901 -7.008 1.00 0.00 H new ATOM 570 N ARG A 42 0.984 8.837 -11.892 1.00 0.00 N ATOM 571 CA ARG A 42 0.816 9.032 -13.327 1.00 0.00 C ATOM 572 C ARG A 42 -0.037 7.920 -13.930 1.00 0.00 C ATOM 573 O ARG A 42 0.431 6.795 -14.110 1.00 0.00 O ATOM 574 CB ARG A 42 2.180 9.080 -14.020 1.00 0.00 C ATOM 575 CG ARG A 42 2.743 10.485 -14.157 1.00 0.00 C ATOM 576 CD ARG A 42 3.243 10.755 -15.568 1.00 0.00 C ATOM 577 NE ARG A 42 4.662 10.443 -15.716 1.00 0.00 N ATOM 578 CZ ARG A 42 5.261 10.251 -16.889 1.00 0.00 C ATOM 579 NH1 ARG A 42 4.568 10.336 -18.018 1.00 0.00 N ATOM 580 NH2 ARG A 42 6.556 9.971 -16.933 1.00 0.00 N ATOM 0 H ARG A 42 1.177 7.874 -11.617 1.00 0.00 H new ATOM 0 HA ARG A 42 0.305 9.982 -13.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.886 8.468 -13.458 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.091 8.635 -15.011 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.974 11.212 -13.898 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.561 10.620 -13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.666 10.161 -16.277 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.074 11.802 -15.818 1.00 0.00 H new ATOM 0 HE ARG A 42 5.227 10.368 -14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.571 10.549 -17.990 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.033 10.188 -18.914 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.093 9.903 -16.068 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.016 9.824 -17.832 1.00 0.00 H new ATOM 594 N ALA A 43 -1.288 8.242 -14.239 1.00 0.00 N ATOM 595 CA ALA A 43 -2.206 7.269 -14.821 1.00 0.00 C ATOM 596 C ALA A 43 -2.989 7.878 -15.981 1.00 0.00 C ATOM 597 O ALA A 43 -3.135 9.097 -16.070 1.00 0.00 O ATOM 598 CB ALA A 43 -3.158 6.740 -13.759 1.00 0.00 C ATOM 0 H ALA A 43 -1.690 9.169 -14.096 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.617 6.439 -15.211 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.837 6.015 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.587 6.259 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.734 7.566 -13.342 1.00 0.00 H new ATOM 604 N PRO A 44 -3.507 7.033 -16.889 1.00 0.00 N ATOM 605 CA PRO A 44 -4.278 7.493 -18.047 1.00 0.00 C ATOM 606 C PRO A 44 -5.653 8.021 -17.652 1.00 0.00 C ATOM 607 O PRO A 44 -6.680 7.473 -18.055 1.00 0.00 O ATOM 608 CB PRO A 44 -4.411 6.235 -18.906 1.00 0.00 C ATOM 609 CG PRO A 44 -4.321 5.106 -17.938 1.00 0.00 C ATOM 610 CD PRO A 44 -3.379 5.562 -16.857 1.00 0.00 C ATOM 0 HA PRO A 44 -3.792 8.323 -18.559 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.359 6.221 -19.444 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.619 6.180 -19.653 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.301 4.866 -17.526 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.950 4.204 -18.424 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.657 5.156 -15.884 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.356 5.243 -17.055 1.00 0.00 H new ATOM 618 N ASP A 45 -5.667 9.089 -16.861 1.00 0.00 N ATOM 619 CA ASP A 45 -6.916 9.691 -16.411 1.00 0.00 C ATOM 620 C ASP A 45 -6.910 11.197 -16.654 1.00 0.00 C ATOM 621 O ASP A 45 -7.882 11.757 -17.161 1.00 0.00 O ATOM 622 CB ASP A 45 -7.139 9.403 -14.925 1.00 0.00 C ATOM 623 CG ASP A 45 -8.609 9.396 -14.552 1.00 0.00 C ATOM 624 OD1 ASP A 45 -9.163 10.485 -14.300 1.00 0.00 O ATOM 625 OD2 ASP A 45 -9.206 8.298 -14.513 1.00 0.00 O ATOM 0 H ASP A 45 -4.827 9.555 -16.519 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.731 9.251 -16.985 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.699 8.438 -14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.619 10.154 -14.330 1.00 0.00 H new ATOM 630 N HIS A 46 -5.810 11.846 -16.287 1.00 0.00 N ATOM 631 CA HIS A 46 -5.679 13.288 -16.466 1.00 0.00 C ATOM 632 C HIS A 46 -4.216 13.685 -16.632 1.00 0.00 C ATOM 633 O HIS A 46 -3.775 14.024 -17.731 1.00 0.00 O ATOM 634 CB HIS A 46 -6.292 14.027 -15.275 1.00 0.00 C ATOM 635 CG HIS A 46 -7.303 15.059 -15.668 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.640 14.774 -15.845 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.165 16.383 -15.918 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.282 15.877 -16.188 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.410 16.866 -16.239 1.00 0.00 N ATOM 0 H HIS A 46 -4.997 11.397 -15.864 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.215 13.568 -17.373 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.764 13.302 -14.612 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.496 14.508 -14.707 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.248 16.952 -15.873 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.340 15.956 -16.392 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.626 17.834 -16.478 1.00 0.00 H new ATOM 648 N SER A 47 -3.467 13.642 -15.535 1.00 0.00 N ATOM 649 CA SER A 47 -2.054 13.998 -15.559 1.00 0.00 C ATOM 650 C SER A 47 -1.412 13.776 -14.194 1.00 0.00 C ATOM 651 O SER A 47 -2.011 13.168 -13.307 1.00 0.00 O ATOM 652 CB SER A 47 -1.883 15.458 -15.985 1.00 0.00 C ATOM 653 OG SER A 47 -0.711 15.628 -16.764 1.00 0.00 O ATOM 0 H SER A 47 -3.816 13.364 -14.618 1.00 0.00 H new ATOM 0 HA SER A 47 -1.555 13.354 -16.283 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.754 15.777 -16.558 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.832 16.094 -15.102 1.00 0.00 H new ATOM 0 HG SER A 47 -0.625 16.569 -17.025 1.00 0.00 H new ATOM 659 N LEU A 48 -0.190 14.272 -14.032 1.00 0.00 N ATOM 660 CA LEU A 48 0.533 14.127 -12.774 1.00 0.00 C ATOM 661 C LEU A 48 -0.234 14.779 -11.628 1.00 0.00 C ATOM 662 O LEU A 48 -0.609 15.950 -11.704 1.00 0.00 O ATOM 663 CB LEU A 48 1.929 14.744 -12.890 1.00 0.00 C ATOM 664 CG LEU A 48 3.061 13.743 -13.122 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.374 14.471 -13.368 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.187 12.797 -11.938 1.00 0.00 C ATOM 0 H LEU A 48 0.320 14.778 -14.756 1.00 0.00 H new ATOM 0 HA LEU A 48 0.632 13.063 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.925 15.462 -13.710 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.140 15.303 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 48 2.824 13.154 -14.008 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.169 13.743 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.278 15.107 -14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.617 15.085 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.998 12.092 -12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.401 13.370 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.253 12.251 -11.808 1.00 0.00 H new ATOM 678 N ARG A 49 -0.464 14.014 -10.565 1.00 0.00 N ATOM 679 CA ARG A 49 -1.186 14.516 -9.403 1.00 0.00 C ATOM 680 C ARG A 49 -0.432 14.196 -8.115 1.00 0.00 C ATOM 681 O ARG A 49 0.211 13.153 -8.005 1.00 0.00 O ATOM 682 CB ARG A 49 -2.590 13.912 -9.348 1.00 0.00 C ATOM 683 CG ARG A 49 -3.472 14.317 -10.517 1.00 0.00 C ATOM 684 CD ARG A 49 -4.416 15.447 -10.138 1.00 0.00 C ATOM 685 NE ARG A 49 -3.824 16.760 -10.384 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.263 17.887 -9.827 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.294 17.864 -8.991 1.00 0.00 N ATOM 688 NH2 ARG A 49 -3.668 19.040 -10.106 1.00 0.00 N ATOM 0 H ARG A 49 -0.160 13.044 -10.485 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.267 15.599 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.508 12.825 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.071 14.216 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.848 14.629 -11.354 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.050 13.456 -10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.341 15.354 -10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.681 15.360 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.028 16.817 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.754 16.980 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.626 18.730 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.875 19.063 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.004 19.904 -9.680 1.00 0.00 H new ATOM 702 N ARG A 50 -0.517 15.102 -7.146 1.00 0.00 N ATOM 703 CA ARG A 50 0.156 14.916 -5.866 1.00 0.00 C ATOM 704 C ARG A 50 -0.797 14.328 -4.830 1.00 0.00 C ATOM 705 O ARG A 50 -1.763 14.973 -4.424 1.00 0.00 O ATOM 706 CB ARG A 50 0.717 16.248 -5.363 1.00 0.00 C ATOM 707 CG ARG A 50 1.953 16.711 -6.117 1.00 0.00 C ATOM 708 CD ARG A 50 3.228 16.194 -5.468 1.00 0.00 C ATOM 709 NE ARG A 50 3.833 17.187 -4.584 1.00 0.00 N ATOM 710 CZ ARG A 50 4.750 16.899 -3.663 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.168 15.650 -3.501 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.250 17.862 -2.902 1.00 0.00 N ATOM 0 H ARG A 50 -1.045 15.971 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 50 0.978 14.216 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.056 17.012 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.961 16.154 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.902 16.364 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.975 17.800 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.005 15.291 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.942 15.915 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 50 3.535 18.158 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.786 14.905 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.871 15.435 -2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.932 18.824 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.953 17.641 -2.196 1.00 0.00 H new ATOM 726 N GLY A 51 -0.518 13.099 -4.407 1.00 0.00 N ATOM 727 CA GLY A 51 -1.359 12.444 -3.423 1.00 0.00 C ATOM 728 C GLY A 51 -0.558 11.810 -2.302 1.00 0.00 C ATOM 729 O GLY A 51 0.618 12.124 -2.116 1.00 0.00 O ATOM 0 H GLY A 51 0.276 12.545 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.054 13.171 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.958 11.678 -3.915 1.00 0.00 H new ATOM 733 N THR A 52 -1.196 10.918 -1.552 1.00 0.00 N ATOM 734 CA THR A 52 -0.535 10.239 -0.442 1.00 0.00 C ATOM 735 C THR A 52 -0.829 8.743 -0.467 1.00 0.00 C ATOM 736 O THR A 52 -1.927 8.322 -0.832 1.00 0.00 O ATOM 737 CB THR A 52 -0.989 10.837 0.890 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.248 12.223 0.757 1.00 0.00 O ATOM 739 CG2 THR A 52 0.027 10.664 2.000 1.00 0.00 C ATOM 0 H THR A 52 -2.170 10.648 -1.692 1.00 0.00 H new ATOM 0 HA THR A 52 0.540 10.381 -0.549 1.00 0.00 H new ATOM 0 HB THR A 52 -1.894 10.291 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.539 12.586 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.357 11.110 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.211 9.602 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.959 11.155 1.720 1.00 0.00 H new ATOM 747 N VAL A 53 0.158 7.945 -0.076 1.00 0.00 N ATOM 748 CA VAL A 53 0.005 6.495 -0.053 1.00 0.00 C ATOM 749 C VAL A 53 -0.976 6.066 1.033 1.00 0.00 C ATOM 750 O VAL A 53 -0.879 6.502 2.179 1.00 0.00 O ATOM 751 CB VAL A 53 1.355 5.789 0.182 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.201 4.280 0.061 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.405 6.304 -0.792 1.00 0.00 C ATOM 0 H VAL A 53 1.073 8.278 0.229 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.383 6.202 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 53 1.688 6.016 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.165 3.801 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.485 3.927 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.842 4.030 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.351 5.794 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.079 6.111 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.538 7.376 -0.650 1.00 0.00 H new ATOM 763 N MET A 54 -1.922 5.209 0.662 1.00 0.00 N ATOM 764 CA MET A 54 -2.922 4.720 1.604 1.00 0.00 C ATOM 765 C MET A 54 -2.824 3.206 1.771 1.00 0.00 C ATOM 766 O MET A 54 -2.866 2.691 2.888 1.00 0.00 O ATOM 767 CB MET A 54 -4.327 5.101 1.133 1.00 0.00 C ATOM 768 CG MET A 54 -4.666 6.567 1.352 1.00 0.00 C ATOM 769 SD MET A 54 -6.389 6.943 0.980 1.00 0.00 S ATOM 770 CE MET A 54 -6.454 6.544 -0.765 1.00 0.00 C ATOM 0 H MET A 54 -2.017 4.839 -0.284 1.00 0.00 H new ATOM 0 HA MET A 54 -2.729 5.186 2.570 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.421 4.870 0.072 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.057 4.485 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.455 6.834 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.020 7.183 0.726 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.445 6.776 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.707 7.131 -1.300 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.249 5.482 -0.903 1.00 0.00 H new ATOM 780 N TYR A 55 -2.692 2.500 0.653 1.00 0.00 N ATOM 781 CA TYR A 55 -2.588 1.045 0.676 1.00 0.00 C ATOM 782 C TYR A 55 -1.677 0.545 -0.440 1.00 0.00 C ATOM 783 O TYR A 55 -1.866 0.887 -1.608 1.00 0.00 O ATOM 784 CB TYR A 55 -3.975 0.414 0.540 1.00 0.00 C ATOM 785 CG TYR A 55 -4.038 -1.020 1.016 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.546 -2.055 0.231 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.590 -1.337 2.251 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.603 -3.367 0.663 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.650 -2.647 2.690 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.156 -3.657 1.893 1.00 0.00 C ATOM 791 OH TYR A 55 -4.214 -4.962 2.326 1.00 0.00 O ATOM 0 H TYR A 55 -2.654 2.911 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.153 0.751 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.692 1.008 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.283 0.455 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.112 -1.831 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.978 -0.548 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.217 -4.161 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.082 -2.877 3.653 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.631 -4.994 3.212 1.00 0.00 H new ATOM 801 N VAL A 56 -0.691 -0.267 -0.074 1.00 0.00 N ATOM 802 CA VAL A 56 0.249 -0.815 -1.045 1.00 0.00 C ATOM 803 C VAL A 56 0.337 -2.332 -0.925 1.00 0.00 C ATOM 804 O VAL A 56 1.020 -2.858 -0.047 1.00 0.00 O ATOM 805 CB VAL A 56 1.656 -0.213 -0.866 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.580 -0.674 -1.984 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.588 1.306 -0.814 1.00 0.00 C ATOM 0 H VAL A 56 -0.522 -0.560 0.888 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.126 -0.552 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 56 2.063 -0.567 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.569 -0.239 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.656 -1.761 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.177 -0.352 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.592 1.711 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.159 1.683 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.964 1.614 0.025 1.00 0.00 H new ATOM 817 N GLY A 57 -0.359 -3.032 -1.816 1.00 0.00 N ATOM 818 CA GLY A 57 -0.347 -4.483 -1.795 1.00 0.00 C ATOM 819 C GLY A 57 -1.174 -5.086 -2.912 1.00 0.00 C ATOM 820 O GLY A 57 -1.665 -4.371 -3.786 1.00 0.00 O ATOM 0 H GLY A 57 -0.931 -2.619 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.681 -4.836 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.728 -4.832 -0.836 1.00 0.00 H new ATOM 824 N LEU A 58 -1.329 -6.406 -2.886 1.00 0.00 N ATOM 825 CA LEU A 58 -2.102 -7.106 -3.905 1.00 0.00 C ATOM 826 C LEU A 58 -3.565 -6.672 -3.874 1.00 0.00 C ATOM 827 O LEU A 58 -3.992 -5.960 -2.966 1.00 0.00 O ATOM 828 CB LEU A 58 -2.004 -8.619 -3.702 1.00 0.00 C ATOM 829 CG LEU A 58 -0.580 -9.178 -3.669 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.530 -10.462 -2.856 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.070 -9.420 -5.082 1.00 0.00 C ATOM 0 H LEU A 58 -0.929 -7.012 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.686 -6.849 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.501 -8.878 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.554 -9.114 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 58 0.068 -8.443 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.490 -10.845 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.854 -10.259 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.191 -11.203 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.944 -9.817 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.720 -10.136 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.069 -8.480 -5.634 1.00 0.00 H new ATOM 843 N THR A 59 -4.326 -7.108 -4.872 1.00 0.00 N ATOM 844 CA THR A 59 -5.741 -6.766 -4.960 1.00 0.00 C ATOM 845 C THR A 59 -6.579 -7.999 -5.286 1.00 0.00 C ATOM 846 O THR A 59 -6.043 -9.090 -5.483 1.00 0.00 O ATOM 847 CB THR A 59 -5.963 -5.689 -6.023 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.165 -5.943 -7.166 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.640 -4.293 -5.537 1.00 0.00 C ATOM 0 H THR A 59 -3.987 -7.699 -5.631 1.00 0.00 H new ATOM 0 HA THR A 59 -6.056 -6.380 -3.991 1.00 0.00 H new ATOM 0 HB THR A 59 -7.025 -5.734 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.809 -5.098 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.819 -3.578 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.274 -4.049 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.594 -4.246 -5.236 1.00 0.00 H new ATOM 857 N ASP A 60 -7.894 -7.818 -5.340 1.00 0.00 N ATOM 858 CA ASP A 60 -8.805 -8.918 -5.642 1.00 0.00 C ATOM 859 C ASP A 60 -9.444 -8.735 -7.014 1.00 0.00 C ATOM 860 O ASP A 60 -9.761 -9.710 -7.697 1.00 0.00 O ATOM 861 CB ASP A 60 -9.891 -9.015 -4.570 1.00 0.00 C ATOM 862 CG ASP A 60 -10.533 -10.387 -4.521 1.00 0.00 C ATOM 863 OD1 ASP A 60 -9.828 -11.361 -4.182 1.00 0.00 O ATOM 864 OD2 ASP A 60 -11.741 -10.490 -4.820 1.00 0.00 O ATOM 0 H ASP A 60 -8.353 -6.922 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.228 -9.843 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.458 -8.784 -3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.658 -8.265 -4.764 1.00 0.00 H new ATOM 869 N PHE A 61 -9.632 -7.482 -7.413 1.00 0.00 N ATOM 870 CA PHE A 61 -10.235 -7.173 -8.704 1.00 0.00 C ATOM 871 C PHE A 61 -9.251 -7.428 -9.841 1.00 0.00 C ATOM 872 O PHE A 61 -9.635 -7.890 -10.915 1.00 0.00 O ATOM 873 CB PHE A 61 -10.703 -5.717 -8.737 1.00 0.00 C ATOM 874 CG PHE A 61 -9.604 -4.727 -8.474 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.828 -4.241 -9.515 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.347 -4.282 -7.188 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.816 -3.331 -9.276 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.337 -3.372 -6.943 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.570 -2.895 -7.988 1.00 0.00 C ATOM 0 H PHE A 61 -9.375 -6.664 -6.861 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.096 -7.828 -8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.144 -5.508 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.490 -5.580 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.017 -4.577 -10.524 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.943 -4.651 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.218 -2.961 -10.095 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.147 -3.034 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.780 -2.183 -7.799 1.00 0.00 H new ATOM 889 N LYS A 62 -7.980 -7.124 -9.597 1.00 0.00 N ATOM 890 CA LYS A 62 -6.942 -7.321 -10.601 1.00 0.00 C ATOM 891 C LYS A 62 -5.692 -7.941 -9.979 1.00 0.00 C ATOM 892 O LYS A 62 -5.461 -7.818 -8.776 1.00 0.00 O ATOM 893 CB LYS A 62 -6.588 -5.989 -11.267 1.00 0.00 C ATOM 894 CG LYS A 62 -7.397 -5.703 -12.522 1.00 0.00 C ATOM 895 CD LYS A 62 -6.753 -4.613 -13.363 1.00 0.00 C ATOM 896 CE LYS A 62 -5.627 -5.167 -14.222 1.00 0.00 C ATOM 897 NZ LYS A 62 -5.375 -4.319 -15.420 1.00 0.00 N ATOM 0 H LYS A 62 -7.645 -6.741 -8.713 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.327 -8.006 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.745 -5.182 -10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.528 -5.989 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.488 -6.614 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.407 -5.401 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.506 -4.151 -14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.364 -3.830 -12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.716 -5.235 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.877 -6.179 -14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.601 -4.730 -15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.236 -4.274 -16.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.112 -3.360 -15.117 1.00 0.00 H new ATOM 911 N PRO A 63 -4.867 -8.617 -10.796 1.00 0.00 N ATOM 912 CA PRO A 63 -3.636 -9.257 -10.321 1.00 0.00 C ATOM 913 C PRO A 63 -2.548 -8.242 -9.986 1.00 0.00 C ATOM 914 O PRO A 63 -2.778 -7.033 -10.031 1.00 0.00 O ATOM 915 CB PRO A 63 -3.210 -10.124 -11.506 1.00 0.00 C ATOM 916 CG PRO A 63 -3.777 -9.437 -12.699 1.00 0.00 C ATOM 917 CD PRO A 63 -5.068 -8.812 -12.245 1.00 0.00 C ATOM 0 HA PRO A 63 -3.796 -9.817 -9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.125 -10.200 -11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.596 -11.139 -11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.089 -8.680 -13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.950 -10.144 -13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.257 -7.867 -12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.921 -9.460 -12.448 1.00 0.00 H new ATOM 925 N GLY A 64 -1.363 -8.741 -9.649 1.00 0.00 N ATOM 926 CA GLY A 64 -0.258 -7.864 -9.312 1.00 0.00 C ATOM 927 C GLY A 64 -0.569 -6.964 -8.132 1.00 0.00 C ATOM 928 O GLY A 64 -1.671 -7.008 -7.584 1.00 0.00 O ATOM 0 H GLY A 64 -1.149 -9.737 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.622 -8.465 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.009 -7.250 -10.177 1.00 0.00 H new ATOM 932 N TYR A 65 0.403 -6.147 -7.739 1.00 0.00 N ATOM 933 CA TYR A 65 0.227 -5.233 -6.617 1.00 0.00 C ATOM 934 C TYR A 65 -0.467 -3.951 -7.064 1.00 0.00 C ATOM 935 O TYR A 65 -0.601 -3.690 -8.260 1.00 0.00 O ATOM 936 CB TYR A 65 1.579 -4.901 -5.985 1.00 0.00 C ATOM 937 CG TYR A 65 2.268 -6.096 -5.365 1.00 0.00 C ATOM 938 CD1 TYR A 65 1.803 -6.653 -4.180 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.383 -6.668 -5.964 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.429 -7.744 -3.610 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.015 -7.760 -5.401 1.00 0.00 C ATOM 942 CZ TYR A 65 3.534 -8.295 -4.223 1.00 0.00 C ATOM 943 OH TYR A 65 4.161 -9.382 -3.658 1.00 0.00 O ATOM 0 H TYR A 65 1.321 -6.100 -8.181 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.401 -5.725 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.230 -4.471 -6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.435 -4.138 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.937 -6.225 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.762 -6.252 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.055 -8.164 -2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.881 -8.193 -5.880 1.00 0.00 H new ATOM 0 HH TYR A 65 4.282 -10.079 -4.336 1.00 0.00 H new ATOM 953 N TRP A 66 -0.908 -3.154 -6.096 1.00 0.00 N ATOM 954 CA TRP A 66 -1.589 -1.899 -6.390 1.00 0.00 C ATOM 955 C TRP A 66 -1.391 -0.894 -5.261 1.00 0.00 C ATOM 956 O TRP A 66 -1.413 -1.254 -4.084 1.00 0.00 O ATOM 957 CB TRP A 66 -3.082 -2.146 -6.614 1.00 0.00 C ATOM 958 CG TRP A 66 -3.387 -2.801 -7.927 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.377 -4.139 -8.196 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.742 -2.147 -9.150 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.706 -4.358 -9.512 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.934 -3.151 -10.119 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.917 -0.811 -9.521 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.294 -2.859 -11.432 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.274 -0.522 -10.825 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.459 -1.542 -11.767 1.00 0.00 C ATOM 0 H TRP A 66 -0.806 -3.355 -5.101 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.156 -1.484 -7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.464 -2.771 -5.807 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.612 -1.195 -6.559 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.144 -4.913 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.770 -5.270 -9.963 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.776 -0.018 -8.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.438 -3.644 -12.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.413 0.507 -11.122 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.737 -1.284 -12.778 1.00 0.00 H new ATOM 977 N VAL A 67 -1.197 0.369 -5.628 1.00 0.00 N ATOM 978 CA VAL A 67 -0.994 1.427 -4.646 1.00 0.00 C ATOM 979 C VAL A 67 -2.167 2.402 -4.638 1.00 0.00 C ATOM 980 O VAL A 67 -2.586 2.894 -5.686 1.00 0.00 O ATOM 981 CB VAL A 67 0.305 2.208 -4.923 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.596 3.182 -3.792 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.469 1.251 -5.125 1.00 0.00 C ATOM 0 H VAL A 67 -1.176 0.684 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.919 0.944 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 67 0.173 2.783 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.517 3.724 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.228 3.889 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.708 2.632 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.378 1.820 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.604 0.647 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.261 0.599 -5.973 1.00 0.00 H new ATOM 993 N GLY A 68 -2.692 2.678 -3.448 1.00 0.00 N ATOM 994 CA GLY A 68 -3.811 3.594 -3.326 1.00 0.00 C ATOM 995 C GLY A 68 -3.372 5.002 -2.975 1.00 0.00 C ATOM 996 O GLY A 68 -2.812 5.236 -1.904 1.00 0.00 O ATOM 0 H GLY A 68 -2.363 2.284 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.365 3.613 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.494 3.228 -2.560 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.625 5.942 -3.880 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.252 7.335 -3.661 1.00 0.00 C ATOM 1002 C VAL A 69 -4.473 8.247 -3.713 1.00 0.00 C ATOM 1003 O VAL A 69 -5.277 8.172 -4.642 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.226 7.812 -4.706 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.697 9.192 -4.346 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.086 6.812 -4.831 1.00 0.00 C ATOM 0 H VAL A 69 -4.087 5.764 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.803 7.389 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.726 7.881 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.974 9.511 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.524 9.902 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.214 9.153 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.371 7.166 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.587 6.707 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.482 5.845 -5.141 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.603 9.108 -2.709 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.727 10.036 -2.640 1.00 0.00 C ATOM 1018 C ARG A 70 -5.303 11.434 -3.077 1.00 0.00 C ATOM 1019 O ARG A 70 -4.201 11.886 -2.764 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.291 10.083 -1.219 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.501 10.994 -1.075 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.308 12.007 0.043 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.314 13.021 -0.303 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.207 14.196 0.314 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.029 14.509 1.309 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.275 15.059 -0.063 1.00 0.00 N ATOM 0 H ARG A 70 -3.945 9.183 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.502 9.681 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.568 9.074 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.510 10.420 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.677 11.517 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.388 10.393 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.260 12.492 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.998 11.490 0.951 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.664 12.816 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.747 13.848 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.942 15.411 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.640 14.823 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.193 15.959 0.409 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.185 12.114 -3.804 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.901 13.462 -4.284 1.00 0.00 C ATOM 1042 C TYR A 71 -6.693 14.499 -3.495 1.00 0.00 C ATOM 1043 O TYR A 71 -7.703 14.180 -2.869 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.232 13.576 -5.774 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.739 12.407 -6.596 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.383 12.115 -6.680 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.629 11.596 -7.288 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.928 11.048 -7.431 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.181 10.526 -8.042 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.831 10.257 -8.109 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.381 9.194 -8.858 1.00 0.00 O ATOM 0 H TYR A 71 -7.101 11.754 -4.073 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.838 13.656 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.312 13.662 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.794 14.494 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.673 12.732 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.688 11.804 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.871 10.835 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.885 9.905 -8.575 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.556 8.842 -8.463 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.227 15.744 -3.531 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.892 16.829 -2.819 1.00 0.00 C ATOM 1063 C ASP A 72 -8.279 17.090 -3.398 1.00 0.00 C ATOM 1064 O ASP A 72 -9.249 17.263 -2.660 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.048 18.105 -2.887 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.236 18.329 -1.626 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.728 17.977 -0.534 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.109 18.856 -1.731 1.00 0.00 O ATOM 0 H ASP A 72 -5.392 16.026 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.004 16.532 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.376 18.048 -3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.702 18.961 -3.052 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.366 17.114 -4.725 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.634 17.353 -5.403 1.00 0.00 C ATOM 1075 C GLU A 73 -10.256 16.039 -5.870 1.00 0.00 C ATOM 1076 O GLU A 73 -9.565 15.030 -6.010 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.429 18.286 -6.598 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.367 19.756 -6.217 1.00 0.00 C ATOM 1079 CD GLU A 73 -10.145 20.640 -7.172 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -10.381 20.209 -8.320 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -10.519 21.762 -6.771 1.00 0.00 O ATOM 0 H GLU A 73 -7.573 16.971 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.314 17.826 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.506 18.012 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.242 18.137 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.760 19.883 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.326 20.078 -6.196 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.578 16.034 -6.117 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.292 14.837 -6.570 1.00 0.00 C ATOM 1090 C PRO A 74 -11.899 14.428 -7.986 1.00 0.00 C ATOM 1091 O PRO A 74 -12.593 14.748 -8.951 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.763 15.256 -6.524 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.739 16.740 -6.656 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.477 17.194 -5.976 1.00 0.00 C ATOM 0 HA PRO A 74 -12.064 13.970 -5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.331 14.796 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.233 14.949 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.747 17.039 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.617 17.188 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.063 18.084 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.651 17.443 -4.929 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.779 13.721 -8.103 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.292 13.269 -9.401 1.00 0.00 C ATOM 1104 C LEU A 75 -9.962 11.781 -9.370 1.00 0.00 C ATOM 1105 O LEU A 75 -9.063 11.320 -10.073 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.055 14.069 -9.813 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.269 15.579 -9.926 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -7.972 16.323 -9.648 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.806 15.939 -11.303 1.00 0.00 C ATOM 0 H LEU A 75 -10.192 13.449 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.082 13.433 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.263 13.883 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.702 13.694 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.005 15.880 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.143 17.396 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.627 16.089 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.215 16.018 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.952 17.017 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.093 15.625 -12.065 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.758 15.433 -11.466 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.694 11.034 -8.549 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.463 9.607 -8.442 1.00 0.00 C ATOM 1123 C GLY A 76 -11.448 8.796 -9.261 1.00 0.00 C ATOM 1124 O GLY A 76 -12.362 9.351 -9.872 1.00 0.00 O ATOM 0 H GLY A 76 -11.443 11.393 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.449 9.381 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.533 9.308 -7.396 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.264 7.480 -9.271 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.144 6.591 -10.021 1.00 0.00 C ATOM 1130 C LYS A 77 -12.931 5.686 -9.079 1.00 0.00 C ATOM 1131 O LYS A 77 -14.107 5.404 -9.309 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.334 5.744 -11.003 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.747 6.543 -12.155 1.00 0.00 C ATOM 1134 CD LYS A 77 -10.174 5.633 -13.230 1.00 0.00 C ATOM 1135 CE LYS A 77 -8.668 5.488 -13.092 1.00 0.00 C ATOM 1136 NZ LYS A 77 -8.295 4.297 -12.279 1.00 0.00 N ATOM 0 H LYS A 77 -10.514 7.006 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.849 7.206 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.525 5.252 -10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.973 4.958 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.519 7.179 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.964 7.203 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.643 4.651 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.413 6.035 -14.214 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.219 5.406 -14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.258 6.386 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.259 4.235 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.701 4.386 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.664 3.437 -12.733 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.274 5.234 -8.015 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.911 4.361 -7.036 1.00 0.00 C ATOM 1152 C ASN A 78 -13.086 5.078 -5.701 1.00 0.00 C ATOM 1153 O ASN A 78 -12.610 6.199 -5.521 1.00 0.00 O ATOM 1154 CB ASN A 78 -12.083 3.090 -6.840 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.088 2.203 -8.070 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -12.657 1.112 -8.062 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.449 2.669 -9.138 1.00 0.00 N ATOM 0 H ASN A 78 -11.300 5.458 -7.809 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.896 4.090 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.056 3.362 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.475 2.531 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.417 2.116 -9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.990 3.579 -9.101 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.770 4.425 -4.769 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.007 4.999 -3.450 1.00 0.00 C ATOM 1166 C ASP A 79 -13.101 4.356 -2.404 1.00 0.00 C ATOM 1167 O ASP A 79 -12.721 4.993 -1.422 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.472 4.824 -3.048 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.968 3.409 -3.271 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.277 2.463 -2.839 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.046 3.246 -3.879 1.00 0.00 O ATOM 0 H ASP A 79 -14.171 3.497 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.776 6.063 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.591 5.086 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.088 5.517 -3.621 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.761 3.090 -2.622 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.903 2.382 -1.689 1.00 0.00 C ATOM 1178 C GLY A 80 -12.318 0.936 -1.503 1.00 0.00 C ATOM 1179 O GLY A 80 -11.485 0.078 -1.210 1.00 0.00 O ATOM 0 H GLY A 80 -13.064 2.542 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.874 2.418 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.923 2.890 -0.725 1.00 0.00 H new ATOM 1183 N SER A 81 -13.607 0.665 -1.672 1.00 0.00 N ATOM 1184 CA SER A 81 -14.131 -0.687 -1.519 1.00 0.00 C ATOM 1185 C SER A 81 -14.349 -1.343 -2.879 1.00 0.00 C ATOM 1186 O SER A 81 -15.223 -0.935 -3.643 1.00 0.00 O ATOM 1187 CB SER A 81 -15.444 -0.663 -0.736 1.00 0.00 C ATOM 1188 OG SER A 81 -16.528 -0.289 -1.568 1.00 0.00 O ATOM 0 H SER A 81 -14.309 1.364 -1.915 1.00 0.00 H new ATOM 0 HA SER A 81 -13.397 -1.273 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.633 -1.647 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.362 0.036 0.096 1.00 0.00 H new ATOM 0 HG SER A 81 -16.194 -0.072 -2.463 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.546 -2.362 -3.174 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.651 -3.075 -4.442 1.00 0.00 C ATOM 1196 C VAL A 82 -14.055 -4.528 -4.221 1.00 0.00 C ATOM 1197 O VAL A 82 -13.279 -5.327 -3.697 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.321 -3.036 -5.218 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.501 -3.612 -6.614 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.783 -1.615 -5.285 1.00 0.00 C ATOM 0 H VAL A 82 -12.817 -2.711 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.420 -2.571 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.594 -3.650 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.551 -3.576 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.837 -4.646 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.244 -3.027 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.843 -1.607 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.506 -0.976 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.614 -1.242 -4.275 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.276 -4.864 -4.627 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.785 -6.223 -4.473 1.00 0.00 C ATOM 1212 C ASN A 83 -15.817 -6.628 -3.004 1.00 0.00 C ATOM 1213 O ASN A 83 -15.688 -7.806 -2.670 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.922 -7.205 -5.269 1.00 0.00 C ATOM 1215 CG ASN A 83 -15.145 -7.084 -6.762 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.812 -5.923 -7.316 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -15.608 -8.021 -7.412 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.930 -4.215 -5.064 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.804 -6.250 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.870 -7.026 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.147 -8.223 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.850 -8.895 -6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.750 -7.923 -8.417 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.990 -5.642 -2.132 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.038 -5.912 -0.708 1.00 0.00 C ATOM 1226 C GLY A 84 -14.711 -5.652 -0.023 1.00 0.00 C ATOM 1227 O GLY A 84 -14.669 -5.316 1.161 1.00 0.00 O ATOM 0 H GLY A 84 -16.098 -4.660 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.808 -5.291 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.329 -6.950 -0.548 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.621 -5.807 -0.770 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.286 -5.587 -0.228 1.00 0.00 C ATOM 1233 C LYS A 85 -11.955 -4.099 -0.179 1.00 0.00 C ATOM 1234 O LYS A 85 -11.879 -3.435 -1.213 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.243 -6.325 -1.070 1.00 0.00 C ATOM 1236 CG LYS A 85 -9.860 -6.348 -0.440 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.004 -7.464 -1.016 1.00 0.00 C ATOM 1238 CE LYS A 85 -7.773 -7.720 -0.163 1.00 0.00 C ATOM 1239 NZ LYS A 85 -7.436 -9.168 -0.094 1.00 0.00 N ATOM 0 H LYS A 85 -13.637 -6.084 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.266 -5.978 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.577 -7.350 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.179 -5.853 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.368 -5.389 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.952 -6.478 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.595 -8.377 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.698 -7.203 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.926 -7.170 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.943 -7.339 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.591 -9.300 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.234 -9.691 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.248 -9.527 -1.052 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.757 -3.580 1.029 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.434 -2.171 1.213 1.00 0.00 C ATOM 1255 C ARG A 86 -9.939 -1.982 1.445 1.00 0.00 C ATOM 1256 O ARG A 86 -9.303 -2.776 2.139 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.222 -1.594 2.391 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.257 -0.075 2.412 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.926 0.448 3.672 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.312 0.001 3.782 1.00 0.00 N ATOM 1261 CZ ARG A 86 -15.217 0.575 4.573 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.884 1.620 5.323 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -16.456 0.106 4.613 1.00 0.00 N ATOM 0 H ARG A 86 -11.815 -4.116 1.895 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.713 -1.639 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.244 -1.972 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.782 -1.952 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.241 0.315 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.793 0.290 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.367 0.113 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.895 1.538 3.673 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.604 -0.798 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.932 1.986 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.580 2.057 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.717 -0.695 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.149 0.546 5.219 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.383 -0.927 0.860 1.00 0.00 N ATOM 1278 CA TYR A 87 -7.962 -0.634 1.004 1.00 0.00 C ATOM 1279 C TYR A 87 -7.748 0.644 1.809 1.00 0.00 C ATOM 1280 O TYR A 87 -6.793 0.752 2.580 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.307 -0.499 -0.372 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.574 -1.673 -1.287 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.769 -1.773 -1.989 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.632 -2.680 -1.449 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.017 -2.844 -2.826 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.873 -3.755 -2.284 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.066 -3.832 -2.970 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.310 -4.901 -3.801 1.00 0.00 O ATOM 0 H TYR A 87 -9.895 -0.261 0.282 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.498 -1.462 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.668 0.412 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.230 -0.387 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.516 -1.001 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.696 -2.623 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.951 -2.907 -3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.130 -4.531 -2.398 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.390 -4.585 -4.725 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.643 1.610 1.627 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.551 2.880 2.338 1.00 0.00 C ATOM 1300 C PHE A 88 -9.940 3.408 2.687 1.00 0.00 C ATOM 1301 O PHE A 88 -10.952 2.831 2.292 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.800 3.909 1.492 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.447 4.184 0.165 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.428 5.155 0.046 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -8.074 3.472 -0.964 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -10.026 5.411 -1.174 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.668 3.724 -2.186 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.646 4.693 -2.291 1.00 0.00 C ATOM 0 H PHE A 88 -9.439 1.537 0.994 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.001 2.711 3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.726 4.842 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.782 3.556 1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.729 5.719 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.311 2.712 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.789 6.171 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.367 3.163 -3.059 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.113 4.889 -3.245 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.979 4.509 3.431 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.243 5.115 3.834 1.00 0.00 C ATOM 1320 C GLU A 89 -11.342 6.552 3.333 1.00 0.00 C ATOM 1321 O GLU A 89 -10.872 7.483 3.990 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.386 5.082 5.357 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.692 3.700 5.910 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.220 3.526 7.340 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -11.367 4.480 8.133 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.704 2.437 7.667 1.00 0.00 O ATOM 0 H GLU A 89 -9.150 4.999 3.767 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.053 4.538 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.464 5.449 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.180 5.767 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.767 3.523 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.217 2.948 5.281 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.956 6.727 2.167 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.116 8.052 1.579 1.00 0.00 C ATOM 1335 C CYS A 90 -13.374 8.116 0.719 1.00 0.00 C ATOM 1336 O CYS A 90 -13.903 7.088 0.297 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.891 8.410 0.736 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.756 10.168 0.337 1.00 0.00 S ATOM 0 H CYS A 90 -12.351 5.968 1.611 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.214 8.773 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.993 8.100 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.923 7.839 -0.192 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.760 10.686 0.992 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.849 9.331 0.462 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.045 9.529 -0.348 1.00 0.00 C ATOM 1346 C GLN A 91 -14.855 8.958 -1.750 1.00 0.00 C ATOM 1347 O GLN A 91 -13.730 8.699 -2.178 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.388 11.018 -0.434 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.879 11.303 -0.390 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.474 11.083 0.987 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.384 11.947 1.859 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.087 9.923 1.190 1.00 0.00 N ATOM 0 H GLN A 91 -13.424 10.193 0.803 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.869 9.000 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.902 11.542 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.976 11.424 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.058 12.333 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.389 10.662 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.138 9.235 0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.507 9.720 2.097 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.962 8.762 -2.459 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.916 8.220 -3.812 1.00 0.00 C ATOM 1363 C ALA A 92 -15.331 9.234 -4.790 1.00 0.00 C ATOM 1364 O ALA A 92 -15.461 10.443 -4.599 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.308 7.798 -4.259 1.00 0.00 C ATOM 0 H ALA A 92 -16.901 8.970 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.267 7.344 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.259 7.395 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.691 7.034 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.972 8.662 -4.244 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.684 8.732 -5.838 1.00 0.00 N ATOM 1372 CA LYS A 93 -14.078 9.594 -6.846 1.00 0.00 C ATOM 1373 C LYS A 93 -13.017 10.496 -6.225 1.00 0.00 C ATOM 1374 O LYS A 93 -13.073 11.720 -6.353 1.00 0.00 O ATOM 1375 CB LYS A 93 -15.151 10.442 -7.533 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.373 9.646 -7.963 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.597 10.537 -8.104 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.420 10.559 -6.826 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.968 11.913 -6.542 1.00 0.00 N ATOM 0 H LYS A 93 -14.566 7.734 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.596 8.959 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.465 11.235 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.716 10.925 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.170 9.151 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.574 8.863 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.284 11.551 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.214 10.182 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.240 9.846 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.800 10.235 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.523 11.886 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.185 12.589 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.580 12.212 -7.328 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.049 9.884 -5.551 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.974 10.633 -4.909 1.00 0.00 C ATOM 1395 C TYR A 94 -9.678 9.829 -4.905 1.00 0.00 C ATOM 1396 O TYR A 94 -8.654 10.281 -5.419 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.365 10.999 -3.475 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.142 12.290 -3.371 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.500 13.519 -3.460 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.519 12.282 -3.183 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.208 14.702 -3.365 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.233 13.461 -3.088 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.574 14.667 -3.179 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.281 15.844 -3.084 1.00 0.00 O ATOM 0 H TYR A 94 -11.986 8.873 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.811 11.548 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.962 10.191 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.462 11.079 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.430 13.550 -3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.040 11.339 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.694 15.649 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.303 13.437 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 94 -15.232 15.645 -2.955 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.730 8.636 -4.322 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.553 7.789 -4.262 1.00 0.00 C ATOM 1416 C GLY A 95 -8.492 6.796 -5.405 1.00 0.00 C ATOM 1417 O GLY A 95 -9.122 5.740 -5.353 1.00 0.00 O ATOM 0 H GLY A 95 -10.565 8.241 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.659 8.413 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.546 7.249 -3.315 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.733 7.136 -6.441 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.591 6.267 -7.603 1.00 0.00 C ATOM 1423 C ALA A 96 -6.534 5.196 -7.359 1.00 0.00 C ATOM 1424 O ALA A 96 -5.525 5.444 -6.698 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.241 7.087 -8.836 1.00 0.00 C ATOM 0 H ALA A 96 -7.206 8.008 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.545 5.768 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.138 6.425 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.033 7.811 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.301 7.613 -8.668 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.771 4.003 -7.896 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.839 2.894 -7.735 1.00 0.00 C ATOM 1433 C PHE A 97 -4.821 2.868 -8.870 1.00 0.00 C ATOM 1434 O PHE A 97 -5.181 2.697 -10.035 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.598 1.567 -7.684 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.232 1.289 -6.350 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.514 1.462 -5.178 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.546 0.856 -6.270 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.095 1.209 -3.949 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.132 0.600 -5.044 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.406 0.777 -3.883 1.00 0.00 C ATOM 0 H PHE A 97 -7.601 3.780 -8.446 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.304 3.035 -6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.372 1.571 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.912 0.756 -7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.489 1.798 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.119 0.717 -7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.525 1.349 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.157 0.262 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.862 0.578 -2.924 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.549 3.035 -8.523 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.479 3.029 -9.513 1.00 0.00 C ATOM 1453 C VAL A 98 -1.461 1.935 -9.215 1.00 0.00 C ATOM 1454 O VAL A 98 -1.583 1.212 -8.225 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.751 4.387 -9.566 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.669 5.465 -10.124 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.236 4.772 -8.187 1.00 0.00 C ATOM 0 H VAL A 98 -3.234 3.176 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.946 2.837 -10.479 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.894 4.293 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.137 6.416 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.980 5.192 -11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.548 5.560 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.725 5.733 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.074 4.847 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.540 4.012 -7.833 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.457 1.816 -10.078 1.00 0.00 N ATOM 1468 CA LYS A 99 0.582 0.808 -9.908 1.00 0.00 C ATOM 1469 C LYS A 99 1.857 1.427 -9.342 1.00 0.00 C ATOM 1470 O LYS A 99 2.166 2.586 -9.613 1.00 0.00 O ATOM 1471 CB LYS A 99 0.881 0.125 -11.243 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.352 -0.448 -11.924 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.957 -1.585 -11.118 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.219 -2.893 -11.353 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.011 -3.835 -12.190 1.00 0.00 N ATOM 0 H LYS A 99 -0.341 2.406 -10.902 1.00 0.00 H new ATOM 0 HA LYS A 99 0.218 0.064 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.354 0.844 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.600 -0.677 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.094 0.339 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.086 -0.807 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.927 -1.336 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.006 -1.705 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.735 -2.689 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.006 -3.360 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.774 -4.814 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.026 -3.671 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.788 -3.679 -13.194 1.00 0.00 H new ATOM 1489 N PRO A 100 2.617 0.656 -8.540 1.00 0.00 N ATOM 1490 CA PRO A 100 3.863 1.136 -7.940 1.00 0.00 C ATOM 1491 C PRO A 100 4.731 1.845 -8.965 1.00 0.00 C ATOM 1492 O PRO A 100 5.161 2.980 -8.758 1.00 0.00 O ATOM 1493 CB PRO A 100 4.535 -0.149 -7.456 1.00 0.00 C ATOM 1494 CG PRO A 100 3.404 -1.077 -7.170 1.00 0.00 C ATOM 1495 CD PRO A 100 2.321 -0.741 -8.162 1.00 0.00 C ATOM 0 HA PRO A 100 3.697 1.863 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.202 -0.558 -8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.137 0.029 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.718 -2.116 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.047 -0.952 -6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.349 -1.405 -9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.329 -0.835 -7.720 1.00 0.00 H new ATOM 1503 N SER A 101 4.963 1.169 -10.087 1.00 0.00 N ATOM 1504 CA SER A 101 5.754 1.739 -11.166 1.00 0.00 C ATOM 1505 C SER A 101 5.147 3.068 -11.598 1.00 0.00 C ATOM 1506 O SER A 101 5.836 3.934 -12.136 1.00 0.00 O ATOM 1507 CB SER A 101 5.815 0.776 -12.352 1.00 0.00 C ATOM 1508 OG SER A 101 6.208 1.447 -13.536 1.00 0.00 O ATOM 0 H SER A 101 4.614 0.228 -10.270 1.00 0.00 H new ATOM 0 HA SER A 101 6.770 1.907 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.519 -0.028 -12.136 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.839 0.314 -12.499 1.00 0.00 H new ATOM 0 HG SER A 101 6.241 0.808 -14.279 1.00 0.00 H new ATOM 1514 N ALA A 102 3.849 3.226 -11.338 1.00 0.00 N ATOM 1515 CA ALA A 102 3.149 4.454 -11.679 1.00 0.00 C ATOM 1516 C ALA A 102 3.229 5.456 -10.529 1.00 0.00 C ATOM 1517 O ALA A 102 2.935 6.638 -10.704 1.00 0.00 O ATOM 1518 CB ALA A 102 1.697 4.158 -12.025 1.00 0.00 C ATOM 0 H ALA A 102 3.266 2.517 -10.893 1.00 0.00 H new ATOM 0 HA ALA A 102 3.632 4.894 -12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.187 5.087 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.657 3.479 -12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.206 3.696 -11.169 1.00 0.00 H new ATOM 1524 N VAL A 103 3.632 4.975 -9.352 1.00 0.00 N ATOM 1525 CA VAL A 103 3.751 5.835 -8.180 1.00 0.00 C ATOM 1526 C VAL A 103 5.170 6.378 -8.041 1.00 0.00 C ATOM 1527 O VAL A 103 6.144 5.658 -8.256 1.00 0.00 O ATOM 1528 CB VAL A 103 3.370 5.082 -6.890 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.366 6.028 -5.698 1.00 0.00 C ATOM 1530 CG2 VAL A 103 2.016 4.406 -7.046 1.00 0.00 C ATOM 0 H VAL A 103 3.880 3.999 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 103 3.060 6.665 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 103 4.118 4.310 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.095 5.477 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.359 6.461 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.642 6.825 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.764 3.880 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.255 5.159 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.057 3.695 -7.871 1.00 0.00 H new ATOM 1540 N THR A 104 5.278 7.654 -7.681 1.00 0.00 N ATOM 1541 CA THR A 104 6.578 8.292 -7.514 1.00 0.00 C ATOM 1542 C THR A 104 6.717 8.893 -6.119 1.00 0.00 C ATOM 1543 O THR A 104 6.053 9.874 -5.786 1.00 0.00 O ATOM 1544 CB THR A 104 6.772 9.381 -8.572 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.135 9.022 -9.785 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.227 9.661 -8.884 1.00 0.00 C ATOM 0 H THR A 104 4.481 8.265 -7.500 1.00 0.00 H new ATOM 0 HA THR A 104 7.347 7.530 -7.638 1.00 0.00 H new ATOM 0 HB THR A 104 6.329 10.280 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.269 9.732 -10.447 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.293 10.442 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.737 9.989 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.700 8.753 -9.258 1.00 0.00 H new ATOM 1554 N VAL A 105 7.584 8.296 -5.308 1.00 0.00 N ATOM 1555 CA VAL A 105 7.812 8.774 -3.949 1.00 0.00 C ATOM 1556 C VAL A 105 8.805 9.931 -3.933 1.00 0.00 C ATOM 1557 O VAL A 105 9.860 9.864 -4.564 1.00 0.00 O ATOM 1558 CB VAL A 105 8.337 7.647 -3.038 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.407 8.114 -1.592 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.467 6.405 -3.162 1.00 0.00 C ATOM 0 H VAL A 105 8.140 7.481 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 105 6.851 9.119 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 105 9.345 7.389 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.780 7.304 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.079 8.969 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.412 8.405 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.856 5.622 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.445 6.646 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.476 6.056 -4.194 1.00 0.00 H new ATOM 1570 N GLY A 106 8.462 10.990 -3.208 1.00 0.00 N ATOM 1571 CA GLY A 106 9.335 12.146 -3.125 1.00 0.00 C ATOM 1572 C GLY A 106 10.486 11.939 -2.162 1.00 0.00 C ATOM 1573 O GLY A 106 11.619 12.329 -2.444 1.00 0.00 O ATOM 0 H GLY A 106 7.595 11.069 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.731 12.370 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.754 13.013 -2.810 1.00 0.00 H new ATOM 1577 N ASP A 107 10.196 11.322 -1.021 1.00 0.00 N ATOM 1578 CA ASP A 107 11.216 11.063 -0.011 1.00 0.00 C ATOM 1579 C ASP A 107 11.035 9.677 0.601 1.00 0.00 C ATOM 1580 O ASP A 107 9.916 9.170 0.692 1.00 0.00 O ATOM 1581 CB ASP A 107 11.161 12.127 1.086 1.00 0.00 C ATOM 1582 CG ASP A 107 12.537 12.493 1.605 1.00 0.00 C ATOM 1583 OD1 ASP A 107 13.360 11.576 1.806 1.00 0.00 O ATOM 1584 OD2 ASP A 107 12.792 13.699 1.813 1.00 0.00 O ATOM 0 H ASP A 107 9.263 10.992 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 107 12.191 11.103 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.673 13.021 0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.549 11.763 1.911 1.00 0.00 H new ATOM 1589 N SER A 108 12.140 9.071 1.019 1.00 0.00 N ATOM 1590 CA SER A 108 12.102 7.744 1.623 1.00 0.00 C ATOM 1591 C SER A 108 12.146 7.837 3.145 1.00 0.00 C ATOM 1592 O SER A 108 12.673 8.800 3.702 1.00 0.00 O ATOM 1593 CB SER A 108 13.270 6.895 1.118 1.00 0.00 C ATOM 1594 OG SER A 108 13.353 5.669 1.824 1.00 0.00 O ATOM 0 H SER A 108 13.073 9.477 0.951 1.00 0.00 H new ATOM 0 HA SER A 108 11.165 7.268 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.146 6.697 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.202 7.448 1.233 1.00 0.00 H new ATOM 0 HG SER A 108 14.106 5.144 1.481 1.00 0.00 H new ATOM 1600 N GLY A 109 11.591 6.830 3.809 1.00 0.00 N ATOM 1601 CA GLY A 109 11.578 6.814 5.259 1.00 0.00 C ATOM 1602 C GLY A 109 11.537 5.405 5.822 1.00 0.00 C ATOM 1603 O GLY A 109 10.462 4.824 5.960 1.00 0.00 O ATOM 0 H GLY A 109 11.149 6.023 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 109 12.464 7.326 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.713 7.371 5.618 1.00 0.00 H new ATOM 1607 N PRO A 110 12.703 4.822 6.157 1.00 0.00 N ATOM 1608 CA PRO A 110 12.774 3.464 6.706 1.00 0.00 C ATOM 1609 C PRO A 110 12.047 3.340 8.041 1.00 0.00 C ATOM 1610 O PRO A 110 11.119 2.543 8.182 1.00 0.00 O ATOM 1611 CB PRO A 110 14.277 3.217 6.885 1.00 0.00 C ATOM 1612 CG PRO A 110 14.897 4.572 6.902 1.00 0.00 C ATOM 1613 CD PRO A 110 14.035 5.436 6.026 1.00 0.00 C ATOM 0 HA PRO A 110 12.291 2.739 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.480 2.680 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.676 2.612 6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 110 14.941 4.968 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 110 15.920 4.537 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 110 14.035 6.474 6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 110 14.380 5.433 4.992 1.00 0.00 H new ATOM 1621 N SER A 111 12.472 4.132 9.020 1.00 0.00 N ATOM 1622 CA SER A 111 11.860 4.112 10.344 1.00 0.00 C ATOM 1623 C SER A 111 12.502 5.152 11.256 1.00 0.00 C ATOM 1624 O SER A 111 11.809 5.906 11.939 1.00 0.00 O ATOM 1625 CB SER A 111 11.988 2.721 10.969 1.00 0.00 C ATOM 1626 OG SER A 111 13.339 2.417 11.267 1.00 0.00 O ATOM 0 H SER A 111 13.239 4.797 8.921 1.00 0.00 H new ATOM 0 HA SER A 111 10.804 4.356 10.231 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.392 2.672 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.586 1.973 10.285 1.00 0.00 H new ATOM 0 HG SER A 111 13.393 1.524 11.667 1.00 0.00 H new ATOM 1632 N SER A 112 13.831 5.188 11.260 1.00 0.00 N ATOM 1633 CA SER A 112 14.567 6.136 12.088 1.00 0.00 C ATOM 1634 C SER A 112 14.879 7.412 11.310 1.00 0.00 C ATOM 1635 O SER A 112 16.007 7.904 11.330 1.00 0.00 O ATOM 1636 CB SER A 112 15.865 5.503 12.595 1.00 0.00 C ATOM 1637 OG SER A 112 16.308 6.129 13.787 1.00 0.00 O ATOM 0 H SER A 112 14.420 4.572 10.699 1.00 0.00 H new ATOM 0 HA SER A 112 13.941 6.397 12.941 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.708 4.440 12.776 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.636 5.585 11.829 1.00 0.00 H new ATOM 0 HG SER A 112 17.138 5.705 14.090 1.00 0.00 H new ATOM 1643 N GLY A 113 13.870 7.944 10.627 1.00 0.00 N ATOM 1644 CA GLY A 113 14.059 9.157 9.853 1.00 0.00 C ATOM 1645 C GLY A 113 12.813 9.555 9.086 1.00 0.00 C ATOM 1646 O GLY A 113 12.412 8.801 8.174 1.00 0.00 O ATOM 1647 OXT GLY A 113 12.239 10.619 9.397 1.00 0.00 O ATOM 0 H GLY A 113 12.927 7.557 10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.346 9.969 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.882 9.013 9.153 1.00 0.00 H new TER 1651 GLY A 113