USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 869 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 75 THR OG1 : rot 125:sc= 1.04 USER MOD Set 1.2: A 88 GLN : amide:sc= 1.02 K(o=2.1,f=-4.2!) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.00971 K(o=0.45,f=-4.5!) USER MOD Set 2.2: A 92 SER OG : rot -104:sc= 0.438 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.00448 (180deg=0) 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00817 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 40 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-5.1!) USER MOD Single : A 43 ASN : amide:sc= -0.0565 K(o=-0.056,f=-2.2) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -40:sc= -0.101 USER MOD Single : A 51 SER OG : rot -51:sc= 0.0614 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.0274 X(o=0.027,f=0) USER MOD Single : A 71 MET CE :methyl -146:sc= -0.0655 (180deg=-1.73) USER MOD Single : A 77 MET CE :methyl -165:sc= -3.99 (180deg=-4.97!) USER MOD Single : A 82 HIS :FLIP no HE2:sc= -0.864 F(o=-1.7,f=-0.86) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.00429 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.951 -37.566 -13.304 1.00 0.00 N ATOM 2 CA GLY A 1 -11.287 -37.076 -13.586 1.00 0.00 C ATOM 3 C GLY A 1 -11.279 -35.687 -14.193 1.00 0.00 C ATOM 4 O GLY A 1 -10.520 -34.819 -13.762 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.965 -38.128 -12.429 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.626 -38.161 -14.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.303 -36.761 -13.188 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.787 -37.764 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.868 -37.063 -12.664 1.00 0.00 H new ATOM 8 N SER A 2 -12.124 -35.476 -15.196 1.00 0.00 N ATOM 9 CA SER A 2 -12.208 -34.183 -15.867 1.00 0.00 C ATOM 10 C SER A 2 -13.662 -33.780 -16.089 1.00 0.00 C ATOM 11 O SER A 2 -14.563 -34.618 -16.054 1.00 0.00 O ATOM 12 CB SER A 2 -11.469 -34.231 -17.205 1.00 0.00 C ATOM 13 OG SER A 2 -10.065 -34.216 -17.014 1.00 0.00 O ATOM 0 H SER A 2 -12.761 -36.183 -15.563 1.00 0.00 H new ATOM 0 HA SER A 2 -11.737 -33.437 -15.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.755 -35.131 -17.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.765 -33.380 -17.818 1.00 0.00 H new ATOM 0 HG SER A 2 -9.616 -34.249 -17.884 1.00 0.00 H new ATOM 19 N SER A 3 -13.883 -32.489 -16.319 1.00 0.00 N ATOM 20 CA SER A 3 -15.228 -31.972 -16.544 1.00 0.00 C ATOM 21 C SER A 3 -15.181 -30.515 -16.995 1.00 0.00 C ATOM 22 O SER A 3 -14.113 -29.910 -17.068 1.00 0.00 O ATOM 23 CB SER A 3 -16.065 -32.097 -15.269 1.00 0.00 C ATOM 24 OG SER A 3 -15.773 -31.047 -14.363 1.00 0.00 O ATOM 0 H SER A 3 -13.148 -31.782 -16.354 1.00 0.00 H new ATOM 0 HA SER A 3 -15.691 -32.564 -17.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.125 -32.079 -15.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.868 -33.058 -14.793 1.00 0.00 H new ATOM 0 HG SER A 3 -16.322 -31.148 -13.557 1.00 0.00 H new ATOM 30 N GLY A 4 -16.350 -29.958 -17.296 1.00 0.00 N ATOM 31 CA GLY A 4 -16.422 -28.577 -17.736 1.00 0.00 C ATOM 32 C GLY A 4 -16.926 -27.647 -16.650 1.00 0.00 C ATOM 33 O GLY A 4 -17.767 -28.030 -15.837 1.00 0.00 O ATOM 0 H GLY A 4 -17.248 -30.438 -17.243 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.434 -28.250 -18.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.080 -28.509 -18.602 1.00 0.00 H new ATOM 37 N SER A 5 -16.409 -26.423 -16.634 1.00 0.00 N ATOM 38 CA SER A 5 -16.807 -25.438 -15.636 1.00 0.00 C ATOM 39 C SER A 5 -16.371 -24.036 -16.052 1.00 0.00 C ATOM 40 O SER A 5 -15.604 -23.868 -17.000 1.00 0.00 O ATOM 41 CB SER A 5 -16.205 -25.789 -14.274 1.00 0.00 C ATOM 42 OG SER A 5 -14.799 -25.617 -14.278 1.00 0.00 O ATOM 0 H SER A 5 -15.713 -26.090 -17.301 1.00 0.00 H new ATOM 0 HA SER A 5 -17.894 -25.453 -15.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.649 -25.159 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.447 -26.821 -14.021 1.00 0.00 H new ATOM 0 HG SER A 5 -14.439 -25.846 -13.396 1.00 0.00 H new ATOM 48 N SER A 6 -16.865 -23.032 -15.335 1.00 0.00 N ATOM 49 CA SER A 6 -16.531 -21.644 -15.630 1.00 0.00 C ATOM 50 C SER A 6 -17.091 -20.711 -14.562 1.00 0.00 C ATOM 51 O SER A 6 -18.047 -21.049 -13.865 1.00 0.00 O ATOM 52 CB SER A 6 -17.073 -21.248 -17.005 1.00 0.00 C ATOM 53 OG SER A 6 -16.437 -20.077 -17.486 1.00 0.00 O ATOM 0 H SER A 6 -17.498 -23.154 -14.545 1.00 0.00 H new ATOM 0 HA SER A 6 -15.445 -21.551 -15.635 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.918 -22.065 -17.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.148 -21.082 -16.941 1.00 0.00 H new ATOM 0 HG SER A 6 -16.800 -19.846 -18.367 1.00 0.00 H new ATOM 59 N GLY A 7 -16.487 -19.532 -14.438 1.00 0.00 N ATOM 60 CA GLY A 7 -16.938 -18.567 -13.452 1.00 0.00 C ATOM 61 C GLY A 7 -15.903 -18.313 -12.374 1.00 0.00 C ATOM 62 O GLY A 7 -15.849 -19.030 -11.376 1.00 0.00 O ATOM 0 H GLY A 7 -15.694 -19.229 -15.003 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.177 -17.628 -13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.858 -18.926 -12.991 1.00 0.00 H new ATOM 66 N MET A 8 -15.080 -17.290 -12.576 1.00 0.00 N ATOM 67 CA MET A 8 -14.041 -16.943 -11.613 1.00 0.00 C ATOM 68 C MET A 8 -13.926 -15.430 -11.458 1.00 0.00 C ATOM 69 O MET A 8 -14.074 -14.686 -12.427 1.00 0.00 O ATOM 70 CB MET A 8 -12.696 -17.526 -12.049 1.00 0.00 C ATOM 71 CG MET A 8 -11.770 -17.854 -10.889 1.00 0.00 C ATOM 72 SD MET A 8 -10.483 -19.034 -11.338 1.00 0.00 S ATOM 73 CE MET A 8 -9.024 -18.190 -10.733 1.00 0.00 C ATOM 0 H MET A 8 -15.112 -16.687 -13.398 1.00 0.00 H new ATOM 0 HA MET A 8 -14.318 -17.369 -10.649 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.873 -18.432 -12.629 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.199 -16.816 -12.710 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.306 -16.936 -10.529 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.357 -18.259 -10.064 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.142 -18.797 -10.937 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.927 -17.227 -11.234 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.114 -18.032 -9.658 1.00 0.00 H new ATOM 83 N GLU A 9 -13.663 -14.983 -10.234 1.00 0.00 N ATOM 84 CA GLU A 9 -13.530 -13.558 -9.955 1.00 0.00 C ATOM 85 C GLU A 9 -12.061 -13.162 -9.836 1.00 0.00 C ATOM 86 O GLU A 9 -11.212 -13.983 -9.491 1.00 0.00 O ATOM 87 CB GLU A 9 -14.272 -13.197 -8.666 1.00 0.00 C ATOM 88 CG GLU A 9 -13.564 -13.663 -7.405 1.00 0.00 C ATOM 89 CD GLU A 9 -14.296 -13.255 -6.141 1.00 0.00 C ATOM 90 OE1 GLU A 9 -14.271 -12.053 -5.802 1.00 0.00 O ATOM 91 OE2 GLU A 9 -14.893 -14.138 -5.491 1.00 0.00 O ATOM 0 H GLU A 9 -13.538 -15.586 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.971 -13.008 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.401 -12.116 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.269 -13.636 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.464 -14.748 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.555 -13.251 -7.386 1.00 0.00 H new ATOM 98 N GLU A 10 -11.770 -11.897 -10.126 1.00 0.00 N ATOM 99 CA GLU A 10 -10.404 -11.392 -10.053 1.00 0.00 C ATOM 100 C GLU A 10 -10.355 -10.062 -9.307 1.00 0.00 C ATOM 101 O GLU A 10 -11.390 -9.479 -8.985 1.00 0.00 O ATOM 102 CB GLU A 10 -9.824 -11.223 -11.459 1.00 0.00 C ATOM 103 CG GLU A 10 -9.394 -12.531 -12.101 1.00 0.00 C ATOM 104 CD GLU A 10 -9.506 -12.502 -13.613 1.00 0.00 C ATOM 105 OE1 GLU A 10 -10.391 -11.788 -14.130 1.00 0.00 O ATOM 106 OE2 GLU A 10 -8.708 -13.194 -14.280 1.00 0.00 O ATOM 0 H GLU A 10 -12.461 -11.204 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.804 -12.118 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.568 -10.743 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.966 -10.552 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.363 -12.748 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.008 -13.343 -11.710 1.00 0.00 H new ATOM 113 N VAL A 11 -9.143 -9.589 -9.033 1.00 0.00 N ATOM 114 CA VAL A 11 -8.957 -8.328 -8.325 1.00 0.00 C ATOM 115 C VAL A 11 -7.779 -7.546 -8.895 1.00 0.00 C ATOM 116 O VAL A 11 -6.744 -8.122 -9.233 1.00 0.00 O ATOM 117 CB VAL A 11 -8.726 -8.558 -6.820 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.466 -9.379 -6.592 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.646 -7.229 -6.084 1.00 0.00 C ATOM 0 H VAL A 11 -8.276 -10.060 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.872 -7.751 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.573 -9.118 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.319 -9.531 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.567 -10.346 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.607 -8.849 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.483 -7.411 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.819 -6.641 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.579 -6.682 -6.219 1.00 0.00 H new ATOM 129 N ILE A 12 -7.943 -6.231 -8.999 1.00 0.00 N ATOM 130 CA ILE A 12 -6.892 -5.370 -9.527 1.00 0.00 C ATOM 131 C ILE A 12 -6.199 -4.600 -8.408 1.00 0.00 C ATOM 132 O ILE A 12 -6.752 -3.644 -7.865 1.00 0.00 O ATOM 133 CB ILE A 12 -7.449 -4.369 -10.556 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.376 -5.081 -11.543 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.310 -3.680 -11.294 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.107 -4.138 -12.473 1.00 0.00 C ATOM 0 H ILE A 12 -8.793 -5.739 -8.725 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.169 -6.020 -10.020 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.026 -3.610 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.791 -5.783 -12.137 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.106 -5.667 -10.985 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.719 -2.975 -12.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.685 -3.144 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.709 -4.426 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.746 -4.712 -13.145 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.719 -3.452 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.383 -3.570 -13.058 1.00 0.00 H new ATOM 148 N TRP A 13 -4.985 -5.022 -8.071 1.00 0.00 N ATOM 149 CA TRP A 13 -4.215 -4.370 -7.018 1.00 0.00 C ATOM 150 C TRP A 13 -3.572 -3.086 -7.529 1.00 0.00 C ATOM 151 O TRP A 13 -2.686 -3.122 -8.382 1.00 0.00 O ATOM 152 CB TRP A 13 -3.139 -5.317 -6.485 1.00 0.00 C ATOM 153 CG TRP A 13 -3.698 -6.517 -5.783 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.331 -7.582 -6.358 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.677 -6.773 -4.374 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.704 -8.485 -5.392 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.314 -8.012 -4.167 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.180 -6.078 -3.269 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.466 -8.567 -2.899 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.333 -6.629 -2.011 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.971 -7.864 -1.834 1.00 0.00 C ATOM 0 H TRP A 13 -4.513 -5.812 -8.511 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.898 -4.114 -6.208 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.514 -5.649 -7.314 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.493 -4.771 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.512 -7.697 -7.416 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.192 -9.365 -5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.685 -5.127 -3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.957 -9.519 -2.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.954 -6.099 -1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.074 -8.269 -0.838 1.00 0.00 H new ATOM 172 N GLU A 14 -4.025 -1.952 -7.003 1.00 0.00 N ATOM 173 CA GLU A 14 -3.492 -0.656 -7.408 1.00 0.00 C ATOM 174 C GLU A 14 -2.466 -0.150 -6.399 1.00 0.00 C ATOM 175 O GLU A 14 -2.616 -0.348 -5.194 1.00 0.00 O ATOM 176 CB GLU A 14 -4.624 0.362 -7.555 1.00 0.00 C ATOM 177 CG GLU A 14 -5.668 -0.032 -8.587 1.00 0.00 C ATOM 178 CD GLU A 14 -5.357 0.512 -9.968 1.00 0.00 C ATOM 179 OE1 GLU A 14 -4.855 1.652 -10.058 1.00 0.00 O ATOM 180 OE2 GLU A 14 -5.615 -0.203 -10.959 1.00 0.00 O ATOM 0 H GLU A 14 -4.759 -1.904 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.997 -0.780 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.112 0.492 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.199 1.327 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.734 -1.119 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.644 0.333 -8.268 1.00 0.00 H new ATOM 187 N GLN A 15 -1.423 0.504 -6.901 1.00 0.00 N ATOM 188 CA GLN A 15 -0.372 1.037 -6.043 1.00 0.00 C ATOM 189 C GLN A 15 -0.646 2.495 -5.689 1.00 0.00 C ATOM 190 O GLN A 15 -1.232 3.237 -6.477 1.00 0.00 O ATOM 191 CB GLN A 15 0.989 0.915 -6.732 1.00 0.00 C ATOM 192 CG GLN A 15 1.733 -0.364 -6.386 1.00 0.00 C ATOM 193 CD GLN A 15 3.061 -0.481 -7.108 1.00 0.00 C ATOM 194 OE1 GLN A 15 3.063 -0.166 -8.398 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 4.074 -0.849 -6.513 1.00 0.00 N flip ATOM 0 H GLN A 15 -1.284 0.677 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.359 0.454 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.846 0.962 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.605 1.770 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.904 -0.400 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.110 -1.222 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.027 -1.081 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.961 -0.922 -7.012 1.00 0.00 H new ATOM 204 N TYR A 16 -0.218 2.899 -4.498 1.00 0.00 N ATOM 205 CA TYR A 16 -0.420 4.268 -4.037 1.00 0.00 C ATOM 206 C TYR A 16 0.870 4.845 -3.462 1.00 0.00 C ATOM 207 O TYR A 16 1.421 4.322 -2.492 1.00 0.00 O ATOM 208 CB TYR A 16 -1.528 4.316 -2.983 1.00 0.00 C ATOM 209 CG TYR A 16 -2.896 3.971 -3.527 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.214 2.667 -3.885 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.869 4.950 -3.684 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.463 2.347 -4.383 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.121 4.639 -4.180 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.413 3.337 -4.528 1.00 0.00 C ATOM 215 OH TYR A 16 -6.658 3.024 -5.024 1.00 0.00 O ATOM 0 H TYR A 16 0.271 2.298 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.717 4.873 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.282 3.625 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.561 5.315 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.473 1.890 -3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.643 5.971 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.694 1.328 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.867 5.412 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.208 3.834 -5.062 1.00 0.00 H new ATOM 225 N THR A 17 1.347 5.929 -4.066 1.00 0.00 N ATOM 226 CA THR A 17 2.572 6.578 -3.615 1.00 0.00 C ATOM 227 C THR A 17 2.265 7.867 -2.861 1.00 0.00 C ATOM 228 O THR A 17 2.005 8.906 -3.467 1.00 0.00 O ATOM 229 CB THR A 17 3.505 6.899 -4.798 1.00 0.00 C ATOM 230 OG1 THR A 17 3.711 5.725 -5.592 1.00 0.00 O ATOM 231 CG2 THR A 17 4.844 7.424 -4.303 1.00 0.00 C ATOM 0 H THR A 17 0.904 6.376 -4.869 1.00 0.00 H new ATOM 0 HA THR A 17 3.073 5.879 -2.946 1.00 0.00 H new ATOM 0 HB THR A 17 3.033 7.670 -5.407 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.304 5.938 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.486 7.644 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.686 8.334 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.320 6.671 -3.675 1.00 0.00 H new ATOM 239 N VAL A 18 2.298 7.793 -1.534 1.00 0.00 N ATOM 240 CA VAL A 18 2.025 8.954 -0.696 1.00 0.00 C ATOM 241 C VAL A 18 3.231 9.303 0.169 1.00 0.00 C ATOM 242 O VAL A 18 3.936 8.419 0.657 1.00 0.00 O ATOM 243 CB VAL A 18 0.806 8.716 0.214 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.486 8.982 -0.544 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.826 7.301 0.771 1.00 0.00 C ATOM 0 H VAL A 18 2.511 6.940 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 18 1.810 9.785 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 18 0.857 9.412 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.337 8.809 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.499 10.016 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.549 8.312 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.043 7.150 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.799 6.586 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.736 7.152 1.352 1.00 0.00 H new ATOM 255 N THR A 19 3.464 10.599 0.356 1.00 0.00 N ATOM 256 CA THR A 19 4.585 11.066 1.161 1.00 0.00 C ATOM 257 C THR A 19 4.110 11.591 2.511 1.00 0.00 C ATOM 258 O THR A 19 3.179 12.394 2.584 1.00 0.00 O ATOM 259 CB THR A 19 5.372 12.175 0.439 1.00 0.00 C ATOM 260 OG1 THR A 19 4.523 12.849 -0.497 1.00 0.00 O ATOM 261 CG2 THR A 19 6.578 11.597 -0.287 1.00 0.00 C ATOM 0 H THR A 19 2.890 11.344 -0.040 1.00 0.00 H new ATOM 0 HA THR A 19 5.241 10.210 1.317 1.00 0.00 H new ATOM 0 HB THR A 19 5.724 12.886 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.031 13.554 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.119 12.399 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.237 11.110 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.243 10.867 -1.024 1.00 0.00 H new ATOM 269 N LEU A 20 4.757 11.136 3.579 1.00 0.00 N ATOM 270 CA LEU A 20 4.401 11.561 4.928 1.00 0.00 C ATOM 271 C LEU A 20 5.452 12.511 5.494 1.00 0.00 C ATOM 272 O LEU A 20 6.648 12.340 5.257 1.00 0.00 O ATOM 273 CB LEU A 20 4.249 10.346 5.844 1.00 0.00 C ATOM 274 CG LEU A 20 3.419 9.188 5.289 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.854 7.872 5.915 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.936 9.430 5.531 1.00 0.00 C ATOM 0 H LEU A 20 5.531 10.473 3.536 1.00 0.00 H new ATOM 0 HA LEU A 20 3.449 12.090 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.244 9.971 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.797 10.675 6.780 1.00 0.00 H new ATOM 0 HG LEU A 20 3.587 9.129 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.252 7.059 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.906 7.693 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.716 7.920 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.361 8.596 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.751 9.516 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.632 10.352 5.035 1.00 0.00 H new ATOM 288 N GLN A 21 4.998 13.508 6.246 1.00 0.00 N ATOM 289 CA GLN A 21 5.900 14.484 6.847 1.00 0.00 C ATOM 290 C GLN A 21 6.175 14.142 8.308 1.00 0.00 C ATOM 291 O GLN A 21 5.253 13.874 9.078 1.00 0.00 O ATOM 292 CB GLN A 21 5.307 15.890 6.743 1.00 0.00 C ATOM 293 CG GLN A 21 5.064 16.343 5.312 1.00 0.00 C ATOM 294 CD GLN A 21 4.320 17.662 5.237 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.123 17.698 4.952 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.028 18.757 5.492 1.00 0.00 N ATOM 0 H GLN A 21 4.011 13.662 6.454 1.00 0.00 H new ATOM 0 HA GLN A 21 6.843 14.454 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.364 15.919 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.980 16.596 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.020 16.440 4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.494 15.578 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.018 18.681 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.581 19.673 5.456 1.00 0.00 H new ATOM 305 N LYS A 22 7.450 14.152 8.682 1.00 0.00 N ATOM 306 CA LYS A 22 7.848 13.844 10.051 1.00 0.00 C ATOM 307 C LYS A 22 7.315 14.893 11.021 1.00 0.00 C ATOM 308 O LYS A 22 7.981 15.890 11.301 1.00 0.00 O ATOM 309 CB LYS A 22 9.373 13.767 10.154 1.00 0.00 C ATOM 310 CG LYS A 22 9.862 12.763 11.184 1.00 0.00 C ATOM 311 CD LYS A 22 11.190 12.147 10.776 1.00 0.00 C ATOM 312 CE LYS A 22 11.339 10.734 11.317 1.00 0.00 C ATOM 313 NZ LYS A 22 11.922 10.723 12.687 1.00 0.00 N ATOM 0 H LYS A 22 8.226 14.370 8.056 1.00 0.00 H new ATOM 0 HA LYS A 22 7.422 12.877 10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.782 13.503 9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.762 14.753 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.970 13.255 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.118 11.976 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.266 12.131 9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.008 12.767 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.364 10.247 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.974 10.154 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.007 9.741 13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.863 11.165 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.303 11.255 13.332 1.00 0.00 H new ATOM 327 N ASP A 23 6.111 14.661 11.533 1.00 0.00 N ATOM 328 CA ASP A 23 5.490 15.584 12.475 1.00 0.00 C ATOM 329 C ASP A 23 6.398 15.829 13.676 1.00 0.00 C ATOM 330 O ASP A 23 7.368 15.103 13.891 1.00 0.00 O ATOM 331 CB ASP A 23 4.141 15.036 12.945 1.00 0.00 C ATOM 332 CG ASP A 23 3.243 16.118 13.512 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.756 16.957 12.726 1.00 0.00 O ATOM 334 OD2 ASP A 23 3.027 16.126 14.742 1.00 0.00 O ATOM 0 H ASP A 23 5.546 13.841 11.311 1.00 0.00 H new ATOM 0 HA ASP A 23 5.331 16.533 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.638 14.551 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.307 14.271 13.704 1.00 0.00 H new ATOM 339 N SER A 24 6.078 16.859 14.453 1.00 0.00 N ATOM 340 CA SER A 24 6.869 17.203 15.629 1.00 0.00 C ATOM 341 C SER A 24 7.218 15.955 16.434 1.00 0.00 C ATOM 342 O SER A 24 8.383 15.569 16.530 1.00 0.00 O ATOM 343 CB SER A 24 6.106 18.195 16.510 1.00 0.00 C ATOM 344 OG SER A 24 4.788 17.743 16.763 1.00 0.00 O ATOM 0 H SER A 24 5.277 17.469 14.290 1.00 0.00 H new ATOM 0 HA SER A 24 7.796 17.666 15.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.635 18.330 17.453 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.072 19.169 16.022 1.00 0.00 H new ATOM 0 HG SER A 24 4.322 18.393 17.329 1.00 0.00 H new ATOM 350 N LYS A 25 6.199 15.327 17.011 1.00 0.00 N ATOM 351 CA LYS A 25 6.394 14.122 17.808 1.00 0.00 C ATOM 352 C LYS A 25 5.828 12.900 17.092 1.00 0.00 C ATOM 353 O LYS A 25 6.218 11.767 17.375 1.00 0.00 O ATOM 354 CB LYS A 25 5.730 14.277 19.178 1.00 0.00 C ATOM 355 CG LYS A 25 6.648 14.867 20.235 1.00 0.00 C ATOM 356 CD LYS A 25 7.651 13.842 20.737 1.00 0.00 C ATOM 357 CE LYS A 25 8.145 14.184 22.134 1.00 0.00 C ATOM 358 NZ LYS A 25 9.501 13.625 22.395 1.00 0.00 N ATOM 0 H LYS A 25 5.229 15.633 16.941 1.00 0.00 H new ATOM 0 HA LYS A 25 7.466 13.977 17.946 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.851 14.913 19.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.381 13.301 19.516 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.179 15.724 19.820 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.053 15.235 21.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.191 12.854 20.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.498 13.794 20.052 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.169 15.267 22.256 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.444 13.796 22.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.802 13.880 23.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.473 12.589 22.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.176 14.015 21.706 1.00 0.00 H new ATOM 372 N ARG A 26 4.907 13.137 16.164 1.00 0.00 N ATOM 373 CA ARG A 26 4.287 12.055 15.409 1.00 0.00 C ATOM 374 C ARG A 26 4.813 12.021 13.977 1.00 0.00 C ATOM 375 O ARG A 26 4.047 12.125 13.020 1.00 0.00 O ATOM 376 CB ARG A 26 2.766 12.216 15.400 1.00 0.00 C ATOM 377 CG ARG A 26 2.170 12.440 16.780 1.00 0.00 C ATOM 378 CD ARG A 26 2.110 11.147 17.579 1.00 0.00 C ATOM 379 NE ARG A 26 1.318 11.293 18.797 1.00 0.00 N ATOM 380 CZ ARG A 26 1.169 10.326 19.696 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.756 9.151 19.515 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.432 10.534 20.780 1.00 0.00 N ATOM 0 H ARG A 26 4.574 14.069 15.917 1.00 0.00 H new ATOM 0 HA ARG A 26 4.543 11.114 15.895 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.502 13.057 14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.317 11.326 14.960 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.767 13.175 17.320 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.167 12.854 16.681 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.682 10.358 16.961 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.121 10.834 17.839 1.00 0.00 H new ATOM 0 HE ARG A 26 0.854 12.185 18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.324 8.987 18.684 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.640 8.411 20.207 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.021 11.437 20.923 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.318 9.791 21.470 1.00 0.00 H new ATOM 396 N GLY A 27 6.128 11.875 13.838 1.00 0.00 N ATOM 397 CA GLY A 27 6.734 11.831 12.520 1.00 0.00 C ATOM 398 C GLY A 27 5.761 11.378 11.449 1.00 0.00 C ATOM 399 O GLY A 27 5.071 12.197 10.842 1.00 0.00 O ATOM 0 H GLY A 27 6.784 11.787 14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.115 12.820 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.589 11.155 12.539 1.00 0.00 H new ATOM 403 N PHE A 28 5.707 10.071 11.215 1.00 0.00 N ATOM 404 CA PHE A 28 4.814 9.511 10.208 1.00 0.00 C ATOM 405 C PHE A 28 3.572 8.908 10.858 1.00 0.00 C ATOM 406 O PHE A 28 2.747 8.288 10.188 1.00 0.00 O ATOM 407 CB PHE A 28 5.542 8.445 9.386 1.00 0.00 C ATOM 408 CG PHE A 28 6.878 8.896 8.870 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.064 10.197 8.432 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.949 8.018 8.822 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.293 10.614 7.956 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.180 8.429 8.347 1.00 0.00 C ATOM 413 CZ PHE A 28 9.352 9.729 7.914 1.00 0.00 C ATOM 0 H PHE A 28 6.271 9.380 11.709 1.00 0.00 H new ATOM 0 HA PHE A 28 4.501 10.319 9.546 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.680 7.555 10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.914 8.156 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.239 10.894 8.463 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.820 7.000 9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.425 11.631 7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.006 7.734 8.314 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.313 10.053 7.543 1.00 0.00 H new ATOM 423 N GLY A 29 3.446 9.096 12.168 1.00 0.00 N ATOM 424 CA GLY A 29 2.303 8.564 12.887 1.00 0.00 C ATOM 425 C GLY A 29 1.807 7.257 12.302 1.00 0.00 C ATOM 426 O GLY A 29 0.616 7.104 12.030 1.00 0.00 O ATOM 0 H GLY A 29 4.115 9.607 12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.574 8.411 13.932 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.495 9.295 12.871 1.00 0.00 H new ATOM 430 N ILE A 30 2.722 6.313 12.107 1.00 0.00 N ATOM 431 CA ILE A 30 2.370 5.013 11.550 1.00 0.00 C ATOM 432 C ILE A 30 3.158 3.895 12.224 1.00 0.00 C ATOM 433 O ILE A 30 4.144 4.146 12.915 1.00 0.00 O ATOM 434 CB ILE A 30 2.625 4.963 10.032 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.028 5.482 9.711 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.572 5.774 9.291 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.574 4.973 8.396 1.00 0.00 C ATOM 0 H ILE A 30 3.712 6.424 12.326 1.00 0.00 H new ATOM 0 HA ILE A 30 1.306 4.868 11.736 1.00 0.00 H new ATOM 0 HB ILE A 30 2.557 3.927 9.701 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.007 6.572 9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.706 5.192 10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.766 5.729 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.584 5.363 9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.611 6.811 9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.571 5.381 8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.627 3.885 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.917 5.286 7.584 1.00 0.00 H new ATOM 449 N ALA A 31 2.717 2.658 12.015 1.00 0.00 N ATOM 450 CA ALA A 31 3.384 1.501 12.598 1.00 0.00 C ATOM 451 C ALA A 31 3.260 0.281 11.691 1.00 0.00 C ATOM 452 O ALA A 31 2.225 0.066 11.061 1.00 0.00 O ATOM 453 CB ALA A 31 2.809 1.199 13.974 1.00 0.00 C ATOM 0 H ALA A 31 1.901 2.432 11.446 1.00 0.00 H new ATOM 0 HA ALA A 31 4.443 1.737 12.702 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.316 0.332 14.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.955 2.060 14.626 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.743 0.988 13.885 1.00 0.00 H new ATOM 459 N VAL A 32 4.323 -0.515 11.629 1.00 0.00 N ATOM 460 CA VAL A 32 4.333 -1.714 10.800 1.00 0.00 C ATOM 461 C VAL A 32 4.319 -2.975 11.656 1.00 0.00 C ATOM 462 O VAL A 32 4.844 -2.988 12.769 1.00 0.00 O ATOM 463 CB VAL A 32 5.565 -1.747 9.876 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.417 -0.733 8.752 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.835 -1.490 10.674 1.00 0.00 C ATOM 0 H VAL A 32 5.188 -0.351 12.143 1.00 0.00 H new ATOM 0 HA VAL A 32 3.431 -1.684 10.189 1.00 0.00 H new ATOM 0 HB VAL A 32 5.637 -2.739 9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.297 -0.771 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.529 -0.967 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.319 0.267 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.696 -1.517 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.774 -0.511 11.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.946 -2.258 11.439 1.00 0.00 H new ATOM 475 N SER A 33 3.714 -4.035 11.129 1.00 0.00 N ATOM 476 CA SER A 33 3.628 -5.302 11.847 1.00 0.00 C ATOM 477 C SER A 33 3.732 -6.480 10.883 1.00 0.00 C ATOM 478 O SER A 33 3.081 -6.502 9.839 1.00 0.00 O ATOM 479 CB SER A 33 2.316 -5.381 12.629 1.00 0.00 C ATOM 480 OG SER A 33 2.345 -4.531 13.762 1.00 0.00 O ATOM 0 H SER A 33 3.276 -4.042 10.208 1.00 0.00 H new ATOM 0 HA SER A 33 4.462 -5.353 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.486 -5.100 11.981 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.139 -6.409 12.946 1.00 0.00 H new ATOM 0 HG SER A 33 1.494 -4.599 14.244 1.00 0.00 H new ATOM 486 N GLY A 34 4.556 -7.460 11.242 1.00 0.00 N ATOM 487 CA GLY A 34 4.731 -8.628 10.400 1.00 0.00 C ATOM 488 C GLY A 34 6.166 -8.805 9.945 1.00 0.00 C ATOM 489 O GLY A 34 7.025 -7.975 10.240 1.00 0.00 O ATOM 0 H GLY A 34 5.105 -7.465 12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.414 -9.516 10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.084 -8.543 9.527 1.00 0.00 H new ATOM 493 N GLY A 35 6.427 -9.892 9.225 1.00 0.00 N ATOM 494 CA GLY A 35 7.770 -10.157 8.742 1.00 0.00 C ATOM 495 C GLY A 35 7.910 -11.546 8.152 1.00 0.00 C ATOM 496 O GLY A 35 7.003 -12.371 8.265 1.00 0.00 O ATOM 0 H GLY A 35 5.733 -10.594 8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.034 -9.417 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.478 -10.041 9.563 1.00 0.00 H new ATOM 500 N ARG A 36 9.050 -11.806 7.519 1.00 0.00 N ATOM 501 CA ARG A 36 9.304 -13.104 6.907 1.00 0.00 C ATOM 502 C ARG A 36 9.555 -14.168 7.971 1.00 0.00 C ATOM 503 O ARG A 36 9.558 -15.364 7.679 1.00 0.00 O ATOM 504 CB ARG A 36 10.505 -13.020 5.963 1.00 0.00 C ATOM 505 CG ARG A 36 11.837 -12.878 6.682 1.00 0.00 C ATOM 506 CD ARG A 36 13.004 -13.198 5.762 1.00 0.00 C ATOM 507 NE ARG A 36 13.105 -14.628 5.483 1.00 0.00 N ATOM 508 CZ ARG A 36 13.937 -15.145 4.586 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.736 -14.353 3.884 1.00 0.00 N ATOM 510 NH2 ARG A 36 13.971 -16.457 4.390 1.00 0.00 N ATOM 0 H ARG A 36 9.811 -11.135 7.417 1.00 0.00 H new ATOM 0 HA ARG A 36 8.420 -13.387 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.531 -13.915 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.371 -12.171 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.940 -11.862 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.859 -13.544 7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.887 -12.653 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.931 -12.851 6.219 1.00 0.00 H new ATOM 0 HE ARG A 36 12.504 -15.265 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.713 -13.344 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.374 -14.753 3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.358 -17.069 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.610 -16.853 3.701 1.00 0.00 H new ATOM 524 N ASP A 37 9.764 -13.725 9.206 1.00 0.00 N ATOM 525 CA ASP A 37 10.015 -14.638 10.314 1.00 0.00 C ATOM 526 C ASP A 37 8.874 -14.592 11.325 1.00 0.00 C ATOM 527 O ASP A 37 8.612 -15.569 12.026 1.00 0.00 O ATOM 528 CB ASP A 37 11.336 -14.290 11.002 1.00 0.00 C ATOM 529 CG ASP A 37 11.620 -15.180 12.196 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.194 -16.353 12.175 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.267 -14.702 13.152 1.00 0.00 O ATOM 0 H ASP A 37 9.764 -12.738 9.465 1.00 0.00 H new ATOM 0 HA ASP A 37 10.080 -15.649 9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.151 -14.380 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.310 -13.250 11.326 1.00 0.00 H new ATOM 536 N ASN A 38 8.198 -13.449 11.396 1.00 0.00 N ATOM 537 CA ASN A 38 7.086 -13.275 12.323 1.00 0.00 C ATOM 538 C ASN A 38 5.891 -12.632 11.624 1.00 0.00 C ATOM 539 O ASN A 38 5.499 -11.504 11.924 1.00 0.00 O ATOM 540 CB ASN A 38 7.517 -12.417 13.514 1.00 0.00 C ATOM 541 CG ASN A 38 8.517 -13.127 14.406 1.00 0.00 C ATOM 542 OD1 ASN A 38 9.710 -13.171 14.106 1.00 0.00 O ATOM 543 ND2 ASN A 38 8.033 -13.688 15.508 1.00 0.00 N ATOM 0 H ASN A 38 8.401 -12.630 10.823 1.00 0.00 H new ATOM 0 HA ASN A 38 6.788 -14.260 12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.955 -11.488 13.149 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.639 -12.147 14.100 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.658 -14.181 16.146 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.036 -13.626 15.716 1.00 0.00 H new ATOM 550 N PRO A 39 5.298 -13.365 10.670 1.00 0.00 N ATOM 551 CA PRO A 39 4.140 -12.888 9.910 1.00 0.00 C ATOM 552 C PRO A 39 2.880 -12.803 10.765 1.00 0.00 C ATOM 553 O PRO A 39 2.035 -13.698 10.733 1.00 0.00 O ATOM 554 CB PRO A 39 3.973 -13.945 8.816 1.00 0.00 C ATOM 555 CG PRO A 39 4.581 -15.180 9.386 1.00 0.00 C ATOM 556 CD PRO A 39 5.713 -14.718 10.261 1.00 0.00 C ATOM 0 HA PRO A 39 4.292 -11.879 9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.922 -14.098 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.475 -13.645 7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.848 -15.746 9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.942 -15.838 8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.849 -15.374 11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.659 -14.702 9.719 1.00 0.00 H new ATOM 564 N HIS A 40 2.761 -11.722 11.529 1.00 0.00 N ATOM 565 CA HIS A 40 1.603 -11.520 12.393 1.00 0.00 C ATOM 566 C HIS A 40 0.329 -12.025 11.721 1.00 0.00 C ATOM 567 O HIS A 40 -0.396 -12.847 12.282 1.00 0.00 O ATOM 568 CB HIS A 40 1.454 -10.039 12.745 1.00 0.00 C ATOM 569 CG HIS A 40 0.045 -9.635 13.052 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.913 -10.523 13.493 1.00 0.00 N ATOM 571 CD2 HIS A 40 -0.565 -8.429 12.982 1.00 0.00 C ATOM 572 CE1 HIS A 40 -2.053 -9.881 13.679 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.868 -8.608 13.376 1.00 0.00 N ATOM 0 H HIS A 40 3.452 -10.973 11.568 1.00 0.00 H new ATOM 0 HA HIS A 40 1.761 -12.090 13.309 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.084 -9.814 13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.823 -9.438 11.914 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.765 -11.520 13.651 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.111 -7.499 12.674 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.978 -10.322 14.020 1.00 0.00 H new ATOM 582 N PHE A 41 0.064 -11.528 10.518 1.00 0.00 N ATOM 583 CA PHE A 41 -1.123 -11.928 9.771 1.00 0.00 C ATOM 584 C PHE A 41 -1.487 -13.381 10.064 1.00 0.00 C ATOM 585 O PHE A 41 -0.715 -14.294 9.773 1.00 0.00 O ATOM 586 CB PHE A 41 -0.893 -11.741 8.269 1.00 0.00 C ATOM 587 CG PHE A 41 -1.407 -10.431 7.743 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.686 -9.998 8.052 1.00 0.00 C ATOM 589 CD2 PHE A 41 -0.609 -9.632 6.939 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.161 -8.793 7.570 1.00 0.00 C ATOM 591 CE2 PHE A 41 -1.079 -8.426 6.454 1.00 0.00 C ATOM 592 CZ PHE A 41 -2.357 -8.007 6.769 1.00 0.00 C ATOM 0 H PHE A 41 0.655 -10.848 10.039 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.951 -11.294 10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.175 -11.813 8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.378 -12.555 7.731 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.320 -10.610 8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.391 -9.955 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.160 -8.467 7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.448 -7.812 5.829 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.727 -7.066 6.389 1.00 0.00 H new ATOM 602 N GLU A 42 -2.666 -13.584 10.642 1.00 0.00 N ATOM 603 CA GLU A 42 -3.131 -14.925 10.975 1.00 0.00 C ATOM 604 C GLU A 42 -3.133 -15.823 9.742 1.00 0.00 C ATOM 605 O GLU A 42 -2.982 -17.040 9.846 1.00 0.00 O ATOM 606 CB GLU A 42 -4.536 -14.866 11.579 1.00 0.00 C ATOM 607 CG GLU A 42 -5.560 -14.203 10.673 1.00 0.00 C ATOM 608 CD GLU A 42 -6.976 -14.666 10.957 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.596 -14.137 11.903 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.465 -15.558 10.231 1.00 0.00 O ATOM 0 H GLU A 42 -3.316 -12.838 10.889 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.445 -15.348 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.867 -15.879 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.494 -14.324 12.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.503 -13.122 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.313 -14.418 9.633 1.00 0.00 H new ATOM 617 N ASN A 43 -3.306 -15.214 8.574 1.00 0.00 N ATOM 618 CA ASN A 43 -3.329 -15.957 7.319 1.00 0.00 C ATOM 619 C ASN A 43 -1.940 -16.488 6.976 1.00 0.00 C ATOM 620 O ASN A 43 -1.803 -17.497 6.285 1.00 0.00 O ATOM 621 CB ASN A 43 -3.842 -15.069 6.184 1.00 0.00 C ATOM 622 CG ASN A 43 -5.328 -14.787 6.297 1.00 0.00 C ATOM 623 OD1 ASN A 43 -5.953 -15.089 7.314 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.901 -14.205 5.250 1.00 0.00 N ATOM 0 H ASN A 43 -3.432 -14.207 8.470 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.004 -16.805 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.295 -14.126 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.638 -15.552 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.898 -13.991 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.344 -13.972 4.428 1.00 0.00 H new ATOM 631 N GLY A 44 -0.912 -15.801 7.465 1.00 0.00 N ATOM 632 CA GLY A 44 0.452 -16.218 7.201 1.00 0.00 C ATOM 633 C GLY A 44 1.152 -15.314 6.206 1.00 0.00 C ATOM 634 O GLY A 44 2.137 -15.711 5.584 1.00 0.00 O ATOM 0 H GLY A 44 -1.000 -14.963 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.013 -16.228 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.449 -17.239 6.820 1.00 0.00 H new ATOM 638 N GLU A 45 0.642 -14.096 6.054 1.00 0.00 N ATOM 639 CA GLU A 45 1.224 -13.134 5.126 1.00 0.00 C ATOM 640 C GLU A 45 2.492 -12.515 5.708 1.00 0.00 C ATOM 641 O GLU A 45 2.482 -11.974 6.814 1.00 0.00 O ATOM 642 CB GLU A 45 0.212 -12.035 4.794 1.00 0.00 C ATOM 643 CG GLU A 45 0.832 -10.821 4.122 1.00 0.00 C ATOM 644 CD GLU A 45 -0.170 -10.039 3.294 1.00 0.00 C ATOM 645 OE1 GLU A 45 -1.282 -9.780 3.799 1.00 0.00 O ATOM 646 OE2 GLU A 45 0.159 -9.685 2.143 1.00 0.00 O ATOM 0 H GLU A 45 -0.173 -13.752 6.562 1.00 0.00 H new ATOM 0 HA GLU A 45 1.487 -13.664 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.559 -12.447 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.283 -11.719 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.258 -10.167 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.653 -11.144 3.482 1.00 0.00 H new ATOM 653 N THR A 46 3.584 -12.599 4.954 1.00 0.00 N ATOM 654 CA THR A 46 4.860 -12.049 5.394 1.00 0.00 C ATOM 655 C THR A 46 5.149 -10.716 4.713 1.00 0.00 C ATOM 656 O THR A 46 6.229 -10.513 4.159 1.00 0.00 O ATOM 657 CB THR A 46 6.019 -13.021 5.107 1.00 0.00 C ATOM 658 OG1 THR A 46 5.991 -13.426 3.734 1.00 0.00 O ATOM 659 CG2 THR A 46 5.932 -14.247 6.004 1.00 0.00 C ATOM 0 H THR A 46 3.610 -13.043 4.036 1.00 0.00 H new ATOM 0 HA THR A 46 4.783 -11.894 6.470 1.00 0.00 H new ATOM 0 HB THR A 46 6.956 -12.504 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.732 -14.043 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.761 -14.919 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.984 -13.938 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.989 -14.763 5.824 1.00 0.00 H new ATOM 667 N SER A 47 4.177 -9.811 4.758 1.00 0.00 N ATOM 668 CA SER A 47 4.326 -8.498 4.142 1.00 0.00 C ATOM 669 C SER A 47 4.197 -7.391 5.184 1.00 0.00 C ATOM 670 O SER A 47 3.279 -7.399 6.004 1.00 0.00 O ATOM 671 CB SER A 47 3.279 -8.304 3.043 1.00 0.00 C ATOM 672 OG SER A 47 2.097 -7.719 3.563 1.00 0.00 O ATOM 0 H SER A 47 3.278 -9.963 5.215 1.00 0.00 H new ATOM 0 HA SER A 47 5.321 -8.443 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.687 -7.670 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.043 -9.266 2.587 1.00 0.00 H new ATOM 0 HG SER A 47 1.897 -8.109 4.439 1.00 0.00 H new ATOM 678 N ILE A 48 5.124 -6.439 5.145 1.00 0.00 N ATOM 679 CA ILE A 48 5.114 -5.325 6.084 1.00 0.00 C ATOM 680 C ILE A 48 3.888 -4.442 5.877 1.00 0.00 C ATOM 681 O ILE A 48 3.904 -3.520 5.062 1.00 0.00 O ATOM 682 CB ILE A 48 6.383 -4.462 5.948 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.580 -5.174 6.581 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.168 -3.100 6.591 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.456 -6.682 6.581 1.00 0.00 C ATOM 0 H ILE A 48 5.891 -6.418 4.473 1.00 0.00 H new ATOM 0 HA ILE A 48 5.083 -5.757 7.084 1.00 0.00 H new ATOM 0 HB ILE A 48 6.592 -4.313 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.486 -4.892 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.697 -4.827 7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.073 -2.502 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.339 -2.592 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.938 -3.229 7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.340 -7.120 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.569 -6.974 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.370 -7.040 5.555 1.00 0.00 H new ATOM 697 N VAL A 49 2.825 -4.730 6.622 1.00 0.00 N ATOM 698 CA VAL A 49 1.591 -3.961 6.522 1.00 0.00 C ATOM 699 C VAL A 49 1.475 -2.958 7.665 1.00 0.00 C ATOM 700 O VAL A 49 2.014 -3.173 8.750 1.00 0.00 O ATOM 701 CB VAL A 49 0.354 -4.880 6.533 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.047 -5.252 5.114 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.624 -6.125 7.364 1.00 0.00 C ATOM 0 H VAL A 49 2.794 -5.490 7.301 1.00 0.00 H new ATOM 0 HA VAL A 49 1.628 -3.425 5.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.476 -4.340 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.922 -5.901 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.284 -4.347 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.777 -5.774 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.260 -6.763 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.467 -6.670 6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.859 -5.835 8.388 1.00 0.00 H new ATOM 713 N ILE A 50 0.767 -1.862 7.413 1.00 0.00 N ATOM 714 CA ILE A 50 0.579 -0.826 8.421 1.00 0.00 C ATOM 715 C ILE A 50 -0.590 -1.161 9.341 1.00 0.00 C ATOM 716 O ILE A 50 -1.752 -1.067 8.946 1.00 0.00 O ATOM 717 CB ILE A 50 0.331 0.550 7.774 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.603 1.052 7.088 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.142 1.549 8.820 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.501 1.862 7.997 1.00 0.00 C ATOM 0 H ILE A 50 0.314 -1.669 6.520 1.00 0.00 H new ATOM 0 HA ILE A 50 1.498 -0.783 9.006 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.449 0.445 7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.162 0.197 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.326 1.661 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.313 2.516 8.348 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.070 1.195 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.618 1.652 9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.383 2.185 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.960 2.736 8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.808 1.250 8.845 1.00 0.00 H new ATOM 732 N SER A 51 -0.274 -1.550 10.572 1.00 0.00 N ATOM 733 CA SER A 51 -1.297 -1.900 11.550 1.00 0.00 C ATOM 734 C SER A 51 -1.601 -0.719 12.466 1.00 0.00 C ATOM 735 O SER A 51 -2.180 -0.885 13.540 1.00 0.00 O ATOM 736 CB SER A 51 -0.848 -3.103 12.381 1.00 0.00 C ATOM 737 OG SER A 51 -1.959 -3.772 12.953 1.00 0.00 O ATOM 0 H SER A 51 0.683 -1.631 10.916 1.00 0.00 H new ATOM 0 HA SER A 51 -2.207 -2.160 11.009 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.288 -3.795 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.173 -2.772 13.170 1.00 0.00 H new ATOM 0 HG SER A 51 -2.526 -3.124 13.421 1.00 0.00 H new ATOM 743 N ASP A 52 -1.205 0.473 12.034 1.00 0.00 N ATOM 744 CA ASP A 52 -1.435 1.684 12.814 1.00 0.00 C ATOM 745 C ASP A 52 -1.299 2.927 11.940 1.00 0.00 C ATOM 746 O ASP A 52 -0.255 3.160 11.332 1.00 0.00 O ATOM 747 CB ASP A 52 -0.452 1.757 13.983 1.00 0.00 C ATOM 748 CG ASP A 52 -0.472 0.504 14.836 1.00 0.00 C ATOM 749 OD1 ASP A 52 0.081 -0.524 14.391 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.041 0.550 15.946 1.00 0.00 O ATOM 0 H ASP A 52 -0.723 0.627 11.148 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.451 1.647 13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.555 1.914 13.597 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.694 2.620 14.604 1.00 0.00 H new ATOM 755 N VAL A 53 -2.363 3.723 11.883 1.00 0.00 N ATOM 756 CA VAL A 53 -2.362 4.942 11.083 1.00 0.00 C ATOM 757 C VAL A 53 -2.949 6.112 11.866 1.00 0.00 C ATOM 758 O VAL A 53 -4.164 6.313 11.886 1.00 0.00 O ATOM 759 CB VAL A 53 -3.161 4.759 9.780 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.403 6.102 9.108 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.437 3.807 8.840 1.00 0.00 C ATOM 0 H VAL A 53 -3.235 3.545 12.381 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.323 5.158 10.835 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.129 4.324 10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.969 5.952 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.967 6.749 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.446 6.569 8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.016 3.689 7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.454 4.212 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.321 2.837 9.323 1.00 0.00 H new ATOM 771 N LEU A 54 -2.078 6.882 12.509 1.00 0.00 N ATOM 772 CA LEU A 54 -2.509 8.034 13.294 1.00 0.00 C ATOM 773 C LEU A 54 -3.732 8.694 12.665 1.00 0.00 C ATOM 774 O LEU A 54 -3.646 9.364 11.636 1.00 0.00 O ATOM 775 CB LEU A 54 -1.371 9.050 13.412 1.00 0.00 C ATOM 776 CG LEU A 54 -1.345 9.881 14.695 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.157 8.985 15.909 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.244 10.930 14.628 1.00 0.00 C ATOM 0 H LEU A 54 -1.069 6.730 12.502 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.780 7.684 14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.424 8.516 13.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.429 9.731 12.563 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.302 10.393 14.793 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.141 9.595 16.812 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.980 8.273 15.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.215 8.444 15.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.240 11.512 15.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.721 10.438 14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.423 11.592 13.781 1.00 0.00 H new ATOM 790 N PRO A 55 -4.899 8.504 13.298 1.00 0.00 N ATOM 791 CA PRO A 55 -6.161 9.075 12.821 1.00 0.00 C ATOM 792 C PRO A 55 -6.209 10.590 12.981 1.00 0.00 C ATOM 793 O PRO A 55 -7.201 11.230 12.634 1.00 0.00 O ATOM 794 CB PRO A 55 -7.212 8.409 13.713 1.00 0.00 C ATOM 795 CG PRO A 55 -6.478 8.048 14.958 1.00 0.00 C ATOM 796 CD PRO A 55 -5.075 7.716 14.530 1.00 0.00 C ATOM 0 HA PRO A 55 -6.312 8.897 11.756 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.039 9.087 13.924 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.637 7.527 13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.484 8.875 15.668 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.946 7.198 15.454 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.346 7.993 15.292 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.953 6.649 14.345 1.00 0.00 H new ATOM 804 N GLY A 56 -5.131 11.160 13.511 1.00 0.00 N ATOM 805 CA GLY A 56 -5.071 12.596 13.708 1.00 0.00 C ATOM 806 C GLY A 56 -3.727 13.179 13.319 1.00 0.00 C ATOM 807 O GLY A 56 -3.448 14.347 13.588 1.00 0.00 O ATOM 0 H GLY A 56 -4.298 10.652 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.855 13.073 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.274 12.825 14.754 1.00 0.00 H new ATOM 811 N GLY A 57 -2.890 12.363 12.684 1.00 0.00 N ATOM 812 CA GLY A 57 -1.578 12.822 12.270 1.00 0.00 C ATOM 813 C GLY A 57 -1.456 12.946 10.764 1.00 0.00 C ATOM 814 O GLY A 57 -2.447 13.091 10.049 1.00 0.00 O ATOM 0 H GLY A 57 -3.098 11.392 12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.373 13.789 12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.821 12.129 12.637 1.00 0.00 H new ATOM 818 N PRO A 58 -0.214 12.889 10.260 1.00 0.00 N ATOM 819 CA PRO A 58 0.064 12.995 8.825 1.00 0.00 C ATOM 820 C PRO A 58 -0.411 11.770 8.051 1.00 0.00 C ATOM 821 O PRO A 58 -0.805 11.872 6.890 1.00 0.00 O ATOM 822 CB PRO A 58 1.590 13.107 8.766 1.00 0.00 C ATOM 823 CG PRO A 58 2.066 12.446 10.013 1.00 0.00 C ATOM 824 CD PRO A 58 1.015 12.718 11.054 1.00 0.00 C ATOM 0 HA PRO A 58 -0.456 13.838 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.989 12.614 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.909 14.148 8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.197 11.375 9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.033 12.844 10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.926 11.893 11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.246 13.611 11.635 1.00 0.00 H new ATOM 832 N ALA A 59 -0.371 10.612 8.702 1.00 0.00 N ATOM 833 CA ALA A 59 -0.799 9.368 8.075 1.00 0.00 C ATOM 834 C ALA A 59 -2.294 9.392 7.774 1.00 0.00 C ATOM 835 O ALA A 59 -2.723 9.010 6.685 1.00 0.00 O ATOM 836 CB ALA A 59 -0.458 8.183 8.966 1.00 0.00 C ATOM 0 H ALA A 59 -0.046 10.510 9.664 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.265 9.264 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.783 7.261 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.619 8.147 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.965 8.291 9.925 1.00 0.00 H new ATOM 842 N ASP A 60 -3.081 9.842 8.744 1.00 0.00 N ATOM 843 CA ASP A 60 -4.529 9.916 8.582 1.00 0.00 C ATOM 844 C ASP A 60 -4.894 10.537 7.237 1.00 0.00 C ATOM 845 O ASP A 60 -5.048 11.752 7.124 1.00 0.00 O ATOM 846 CB ASP A 60 -5.150 10.729 9.719 1.00 0.00 C ATOM 847 CG ASP A 60 -6.408 11.458 9.289 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.397 10.779 8.944 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.403 12.707 9.297 1.00 0.00 O ATOM 0 H ASP A 60 -2.741 10.161 9.651 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.926 8.901 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.385 10.065 10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.421 11.452 10.085 1.00 0.00 H new ATOM 854 N GLY A 61 -5.031 9.693 6.219 1.00 0.00 N ATOM 855 CA GLY A 61 -5.375 10.177 4.895 1.00 0.00 C ATOM 856 C GLY A 61 -4.402 9.705 3.833 1.00 0.00 C ATOM 857 O GLY A 61 -4.807 9.135 2.819 1.00 0.00 O ATOM 0 H GLY A 61 -4.910 8.683 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.379 9.840 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.397 11.267 4.904 1.00 0.00 H new ATOM 861 N LEU A 62 -3.116 9.942 4.064 1.00 0.00 N ATOM 862 CA LEU A 62 -2.081 9.538 3.119 1.00 0.00 C ATOM 863 C LEU A 62 -2.032 8.020 2.981 1.00 0.00 C ATOM 864 O LEU A 62 -2.064 7.485 1.871 1.00 0.00 O ATOM 865 CB LEU A 62 -0.717 10.065 3.569 1.00 0.00 C ATOM 866 CG LEU A 62 -0.565 11.586 3.608 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.734 11.975 4.296 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.619 12.164 2.201 1.00 0.00 C ATOM 0 H LEU A 62 -2.765 10.412 4.898 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.326 9.965 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.509 9.673 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.044 9.661 2.902 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.394 12.000 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.825 13.061 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.733 11.594 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.576 11.550 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.509 13.247 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.190 11.743 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.576 11.916 1.742 1.00 0.00 H new ATOM 880 N LEU A 63 -1.957 7.330 4.113 1.00 0.00 N ATOM 881 CA LEU A 63 -1.906 5.872 4.120 1.00 0.00 C ATOM 882 C LEU A 63 -3.088 5.290 4.888 1.00 0.00 C ATOM 883 O LEU A 63 -3.876 6.024 5.483 1.00 0.00 O ATOM 884 CB LEU A 63 -0.593 5.391 4.739 1.00 0.00 C ATOM 885 CG LEU A 63 0.614 5.343 3.800 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.867 4.944 4.563 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.357 4.379 2.651 1.00 0.00 C ATOM 0 H LEU A 63 -1.930 7.757 5.039 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.961 5.526 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.350 6.043 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.751 4.392 5.147 1.00 0.00 H new ATOM 0 HG LEU A 63 0.768 6.339 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.715 4.915 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.061 5.672 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.725 3.959 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.226 4.357 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.177 3.380 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.516 4.708 2.088 1.00 0.00 H new ATOM 899 N GLN A 64 -3.202 3.966 4.873 1.00 0.00 N ATOM 900 CA GLN A 64 -4.287 3.285 5.570 1.00 0.00 C ATOM 901 C GLN A 64 -3.795 1.991 6.210 1.00 0.00 C ATOM 902 O GLN A 64 -2.682 1.540 5.943 1.00 0.00 O ATOM 903 CB GLN A 64 -5.434 2.986 4.604 1.00 0.00 C ATOM 904 CG GLN A 64 -6.199 4.225 4.167 1.00 0.00 C ATOM 905 CD GLN A 64 -7.454 3.890 3.384 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.534 3.738 3.955 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.317 3.773 2.068 1.00 0.00 N ATOM 0 H GLN A 64 -2.557 3.344 4.386 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.649 3.945 6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.034 2.486 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.126 2.290 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.469 4.810 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.550 4.851 3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.403 3.907 1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.126 3.549 1.489 1.00 0.00 H new ATOM 916 N GLU A 65 -4.632 1.399 7.056 1.00 0.00 N ATOM 917 CA GLU A 65 -4.281 0.157 7.735 1.00 0.00 C ATOM 918 C GLU A 65 -4.296 -1.018 6.761 1.00 0.00 C ATOM 919 O GLU A 65 -5.105 -1.060 5.835 1.00 0.00 O ATOM 920 CB GLU A 65 -5.249 -0.111 8.889 1.00 0.00 C ATOM 921 CG GLU A 65 -4.607 -0.821 10.069 1.00 0.00 C ATOM 922 CD GLU A 65 -5.612 -1.590 10.904 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.047 -2.674 10.459 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.965 -1.110 12.001 1.00 0.00 O ATOM 0 H GLU A 65 -5.558 1.759 7.288 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.272 0.264 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.667 0.837 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.081 -0.713 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.843 -1.507 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.102 -0.088 10.698 1.00 0.00 H new ATOM 931 N ASN A 66 -3.394 -1.970 6.977 1.00 0.00 N ATOM 932 CA ASN A 66 -3.301 -3.145 6.119 1.00 0.00 C ATOM 933 C ASN A 66 -2.860 -2.757 4.711 1.00 0.00 C ATOM 934 O ASN A 66 -3.333 -3.320 3.723 1.00 0.00 O ATOM 935 CB ASN A 66 -4.649 -3.868 6.062 1.00 0.00 C ATOM 936 CG ASN A 66 -5.177 -4.216 7.440 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.553 -4.975 8.182 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.332 -3.661 7.789 1.00 0.00 N ATOM 0 H ASN A 66 -2.717 -1.950 7.739 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.554 -3.816 6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.374 -3.239 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.544 -4.780 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.736 -3.858 8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.815 -3.038 7.142 1.00 0.00 H new ATOM 945 N ASP A 67 -1.951 -1.792 4.627 1.00 0.00 N ATOM 946 CA ASP A 67 -1.444 -1.329 3.340 1.00 0.00 C ATOM 947 C ASP A 67 -0.189 -2.098 2.942 1.00 0.00 C ATOM 948 O ASP A 67 0.926 -1.709 3.289 1.00 0.00 O ATOM 949 CB ASP A 67 -1.142 0.170 3.396 1.00 0.00 C ATOM 950 CG ASP A 67 0.027 0.491 4.306 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.361 -0.353 5.163 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.607 1.588 4.162 1.00 0.00 O ATOM 0 H ASP A 67 -1.550 -1.315 5.435 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.213 -1.509 2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.926 0.532 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.027 0.703 3.744 1.00 0.00 H new ATOM 957 N ARG A 68 -0.378 -3.193 2.213 1.00 0.00 N ATOM 958 CA ARG A 68 0.738 -4.019 1.769 1.00 0.00 C ATOM 959 C ARG A 68 1.868 -3.155 1.217 1.00 0.00 C ATOM 960 O ARG A 68 1.809 -2.690 0.079 1.00 0.00 O ATOM 961 CB ARG A 68 0.274 -5.012 0.703 1.00 0.00 C ATOM 962 CG ARG A 68 -0.185 -6.346 1.271 1.00 0.00 C ATOM 963 CD ARG A 68 -1.406 -6.181 2.161 1.00 0.00 C ATOM 964 NE ARG A 68 -2.523 -5.564 1.451 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.787 -5.654 1.849 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.093 -6.332 2.946 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.748 -5.065 1.149 1.00 0.00 N ATOM 0 H ARG A 68 -1.295 -3.529 1.917 1.00 0.00 H new ATOM 0 HA ARG A 68 1.113 -4.571 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.544 -4.567 0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.090 -5.187 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.418 -7.030 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.626 -6.797 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.712 -7.156 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.144 -5.570 3.025 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.321 -5.035 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.357 -6.786 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.064 -6.400 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.516 -4.542 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.718 -5.135 1.456 1.00 0.00 H new ATOM 981 N VAL A 69 2.897 -2.942 2.032 1.00 0.00 N ATOM 982 CA VAL A 69 4.040 -2.135 1.625 1.00 0.00 C ATOM 983 C VAL A 69 4.950 -2.908 0.677 1.00 0.00 C ATOM 984 O VAL A 69 5.387 -4.016 0.984 1.00 0.00 O ATOM 985 CB VAL A 69 4.862 -1.672 2.843 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.875 -0.614 2.433 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.944 -1.147 3.937 1.00 0.00 C ATOM 0 H VAL A 69 2.962 -3.318 2.978 1.00 0.00 H new ATOM 0 HA VAL A 69 3.642 -1.261 1.110 1.00 0.00 H new ATOM 0 HB VAL A 69 5.407 -2.529 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.446 -0.299 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.552 -1.029 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.353 0.245 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.542 -0.824 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.370 -0.302 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.262 -1.938 4.250 1.00 0.00 H new ATOM 997 N VAL A 70 5.231 -2.314 -0.479 1.00 0.00 N ATOM 998 CA VAL A 70 6.090 -2.946 -1.474 1.00 0.00 C ATOM 999 C VAL A 70 7.481 -2.322 -1.474 1.00 0.00 C ATOM 1000 O VAL A 70 8.489 -3.029 -1.464 1.00 0.00 O ATOM 1001 CB VAL A 70 5.489 -2.834 -2.887 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.250 -3.718 -3.863 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.011 -3.196 -2.868 1.00 0.00 C ATOM 0 H VAL A 70 4.876 -1.397 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 70 6.167 -3.999 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 70 5.582 -1.801 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.811 -3.626 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.294 -3.407 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.191 -4.756 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.603 -3.111 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.892 -4.220 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.479 -2.517 -2.202 1.00 0.00 H new ATOM 1013 N MET A 71 7.528 -0.994 -1.484 1.00 0.00 N ATOM 1014 CA MET A 71 8.796 -0.275 -1.484 1.00 0.00 C ATOM 1015 C MET A 71 8.744 0.918 -0.535 1.00 0.00 C ATOM 1016 O MET A 71 7.690 1.524 -0.341 1.00 0.00 O ATOM 1017 CB MET A 71 9.139 0.198 -2.898 1.00 0.00 C ATOM 1018 CG MET A 71 10.067 1.402 -2.928 1.00 0.00 C ATOM 1019 SD MET A 71 10.850 1.635 -4.535 1.00 0.00 S ATOM 1020 CE MET A 71 11.999 0.261 -4.555 1.00 0.00 C ATOM 0 H MET A 71 6.703 -0.394 -1.492 1.00 0.00 H new ATOM 0 HA MET A 71 9.572 -0.958 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.604 -0.623 -3.444 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.217 0.447 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.502 2.298 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.838 1.281 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.905 0.552 -5.087 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.252 -0.016 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.540 -0.590 -5.058 1.00 0.00 H new ATOM 1030 N VAL A 72 9.889 1.251 0.054 1.00 0.00 N ATOM 1031 CA VAL A 72 9.973 2.372 0.982 1.00 0.00 C ATOM 1032 C VAL A 72 11.284 3.131 0.809 1.00 0.00 C ATOM 1033 O VAL A 72 12.354 2.629 1.149 1.00 0.00 O ATOM 1034 CB VAL A 72 9.856 1.900 2.444 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.151 3.046 3.400 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.474 1.319 2.706 1.00 0.00 C ATOM 0 H VAL A 72 10.771 0.760 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 72 9.139 3.035 0.754 1.00 0.00 H new ATOM 0 HB VAL A 72 10.594 1.116 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.064 2.694 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.163 3.413 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.438 3.853 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.408 0.990 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.717 2.081 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.305 0.469 2.045 1.00 0.00 H new ATOM 1046 N ASN A 73 11.191 4.346 0.277 1.00 0.00 N ATOM 1047 CA ASN A 73 12.370 5.176 0.058 1.00 0.00 C ATOM 1048 C ASN A 73 13.356 4.484 -0.878 1.00 0.00 C ATOM 1049 O ASN A 73 14.562 4.721 -0.813 1.00 0.00 O ATOM 1050 CB ASN A 73 13.052 5.492 1.391 1.00 0.00 C ATOM 1051 CG ASN A 73 12.471 6.724 2.059 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.775 7.517 1.426 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.756 6.888 3.346 1.00 0.00 N ATOM 0 H ASN A 73 10.312 4.777 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 73 12.046 6.107 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.951 4.637 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.119 5.641 1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.393 7.698 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.338 6.204 3.831 1.00 0.00 H new ATOM 1060 N GLY A 74 12.834 3.627 -1.750 1.00 0.00 N ATOM 1061 CA GLY A 74 13.682 2.914 -2.688 1.00 0.00 C ATOM 1062 C GLY A 74 14.185 1.598 -2.130 1.00 0.00 C ATOM 1063 O GLY A 74 15.246 1.112 -2.523 1.00 0.00 O ATOM 0 H GLY A 74 11.839 3.414 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.125 2.727 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.533 3.542 -2.953 1.00 0.00 H new ATOM 1067 N THR A 75 13.422 1.017 -1.208 1.00 0.00 N ATOM 1068 CA THR A 75 13.798 -0.249 -0.593 1.00 0.00 C ATOM 1069 C THR A 75 12.623 -1.220 -0.570 1.00 0.00 C ATOM 1070 O THR A 75 11.518 -0.884 -0.144 1.00 0.00 O ATOM 1071 CB THR A 75 14.308 -0.045 0.846 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.391 0.892 0.854 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.768 -1.364 1.450 1.00 0.00 C ATOM 0 H THR A 75 12.540 1.404 -0.872 1.00 0.00 H new ATOM 0 HA THR A 75 14.601 -0.668 -1.200 1.00 0.00 H new ATOM 0 HB THR A 75 13.486 0.345 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.187 1.622 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.124 -1.194 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.934 -2.066 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.576 -1.778 0.847 1.00 0.00 H new ATOM 1081 N PRO A 76 12.864 -2.453 -1.039 1.00 0.00 N ATOM 1082 CA PRO A 76 11.837 -3.498 -1.081 1.00 0.00 C ATOM 1083 C PRO A 76 11.456 -3.995 0.310 1.00 0.00 C ATOM 1084 O PRO A 76 12.320 -4.367 1.103 1.00 0.00 O ATOM 1085 CB PRO A 76 12.503 -4.618 -1.885 1.00 0.00 C ATOM 1086 CG PRO A 76 13.965 -4.409 -1.685 1.00 0.00 C ATOM 1087 CD PRO A 76 14.158 -2.923 -1.562 1.00 0.00 C ATOM 0 HA PRO A 76 10.906 -3.136 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.191 -5.600 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.235 -4.561 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.314 -4.923 -0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.535 -4.808 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.977 -2.679 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.392 -2.467 -2.524 1.00 0.00 H new ATOM 1095 N MET A 77 10.159 -3.997 0.598 1.00 0.00 N ATOM 1096 CA MET A 77 9.665 -4.450 1.893 1.00 0.00 C ATOM 1097 C MET A 77 9.000 -5.817 1.774 1.00 0.00 C ATOM 1098 O MET A 77 8.180 -6.193 2.611 1.00 0.00 O ATOM 1099 CB MET A 77 8.674 -3.436 2.468 1.00 0.00 C ATOM 1100 CG MET A 77 9.146 -1.995 2.358 1.00 0.00 C ATOM 1101 SD MET A 77 10.200 -1.503 3.736 1.00 0.00 S ATOM 1102 CE MET A 77 11.809 -1.503 2.949 1.00 0.00 C ATOM 0 H MET A 77 9.431 -3.690 -0.047 1.00 0.00 H new ATOM 0 HA MET A 77 10.517 -4.538 2.568 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.721 -3.538 1.950 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.493 -3.671 3.517 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.692 -1.866 1.424 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.280 -1.335 2.315 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.587 -1.483 3.712 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.918 -2.403 2.343 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.902 -0.623 2.312 1.00 0.00 H new ATOM 1112 N GLU A 78 9.359 -6.556 0.728 1.00 0.00 N ATOM 1113 CA GLU A 78 8.795 -7.881 0.500 1.00 0.00 C ATOM 1114 C GLU A 78 9.715 -8.966 1.052 1.00 0.00 C ATOM 1115 O GLU A 78 10.892 -9.037 0.698 1.00 0.00 O ATOM 1116 CB GLU A 78 8.558 -8.109 -0.994 1.00 0.00 C ATOM 1117 CG GLU A 78 9.790 -7.864 -1.849 1.00 0.00 C ATOM 1118 CD GLU A 78 9.571 -8.227 -3.305 1.00 0.00 C ATOM 1119 OE1 GLU A 78 8.697 -7.606 -3.946 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.272 -9.132 -3.804 1.00 0.00 O ATOM 0 H GLU A 78 10.037 -6.259 0.026 1.00 0.00 H new ATOM 0 HA GLU A 78 7.841 -7.937 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.217 -9.133 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.756 -7.452 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.073 -6.814 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.623 -8.446 -1.455 1.00 0.00 H new ATOM 1127 N ASP A 79 9.170 -9.809 1.922 1.00 0.00 N ATOM 1128 CA ASP A 79 9.940 -10.892 2.524 1.00 0.00 C ATOM 1129 C ASP A 79 11.100 -10.341 3.347 1.00 0.00 C ATOM 1130 O ASP A 79 12.208 -10.876 3.315 1.00 0.00 O ATOM 1131 CB ASP A 79 10.469 -11.833 1.440 1.00 0.00 C ATOM 1132 CG ASP A 79 10.641 -13.253 1.941 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.597 -13.503 2.704 1.00 0.00 O ATOM 1134 OD2 ASP A 79 9.818 -14.116 1.569 1.00 0.00 O ATOM 0 H ASP A 79 8.198 -9.763 2.226 1.00 0.00 H new ATOM 0 HA ASP A 79 9.280 -11.450 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.782 -11.830 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.426 -11.461 1.075 1.00 0.00 H new ATOM 1139 N VAL A 80 10.838 -9.266 4.085 1.00 0.00 N ATOM 1140 CA VAL A 80 11.859 -8.642 4.917 1.00 0.00 C ATOM 1141 C VAL A 80 11.507 -8.755 6.396 1.00 0.00 C ATOM 1142 O VAL A 80 10.404 -9.171 6.753 1.00 0.00 O ATOM 1143 CB VAL A 80 12.046 -7.157 4.557 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.307 -6.997 3.066 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.831 -6.348 4.984 1.00 0.00 C ATOM 0 H VAL A 80 9.927 -8.810 4.123 1.00 0.00 H new ATOM 0 HA VAL A 80 12.791 -9.174 4.727 1.00 0.00 H new ATOM 0 HB VAL A 80 12.914 -6.777 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.437 -5.941 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.210 -7.543 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.461 -7.393 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.981 -5.301 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.945 -6.726 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.696 -6.436 6.062 1.00 0.00 H new ATOM 1155 N LEU A 81 12.451 -8.380 7.253 1.00 0.00 N ATOM 1156 CA LEU A 81 12.240 -8.438 8.696 1.00 0.00 C ATOM 1157 C LEU A 81 11.513 -7.192 9.190 1.00 0.00 C ATOM 1158 O LEU A 81 11.696 -6.099 8.652 1.00 0.00 O ATOM 1159 CB LEU A 81 13.580 -8.583 9.421 1.00 0.00 C ATOM 1160 CG LEU A 81 14.295 -9.923 9.247 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.648 -9.899 9.942 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.438 -11.059 9.784 1.00 0.00 C ATOM 0 H LEU A 81 13.369 -8.033 6.974 1.00 0.00 H new ATOM 0 HA LEU A 81 11.620 -9.308 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.245 -7.791 9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.414 -8.418 10.486 1.00 0.00 H new ATOM 0 HG LEU A 81 14.458 -10.091 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.143 -10.861 9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.265 -9.110 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.507 -9.709 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.963 -12.005 9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.243 -10.898 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.493 -11.090 9.242 1.00 0.00 H new ATOM 1174 N HIS A 82 10.690 -7.363 10.220 1.00 0.00 N ATOM 1175 CA HIS A 82 9.937 -6.251 10.789 1.00 0.00 C ATOM 1176 C HIS A 82 10.852 -5.062 11.069 1.00 0.00 C ATOM 1177 O HIS A 82 10.490 -3.914 10.812 1.00 0.00 O ATOM 1178 CB HIS A 82 9.240 -6.686 12.079 1.00 0.00 C ATOM 1179 CG HIS A 82 8.741 -5.542 12.906 1.00 0.00 C ATOM 1180 ND1 HIS A 82 8.938 -5.241 14.211 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.934 -4.544 12.401 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.254 -4.078 14.468 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.657 -3.678 13.360 1.00 0.00 N flip ATOM 0 H HIS A 82 10.528 -8.260 10.677 1.00 0.00 H new ATOM 0 HA HIS A 82 9.184 -5.946 10.063 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.401 -7.335 11.828 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.934 -7.279 12.675 1.00 0.00 H new ATOM 0 HD1 HIS A 82 9.491 -5.778 14.879 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.583 -4.480 11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.211 -3.573 15.422 1.00 0.00 H new ATOM 1192 N SER A 83 12.038 -5.345 11.596 1.00 0.00 N ATOM 1193 CA SER A 83 13.003 -4.299 11.914 1.00 0.00 C ATOM 1194 C SER A 83 13.558 -3.666 10.642 1.00 0.00 C ATOM 1195 O SER A 83 13.935 -2.494 10.631 1.00 0.00 O ATOM 1196 CB SER A 83 14.148 -4.870 12.754 1.00 0.00 C ATOM 1197 OG SER A 83 14.771 -3.856 13.523 1.00 0.00 O ATOM 0 H SER A 83 12.354 -6.290 11.812 1.00 0.00 H new ATOM 0 HA SER A 83 12.489 -3.528 12.488 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.766 -5.648 13.414 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.884 -5.339 12.101 1.00 0.00 H new ATOM 0 HG SER A 83 15.498 -4.246 14.052 1.00 0.00 H new ATOM 1203 N PHE A 84 13.603 -4.450 9.570 1.00 0.00 N ATOM 1204 CA PHE A 84 14.112 -3.968 8.291 1.00 0.00 C ATOM 1205 C PHE A 84 13.156 -2.952 7.674 1.00 0.00 C ATOM 1206 O PHE A 84 13.579 -1.908 7.177 1.00 0.00 O ATOM 1207 CB PHE A 84 14.323 -5.138 7.328 1.00 0.00 C ATOM 1208 CG PHE A 84 14.850 -4.721 5.985 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.205 -4.503 5.795 1.00 0.00 C ATOM 1210 CD2 PHE A 84 13.990 -4.547 4.912 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.693 -4.120 4.560 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.473 -4.165 3.675 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.826 -3.949 3.499 1.00 0.00 C ATOM 0 H PHE A 84 13.293 -5.422 9.561 1.00 0.00 H new ATOM 0 HA PHE A 84 15.069 -3.478 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.018 -5.848 7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.377 -5.661 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.888 -4.634 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 84 12.931 -4.712 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.752 -3.955 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.793 -4.035 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.205 -3.647 2.534 1.00 0.00 H new ATOM 1223 N ALA A 85 11.865 -3.266 7.708 1.00 0.00 N ATOM 1224 CA ALA A 85 10.848 -2.381 7.154 1.00 0.00 C ATOM 1225 C ALA A 85 10.818 -1.048 7.894 1.00 0.00 C ATOM 1226 O ALA A 85 10.807 0.017 7.277 1.00 0.00 O ATOM 1227 CB ALA A 85 9.482 -3.048 7.207 1.00 0.00 C ATOM 0 H ALA A 85 11.499 -4.127 8.114 1.00 0.00 H new ATOM 0 HA ALA A 85 11.102 -2.183 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.732 -2.376 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.505 -3.971 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.229 -3.277 8.242 1.00 0.00 H new ATOM 1233 N VAL A 86 10.803 -1.114 9.222 1.00 0.00 N ATOM 1234 CA VAL A 86 10.773 0.088 10.047 1.00 0.00 C ATOM 1235 C VAL A 86 12.048 0.906 9.872 1.00 0.00 C ATOM 1236 O VAL A 86 12.000 2.131 9.763 1.00 0.00 O ATOM 1237 CB VAL A 86 10.600 -0.259 11.538 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.661 -1.254 11.982 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.650 1.002 12.387 1.00 0.00 C ATOM 0 H VAL A 86 10.811 -1.987 9.749 1.00 0.00 H new ATOM 0 HA VAL A 86 9.918 0.678 9.717 1.00 0.00 H new ATOM 0 HB VAL A 86 9.623 -0.723 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.522 -1.487 13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.572 -2.168 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.650 -0.822 11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.526 0.739 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.611 1.496 12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.848 1.676 12.085 1.00 0.00 H new ATOM 1249 N GLN A 87 13.186 0.220 9.846 1.00 0.00 N ATOM 1250 CA GLN A 87 14.474 0.883 9.684 1.00 0.00 C ATOM 1251 C GLN A 87 14.372 2.034 8.688 1.00 0.00 C ATOM 1252 O GLN A 87 14.668 3.182 9.020 1.00 0.00 O ATOM 1253 CB GLN A 87 15.532 -0.118 9.217 1.00 0.00 C ATOM 1254 CG GLN A 87 16.939 0.223 9.682 1.00 0.00 C ATOM 1255 CD GLN A 87 17.312 -0.474 10.975 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.453 -0.752 11.813 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.597 -0.760 11.145 1.00 0.00 N ATOM 0 H GLN A 87 13.242 -0.795 9.935 1.00 0.00 H new ATOM 0 HA GLN A 87 14.770 1.288 10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.268 -1.110 9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.520 -0.166 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.651 -0.055 8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.021 1.301 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.275 -0.511 10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.907 -1.229 11.996 1.00 0.00 H new ATOM 1266 N GLN A 88 13.952 1.719 7.467 1.00 0.00 N ATOM 1267 CA GLN A 88 13.812 2.727 6.423 1.00 0.00 C ATOM 1268 C GLN A 88 13.086 3.960 6.951 1.00 0.00 C ATOM 1269 O GLN A 88 13.450 5.093 6.630 1.00 0.00 O ATOM 1270 CB GLN A 88 13.057 2.150 5.225 1.00 0.00 C ATOM 1271 CG GLN A 88 13.721 0.923 4.621 1.00 0.00 C ATOM 1272 CD GLN A 88 15.016 1.253 3.906 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.048 2.101 3.013 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.095 0.584 4.295 1.00 0.00 N ATOM 0 H GLN A 88 13.703 0.774 7.176 1.00 0.00 H new ATOM 0 HA GLN A 88 14.811 3.025 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.045 1.890 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.967 2.919 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.920 0.197 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.033 0.451 3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.024 -0.110 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.995 0.764 3.850 1.00 0.00 H new ATOM 1283 N LEU A 89 12.059 3.733 7.762 1.00 0.00 N ATOM 1284 CA LEU A 89 11.280 4.826 8.335 1.00 0.00 C ATOM 1285 C LEU A 89 12.151 5.706 9.226 1.00 0.00 C ATOM 1286 O LEU A 89 12.223 6.920 9.036 1.00 0.00 O ATOM 1287 CB LEU A 89 10.103 4.273 9.139 1.00 0.00 C ATOM 1288 CG LEU A 89 9.163 3.327 8.390 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.041 2.858 9.302 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.598 4.008 7.152 1.00 0.00 C ATOM 0 H LEU A 89 11.746 2.802 8.038 1.00 0.00 H new ATOM 0 HA LEU A 89 10.898 5.435 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.498 3.747 10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.518 5.113 9.513 1.00 0.00 H new ATOM 0 HG LEU A 89 9.733 2.454 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.382 2.186 8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.464 2.332 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.471 3.719 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.931 3.321 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.043 4.898 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.415 4.294 6.489 1.00 0.00 H new ATOM 1302 N ARG A 90 12.812 5.085 10.197 1.00 0.00 N ATOM 1303 CA ARG A 90 13.679 5.811 11.117 1.00 0.00 C ATOM 1304 C ARG A 90 14.884 6.394 10.383 1.00 0.00 C ATOM 1305 O ARG A 90 15.575 7.272 10.901 1.00 0.00 O ATOM 1306 CB ARG A 90 14.152 4.888 12.242 1.00 0.00 C ATOM 1307 CG ARG A 90 14.733 3.574 11.748 1.00 0.00 C ATOM 1308 CD ARG A 90 15.368 2.784 12.882 1.00 0.00 C ATOM 1309 NE ARG A 90 16.530 3.469 13.443 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.401 2.888 14.260 1.00 0.00 C ATOM 1311 NH1 ARG A 90 17.243 1.619 14.610 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.434 3.577 14.729 1.00 0.00 N ATOM 0 H ARG A 90 12.764 4.080 10.367 1.00 0.00 H new ATOM 0 HA ARG A 90 13.104 6.632 11.547 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.904 5.408 12.835 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.313 4.678 12.905 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.946 2.979 11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.479 3.771 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.630 2.620 13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.668 1.802 12.516 1.00 0.00 H new ATOM 0 HE ARG A 90 16.681 4.447 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.451 1.086 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.914 1.176 15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.559 4.553 14.462 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.103 3.130 15.356 1.00 0.00 H new ATOM 1326 N LYS A 91 15.129 5.901 9.175 1.00 0.00 N ATOM 1327 CA LYS A 91 16.249 6.372 8.368 1.00 0.00 C ATOM 1328 C LYS A 91 15.864 7.620 7.580 1.00 0.00 C ATOM 1329 O LYS A 91 16.704 8.479 7.312 1.00 0.00 O ATOM 1330 CB LYS A 91 16.711 5.273 7.409 1.00 0.00 C ATOM 1331 CG LYS A 91 17.445 4.135 8.096 1.00 0.00 C ATOM 1332 CD LYS A 91 17.621 2.944 7.169 1.00 0.00 C ATOM 1333 CE LYS A 91 18.935 3.021 6.406 1.00 0.00 C ATOM 1334 NZ LYS A 91 20.033 2.312 7.120 1.00 0.00 N ATOM 0 H LYS A 91 14.567 5.174 8.732 1.00 0.00 H new ATOM 0 HA LYS A 91 17.068 6.626 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.844 4.871 6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.364 5.712 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.422 4.482 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.892 3.828 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.590 2.022 7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.791 2.905 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.806 2.586 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.211 4.066 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.911 2.387 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.174 2.743 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.782 1.309 7.235 1.00 0.00 H new ATOM 1348 N SER A 92 14.590 7.714 7.214 1.00 0.00 N ATOM 1349 CA SER A 92 14.095 8.857 6.455 1.00 0.00 C ATOM 1350 C SER A 92 14.223 10.144 7.265 1.00 0.00 C ATOM 1351 O SER A 92 13.867 10.188 8.442 1.00 0.00 O ATOM 1352 CB SER A 92 12.635 8.636 6.055 1.00 0.00 C ATOM 1353 OG SER A 92 12.300 9.399 4.908 1.00 0.00 O ATOM 0 H SER A 92 13.882 7.013 7.431 1.00 0.00 H new ATOM 0 HA SER A 92 14.701 8.954 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.466 7.578 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.982 8.912 6.883 1.00 0.00 H new ATOM 0 HG SER A 92 11.763 10.174 5.176 1.00 0.00 H new ATOM 1359 N GLY A 93 14.736 11.190 6.625 1.00 0.00 N ATOM 1360 CA GLY A 93 14.902 12.464 7.300 1.00 0.00 C ATOM 1361 C GLY A 93 13.587 13.039 7.787 1.00 0.00 C ATOM 1362 O GLY A 93 13.184 12.807 8.927 1.00 0.00 O ATOM 0 H GLY A 93 15.040 11.178 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.575 12.337 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.375 13.173 6.620 1.00 0.00 H new ATOM 1366 N LYS A 94 12.916 13.792 6.923 1.00 0.00 N ATOM 1367 CA LYS A 94 11.638 14.403 7.270 1.00 0.00 C ATOM 1368 C LYS A 94 10.510 13.822 6.425 1.00 0.00 C ATOM 1369 O LYS A 94 9.461 13.444 6.948 1.00 0.00 O ATOM 1370 CB LYS A 94 11.705 15.920 7.078 1.00 0.00 C ATOM 1371 CG LYS A 94 10.374 16.544 6.697 1.00 0.00 C ATOM 1372 CD LYS A 94 9.362 16.431 7.825 1.00 0.00 C ATOM 1373 CE LYS A 94 9.406 17.648 8.736 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.477 18.718 8.278 1.00 0.00 N ATOM 0 H LYS A 94 13.236 13.994 5.976 1.00 0.00 H new ATOM 0 HA LYS A 94 11.432 14.185 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.061 16.379 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.438 16.148 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.522 17.594 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.983 16.053 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.361 16.323 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.563 15.532 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.145 17.351 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.423 18.040 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.537 19.530 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.741 19.020 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.503 18.352 8.270 1.00 0.00 H new ATOM 1388 N ILE A 95 10.732 13.752 5.117 1.00 0.00 N ATOM 1389 CA ILE A 95 9.734 13.215 4.200 1.00 0.00 C ATOM 1390 C ILE A 95 10.078 11.787 3.789 1.00 0.00 C ATOM 1391 O ILE A 95 11.196 11.508 3.356 1.00 0.00 O ATOM 1392 CB ILE A 95 9.604 14.084 2.936 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.518 15.564 3.315 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.385 13.666 2.128 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.296 15.906 4.139 1.00 0.00 C ATOM 0 H ILE A 95 11.594 14.061 4.668 1.00 0.00 H new ATOM 0 HA ILE A 95 8.783 13.219 4.732 1.00 0.00 H new ATOM 0 HB ILE A 95 10.491 13.937 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.412 15.840 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.513 16.164 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.307 14.290 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.485 12.622 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.488 13.786 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.300 16.971 4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.396 15.661 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.310 15.332 5.066 1.00 0.00 H new ATOM 1407 N ALA A 96 9.109 10.888 3.925 1.00 0.00 N ATOM 1408 CA ALA A 96 9.308 9.490 3.564 1.00 0.00 C ATOM 1409 C ALA A 96 8.379 9.079 2.427 1.00 0.00 C ATOM 1410 O ALA A 96 7.234 9.525 2.357 1.00 0.00 O ATOM 1411 CB ALA A 96 9.091 8.596 4.775 1.00 0.00 C ATOM 0 H ALA A 96 8.178 11.103 4.283 1.00 0.00 H new ATOM 0 HA ALA A 96 10.335 9.372 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.243 7.555 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.800 8.865 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.074 8.726 5.146 1.00 0.00 H new ATOM 1417 N ALA A 97 8.879 8.227 1.538 1.00 0.00 N ATOM 1418 CA ALA A 97 8.092 7.755 0.405 1.00 0.00 C ATOM 1419 C ALA A 97 7.793 6.265 0.527 1.00 0.00 C ATOM 1420 O ALA A 97 8.707 5.444 0.606 1.00 0.00 O ATOM 1421 CB ALA A 97 8.820 8.044 -0.899 1.00 0.00 C ATOM 0 H ALA A 97 9.826 7.849 1.580 1.00 0.00 H new ATOM 0 HA ALA A 97 7.143 8.290 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.221 7.686 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.977 9.118 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.784 7.535 -0.898 1.00 0.00 H new ATOM 1427 N ILE A 98 6.509 5.924 0.543 1.00 0.00 N ATOM 1428 CA ILE A 98 6.090 4.532 0.655 1.00 0.00 C ATOM 1429 C ILE A 98 5.114 4.161 -0.456 1.00 0.00 C ATOM 1430 O ILE A 98 4.099 4.828 -0.654 1.00 0.00 O ATOM 1431 CB ILE A 98 5.431 4.251 2.018 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.344 4.713 3.156 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.112 2.769 2.156 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.640 4.816 4.491 1.00 0.00 C ATOM 0 H ILE A 98 5.741 6.592 0.480 1.00 0.00 H new ATOM 0 HA ILE A 98 6.989 3.923 0.563 1.00 0.00 H new ATOM 0 HB ILE A 98 4.498 4.811 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.178 4.017 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.766 5.685 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.647 2.586 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.428 2.469 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.032 2.190 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.347 5.149 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.823 5.534 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.242 3.840 4.769 1.00 0.00 H new ATOM 1446 N VAL A 99 5.428 3.089 -1.178 1.00 0.00 N ATOM 1447 CA VAL A 99 4.577 2.626 -2.268 1.00 0.00 C ATOM 1448 C VAL A 99 3.830 1.355 -1.879 1.00 0.00 C ATOM 1449 O VAL A 99 4.380 0.255 -1.942 1.00 0.00 O ATOM 1450 CB VAL A 99 5.396 2.358 -3.544 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.482 1.942 -4.687 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.211 3.586 -3.922 1.00 0.00 C ATOM 0 H VAL A 99 6.265 2.526 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 99 3.857 3.420 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 99 6.087 1.539 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.078 1.757 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.947 1.033 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.765 2.738 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.784 3.379 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.541 4.426 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.894 3.834 -3.109 1.00 0.00 H new ATOM 1462 N VAL A 100 2.572 1.513 -1.478 1.00 0.00 N ATOM 1463 CA VAL A 100 1.748 0.378 -1.081 1.00 0.00 C ATOM 1464 C VAL A 100 0.826 -0.055 -2.215 1.00 0.00 C ATOM 1465 O VAL A 100 0.761 0.593 -3.260 1.00 0.00 O ATOM 1466 CB VAL A 100 0.898 0.709 0.160 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.788 1.102 1.328 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.099 1.813 -0.157 1.00 0.00 C ATOM 0 H VAL A 100 2.102 2.416 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 100 2.429 -0.438 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 100 0.340 -0.183 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.169 1.332 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.458 0.277 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.376 1.979 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.691 2.034 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.437 2.709 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.759 1.488 -0.961 1.00 0.00 H new ATOM 1478 N LYS A 101 0.113 -1.156 -2.003 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.808 -1.677 -3.006 1.00 0.00 C ATOM 1480 C LYS A 101 -2.096 -2.173 -2.356 1.00 0.00 C ATOM 1481 O LYS A 101 -2.062 -2.890 -1.356 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.150 -2.814 -3.791 1.00 0.00 C ATOM 1483 CG LYS A 101 0.242 -4.001 -2.929 1.00 0.00 C ATOM 1484 CD LYS A 101 0.704 -5.176 -3.775 1.00 0.00 C ATOM 1485 CE LYS A 101 0.775 -6.457 -2.959 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.705 -7.450 -3.565 1.00 0.00 N ATOM 0 H LYS A 101 0.155 -1.705 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.056 -0.867 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.835 -3.151 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.739 -2.431 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.039 -3.708 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.608 -4.304 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.020 -5.314 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.685 -4.958 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.102 -6.224 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.221 -6.893 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.725 -8.309 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.379 -7.692 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.661 -7.044 -3.617 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.230 -1.787 -2.932 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.529 -2.193 -2.408 1.00 0.00 C ATOM 1502 C ARG A 102 -5.340 -2.925 -3.474 1.00 0.00 C ATOM 1503 O ARG A 102 -5.363 -2.542 -4.643 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.306 -0.973 -1.909 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.657 -0.282 -0.721 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.957 1.208 -0.711 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.879 1.980 -0.099 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.560 1.905 1.188 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -4.234 1.097 1.995 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.565 2.639 1.670 1.00 0.00 N ATOM 0 H ARG A 102 -3.276 -1.194 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.360 -2.873 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.405 -0.257 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.314 -1.283 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.016 -0.733 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.579 -0.437 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.115 1.553 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.885 1.387 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.341 2.612 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.999 0.531 1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.987 1.041 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.045 3.261 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.321 2.581 2.659 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.021 -4.004 -3.062 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.846 -4.812 -3.965 1.00 0.00 C ATOM 1526 C PRO A 103 -8.100 -4.074 -4.422 1.00 0.00 C ATOM 1527 O PRO A 103 -8.913 -3.647 -3.603 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.221 -6.026 -3.112 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.143 -5.540 -1.706 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.040 -4.519 -1.682 1.00 0.00 C ATOM 0 HA PRO A 103 -6.316 -5.066 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.222 -6.384 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.536 -6.856 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.089 -5.100 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.930 -6.360 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.241 -3.727 -0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.085 -4.966 -1.407 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.249 -3.927 -5.734 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.404 -3.240 -6.300 1.00 0.00 C ATOM 1540 C ARG A 104 -10.332 -4.225 -7.005 1.00 0.00 C ATOM 1541 O ARG A 104 -10.396 -4.263 -8.233 1.00 0.00 O ATOM 1542 CB ARG A 104 -8.950 -2.158 -7.282 1.00 0.00 C ATOM 1543 CG ARG A 104 -9.969 -1.048 -7.479 1.00 0.00 C ATOM 1544 CD ARG A 104 -9.738 -0.306 -8.786 1.00 0.00 C ATOM 1545 NE ARG A 104 -8.827 0.824 -8.620 1.00 0.00 N ATOM 1546 CZ ARG A 104 -8.592 1.724 -9.568 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -9.199 1.628 -10.743 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -7.750 2.724 -9.342 1.00 0.00 N ATOM 0 H ARG A 104 -7.584 -4.274 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.953 -2.772 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.017 -1.723 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.738 -2.620 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.974 -1.470 -7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.911 -0.347 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.331 -0.994 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.692 0.051 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.345 0.927 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.848 0.862 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.017 2.321 -11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.282 2.802 -8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.571 3.414 -10.071 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.049 -5.020 -6.218 1.00 0.00 N ATOM 1563 CA LYS A 105 -11.974 -6.005 -6.765 1.00 0.00 C ATOM 1564 C LYS A 105 -12.620 -5.492 -8.048 1.00 0.00 C ATOM 1565 O LYS A 105 -12.948 -4.310 -8.160 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.056 -6.345 -5.737 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.686 -7.502 -4.825 1.00 0.00 C ATOM 1568 CD LYS A 105 -13.668 -7.640 -3.674 1.00 0.00 C ATOM 1569 CE LYS A 105 -13.012 -8.267 -2.454 1.00 0.00 C ATOM 1570 NZ LYS A 105 -12.752 -9.721 -2.649 1.00 0.00 N ATOM 0 H LYS A 105 -11.007 -5.001 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.408 -6.907 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.257 -5.463 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.980 -6.588 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.666 -8.428 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.681 -7.349 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.063 -6.659 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.514 -8.251 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.073 -7.755 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.654 -8.126 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.304 -10.111 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.651 -10.214 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.119 -9.854 -3.463 1.00 0.00 H new ATOM 1584 N VAL A 106 -12.802 -6.387 -9.014 1.00 0.00 N ATOM 1585 CA VAL A 106 -13.411 -6.024 -10.288 1.00 0.00 C ATOM 1586 C VAL A 106 -14.931 -5.989 -10.179 1.00 0.00 C ATOM 1587 O VAL A 106 -15.623 -6.839 -10.739 1.00 0.00 O ATOM 1588 CB VAL A 106 -13.010 -7.009 -11.402 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -13.393 -8.431 -11.022 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -13.652 -6.610 -12.722 1.00 0.00 C ATOM 0 H VAL A 106 -12.536 -7.369 -8.938 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.044 -5.030 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.928 -6.971 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -13.102 -9.112 -11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.881 -8.712 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.471 -8.489 -10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.358 -7.317 -13.498 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -14.737 -6.618 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -13.322 -5.609 -12.999 1.00 0.00 H new ATOM 1600 N GLN A 107 -15.444 -4.999 -9.456 1.00 0.00 N ATOM 1601 CA GLN A 107 -16.884 -4.853 -9.274 1.00 0.00 C ATOM 1602 C GLN A 107 -17.337 -3.440 -9.628 1.00 0.00 C ATOM 1603 O GLN A 107 -16.528 -2.514 -9.684 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.273 -5.180 -7.831 1.00 0.00 C ATOM 1605 CG GLN A 107 -17.618 -6.644 -7.611 1.00 0.00 C ATOM 1606 CD GLN A 107 -17.409 -7.084 -6.176 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -16.504 -6.602 -5.493 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -18.246 -8.003 -5.710 1.00 0.00 N ATOM 0 H GLN A 107 -14.885 -4.286 -8.987 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.382 -5.553 -9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -16.450 -4.906 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.128 -4.567 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.657 -6.814 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.005 -7.260 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -18.981 -8.375 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -18.154 -8.337 -4.751 1.00 0.00 H new ATOM 1617 N VAL A 108 -18.635 -3.282 -9.865 1.00 0.00 N ATOM 1618 CA VAL A 108 -19.196 -1.982 -10.212 1.00 0.00 C ATOM 1619 C VAL A 108 -20.479 -1.712 -9.435 1.00 0.00 C ATOM 1620 O VAL A 108 -21.361 -2.566 -9.357 1.00 0.00 O ATOM 1621 CB VAL A 108 -19.491 -1.883 -11.721 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -18.196 -1.794 -12.514 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -20.327 -3.069 -12.179 1.00 0.00 C ATOM 0 H VAL A 108 -19.318 -4.038 -9.823 1.00 0.00 H new ATOM 0 HA VAL A 108 -18.450 -1.234 -9.946 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.063 -0.973 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.425 -1.725 -13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.640 -0.909 -12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.594 -2.684 -12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -20.526 -2.983 -13.247 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.784 -3.994 -11.984 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -21.271 -3.081 -11.634 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.577 -0.517 -8.862 1.00 0.00 N ATOM 1634 CA ALA A 109 -21.755 -0.132 -8.093 1.00 0.00 C ATOM 1635 C ALA A 109 -22.672 0.772 -8.909 1.00 0.00 C ATOM 1636 O ALA A 109 -22.329 1.907 -9.242 1.00 0.00 O ATOM 1637 CB ALA A 109 -21.339 0.559 -6.803 1.00 0.00 C ATOM 0 H ALA A 109 -19.855 0.202 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 109 -22.309 -1.037 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -22.228 0.841 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.731 -0.120 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.760 1.452 -7.039 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.867 0.261 -9.240 1.00 0.00 N ATOM 1644 CA PRO A 110 -24.858 1.006 -10.022 1.00 0.00 C ATOM 1645 C PRO A 110 -25.462 2.165 -9.236 1.00 0.00 C ATOM 1646 O PRO A 110 -25.044 2.454 -8.114 1.00 0.00 O ATOM 1647 CB PRO A 110 -25.927 -0.044 -10.333 1.00 0.00 C ATOM 1648 CG PRO A 110 -25.801 -1.048 -9.239 1.00 0.00 C ATOM 1649 CD PRO A 110 -24.342 -1.085 -8.877 1.00 0.00 C ATOM 0 HA PRO A 110 -24.419 1.462 -10.909 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -26.923 0.398 -10.352 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -25.762 -0.500 -11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -26.409 -0.767 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -26.147 -2.028 -9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -24.196 -1.290 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -23.811 -1.861 -9.428 1.00 0.00 H new ATOM 1657 N LEU A 111 -26.448 2.827 -9.832 1.00 0.00 N ATOM 1658 CA LEU A 111 -27.111 3.955 -9.188 1.00 0.00 C ATOM 1659 C LEU A 111 -28.454 3.534 -8.598 1.00 0.00 C ATOM 1660 O LEU A 111 -29.253 2.871 -9.260 1.00 0.00 O ATOM 1661 CB LEU A 111 -27.316 5.092 -10.190 1.00 0.00 C ATOM 1662 CG LEU A 111 -26.059 5.861 -10.599 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -26.358 6.792 -11.764 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -25.504 6.643 -9.417 1.00 0.00 C ATOM 0 H LEU A 111 -26.806 2.602 -10.760 1.00 0.00 H new ATOM 0 HA LEU A 111 -26.472 4.304 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -27.774 4.679 -11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -28.028 5.799 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 111 -25.305 5.142 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -25.452 7.331 -12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -26.708 6.208 -12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -27.129 7.505 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -24.610 7.184 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -26.254 7.352 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -25.251 5.954 -8.611 1.00 0.00 H new ATOM 1676 N SER A 112 -28.696 3.925 -7.351 1.00 0.00 N ATOM 1677 CA SER A 112 -29.941 3.587 -6.672 1.00 0.00 C ATOM 1678 C SER A 112 -30.805 4.828 -6.472 1.00 0.00 C ATOM 1679 O SER A 112 -30.456 5.920 -6.918 1.00 0.00 O ATOM 1680 CB SER A 112 -29.648 2.932 -5.320 1.00 0.00 C ATOM 1681 OG SER A 112 -30.689 2.047 -4.946 1.00 0.00 O ATOM 0 H SER A 112 -28.046 4.476 -6.790 1.00 0.00 H new ATOM 0 HA SER A 112 -30.488 2.882 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 112 -28.705 2.388 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 112 -29.529 3.702 -4.558 1.00 0.00 H new ATOM 0 HG SER A 112 -30.477 1.640 -4.080 1.00 0.00 H new ATOM 1687 N GLY A 113 -31.937 4.651 -5.796 1.00 0.00 N ATOM 1688 CA GLY A 113 -32.834 5.764 -5.549 1.00 0.00 C ATOM 1689 C GLY A 113 -33.823 5.475 -4.437 1.00 0.00 C ATOM 1690 O GLY A 113 -34.521 4.460 -4.446 1.00 0.00 O ATOM 0 H GLY A 113 -32.248 3.757 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -32.250 6.647 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -33.379 5.998 -6.464 1.00 0.00 H new ATOM 1694 N PRO A 114 -33.892 6.381 -3.450 1.00 0.00 N ATOM 1695 CA PRO A 114 -34.799 6.239 -2.307 1.00 0.00 C ATOM 1696 C PRO A 114 -36.261 6.414 -2.702 1.00 0.00 C ATOM 1697 O PRO A 114 -36.596 6.433 -3.886 1.00 0.00 O ATOM 1698 CB PRO A 114 -34.361 7.364 -1.366 1.00 0.00 C ATOM 1699 CG PRO A 114 -33.738 8.382 -2.256 1.00 0.00 C ATOM 1700 CD PRO A 114 -33.090 7.614 -3.375 1.00 0.00 C ATOM 0 HA PRO A 114 -34.742 5.246 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -35.210 7.779 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -33.652 7.003 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -34.487 9.074 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -33.003 8.976 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -33.118 8.169 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -32.043 7.400 -3.162 1.00 0.00 H new ATOM 1708 N SER A 115 -37.128 6.541 -1.702 1.00 0.00 N ATOM 1709 CA SER A 115 -38.556 6.711 -1.946 1.00 0.00 C ATOM 1710 C SER A 115 -38.979 8.158 -1.710 1.00 0.00 C ATOM 1711 O SER A 115 -38.853 8.680 -0.602 1.00 0.00 O ATOM 1712 CB SER A 115 -39.363 5.778 -1.042 1.00 0.00 C ATOM 1713 OG SER A 115 -40.688 5.623 -1.522 1.00 0.00 O ATOM 0 H SER A 115 -36.867 6.529 -0.716 1.00 0.00 H new ATOM 0 HA SER A 115 -38.755 6.458 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 115 -38.875 4.805 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 115 -39.385 6.178 -0.028 1.00 0.00 H new ATOM 0 HG SER A 115 -41.183 5.021 -0.928 1.00 0.00 H new ATOM 1719 N SER A 116 -39.480 8.800 -2.760 1.00 0.00 N ATOM 1720 CA SER A 116 -39.919 10.188 -2.670 1.00 0.00 C ATOM 1721 C SER A 116 -41.340 10.274 -2.122 1.00 0.00 C ATOM 1722 O SER A 116 -42.241 10.792 -2.780 1.00 0.00 O ATOM 1723 CB SER A 116 -39.848 10.857 -4.043 1.00 0.00 C ATOM 1724 OG SER A 116 -39.792 12.268 -3.921 1.00 0.00 O ATOM 0 H SER A 116 -39.592 8.381 -3.683 1.00 0.00 H new ATOM 0 HA SER A 116 -39.252 10.711 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 116 -38.969 10.500 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 116 -40.719 10.574 -4.634 1.00 0.00 H new ATOM 0 HG SER A 116 -39.746 12.672 -4.813 1.00 0.00 H new ATOM 1730 N GLY A 117 -41.532 9.761 -0.910 1.00 0.00 N ATOM 1731 CA GLY A 117 -42.845 9.789 -0.292 1.00 0.00 C ATOM 1732 C GLY A 117 -43.067 11.035 0.542 1.00 0.00 C ATOM 1733 O GLY A 117 -44.137 11.220 1.121 1.00 0.00 O ATOM 0 H GLY A 117 -40.802 9.327 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -43.609 9.734 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -42.965 8.908 0.338 1.00 0.00 H new TER 1737 GLY A 117