USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00464 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 GLN : amide:sc= -1.73 K(o=-1.7,f=-9.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.12) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.0126 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 54 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 65 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-3.8!) USER MOD Single : A 67 ASN : amide:sc= -4.76! K(o=-4.8!,f=-2.1) USER MOD Single : A 70 SER OG : rot 39:sc= 0.279 USER MOD Single : A 71 THR OG1 : rot -52:sc= 1.01 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0.0798 K(o=0.08,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.59) USER MOD Single : A 89 GLN : amide:sc= -2.47! K(o=-2.5!,f=-0.88) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.513 -13.679 -10.260 1.00 0.00 N ATOM 2 CA GLY A 1 -27.531 -12.625 -10.442 1.00 0.00 C ATOM 3 C GLY A 1 -26.116 -13.161 -10.534 1.00 0.00 C ATOM 4 O GLY A 1 -25.884 -14.355 -10.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.081 -13.778 -11.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.026 -14.576 -10.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.136 -13.439 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.765 -12.067 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.597 -11.923 -9.610 1.00 0.00 H new ATOM 8 N SER A 2 -25.168 -12.276 -10.825 1.00 0.00 N ATOM 9 CA SER A 2 -23.769 -12.668 -10.947 1.00 0.00 C ATOM 10 C SER A 2 -23.214 -13.128 -9.602 1.00 0.00 C ATOM 11 O SER A 2 -23.323 -12.423 -8.599 1.00 0.00 O ATOM 12 CB SER A 2 -22.935 -11.502 -11.483 1.00 0.00 C ATOM 13 OG SER A 2 -21.549 -11.775 -11.377 1.00 0.00 O ATOM 0 H SER A 2 -25.343 -11.283 -10.981 1.00 0.00 H new ATOM 0 HA SER A 2 -23.711 -13.500 -11.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.193 -11.315 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.174 -10.595 -10.928 1.00 0.00 H new ATOM 0 HG SER A 2 -21.038 -11.016 -11.727 1.00 0.00 H new ATOM 19 N SER A 3 -22.619 -14.317 -9.590 1.00 0.00 N ATOM 20 CA SER A 3 -22.050 -14.875 -8.369 1.00 0.00 C ATOM 21 C SER A 3 -20.762 -14.151 -7.990 1.00 0.00 C ATOM 22 O SER A 3 -20.567 -13.770 -6.837 1.00 0.00 O ATOM 23 CB SER A 3 -21.776 -16.370 -8.545 1.00 0.00 C ATOM 24 OG SER A 3 -20.937 -16.606 -9.662 1.00 0.00 O ATOM 0 H SER A 3 -22.519 -14.912 -10.412 1.00 0.00 H new ATOM 0 HA SER A 3 -22.773 -14.738 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.307 -16.766 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.718 -16.903 -8.675 1.00 0.00 H new ATOM 0 HG SER A 3 -20.775 -17.568 -9.752 1.00 0.00 H new ATOM 30 N GLY A 4 -19.884 -13.966 -8.971 1.00 0.00 N ATOM 31 CA GLY A 4 -18.624 -13.289 -8.722 1.00 0.00 C ATOM 32 C GLY A 4 -17.428 -14.200 -8.917 1.00 0.00 C ATOM 33 O GLY A 4 -17.461 -15.110 -9.746 1.00 0.00 O ATOM 0 H GLY A 4 -20.022 -14.273 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.537 -12.432 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.619 -12.901 -7.704 1.00 0.00 H new ATOM 37 N SER A 5 -16.368 -13.954 -8.154 1.00 0.00 N ATOM 38 CA SER A 5 -15.154 -14.755 -8.251 1.00 0.00 C ATOM 39 C SER A 5 -15.336 -16.104 -7.561 1.00 0.00 C ATOM 40 O SER A 5 -16.226 -16.272 -6.727 1.00 0.00 O ATOM 41 CB SER A 5 -13.973 -14.007 -7.629 1.00 0.00 C ATOM 42 OG SER A 5 -14.184 -13.780 -6.246 1.00 0.00 O ATOM 0 H SER A 5 -16.326 -13.206 -7.462 1.00 0.00 H new ATOM 0 HA SER A 5 -14.948 -14.931 -9.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.058 -14.583 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.832 -13.054 -8.140 1.00 0.00 H new ATOM 0 HG SER A 5 -13.415 -13.302 -5.872 1.00 0.00 H new ATOM 48 N SER A 6 -14.487 -17.063 -7.916 1.00 0.00 N ATOM 49 CA SER A 6 -14.556 -18.398 -7.335 1.00 0.00 C ATOM 50 C SER A 6 -13.634 -18.512 -6.124 1.00 0.00 C ATOM 51 O SER A 6 -12.928 -19.506 -5.959 1.00 0.00 O ATOM 52 CB SER A 6 -14.178 -19.451 -8.378 1.00 0.00 C ATOM 53 OG SER A 6 -12.816 -19.334 -8.752 1.00 0.00 O ATOM 0 H SER A 6 -13.743 -16.940 -8.603 1.00 0.00 H new ATOM 0 HA SER A 6 -15.581 -18.572 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.364 -20.447 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.811 -19.339 -9.258 1.00 0.00 H new ATOM 0 HG SER A 6 -12.600 -20.019 -9.418 1.00 0.00 H new ATOM 59 N GLY A 7 -13.648 -17.486 -5.279 1.00 0.00 N ATOM 60 CA GLY A 7 -12.810 -17.489 -4.094 1.00 0.00 C ATOM 61 C GLY A 7 -11.564 -16.644 -4.263 1.00 0.00 C ATOM 62 O GLY A 7 -11.540 -15.717 -5.073 1.00 0.00 O ATOM 0 H GLY A 7 -14.225 -16.653 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.385 -17.118 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.521 -18.514 -3.860 1.00 0.00 H new ATOM 66 N GLN A 8 -10.526 -16.962 -3.496 1.00 0.00 N ATOM 67 CA GLN A 8 -9.271 -16.222 -3.564 1.00 0.00 C ATOM 68 C GLN A 8 -8.077 -17.168 -3.487 1.00 0.00 C ATOM 69 O GLN A 8 -8.131 -18.198 -2.817 1.00 0.00 O ATOM 70 CB GLN A 8 -9.198 -15.197 -2.431 1.00 0.00 C ATOM 71 CG GLN A 8 -7.911 -14.388 -2.426 1.00 0.00 C ATOM 72 CD GLN A 8 -6.798 -15.067 -1.652 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.746 -15.387 -2.207 1.00 0.00 O ATOM 74 NE2 GLN A 8 -7.024 -15.291 -0.363 1.00 0.00 N ATOM 0 H GLN A 8 -10.529 -17.726 -2.821 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.237 -15.700 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.045 -14.516 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.296 -15.715 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.586 -14.223 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.105 -13.407 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.910 -15.009 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.311 -15.745 0.208 1.00 0.00 H new ATOM 83 N ALA A 9 -7.000 -16.811 -4.180 1.00 0.00 N ATOM 84 CA ALA A 9 -5.793 -17.627 -4.189 1.00 0.00 C ATOM 85 C ALA A 9 -4.554 -16.771 -4.430 1.00 0.00 C ATOM 86 O ALA A 9 -4.425 -16.128 -5.472 1.00 0.00 O ATOM 87 CB ALA A 9 -5.899 -18.715 -5.247 1.00 0.00 C ATOM 0 H ALA A 9 -6.940 -15.962 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.694 -18.096 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.990 -19.317 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.757 -19.351 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.026 -18.257 -6.228 1.00 0.00 H new ATOM 93 N SER A 10 -3.645 -16.766 -3.460 1.00 0.00 N ATOM 94 CA SER A 10 -2.418 -15.985 -3.566 1.00 0.00 C ATOM 95 C SER A 10 -2.686 -14.641 -4.236 1.00 0.00 C ATOM 96 O SER A 10 -1.832 -14.104 -4.940 1.00 0.00 O ATOM 97 CB SER A 10 -1.362 -16.760 -4.356 1.00 0.00 C ATOM 98 OG SER A 10 -0.655 -17.658 -3.518 1.00 0.00 O ATOM 0 H SER A 10 -3.735 -17.294 -2.592 1.00 0.00 H new ATOM 0 HA SER A 10 -2.045 -15.801 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.841 -17.313 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.664 -16.062 -4.817 1.00 0.00 H new ATOM 0 HG SER A 10 0.013 -18.142 -4.047 1.00 0.00 H new ATOM 104 N GLY A 11 -3.880 -14.102 -4.010 1.00 0.00 N ATOM 105 CA GLY A 11 -4.241 -12.825 -4.598 1.00 0.00 C ATOM 106 C GLY A 11 -3.995 -11.663 -3.656 1.00 0.00 C ATOM 107 O GLY A 11 -4.256 -11.760 -2.457 1.00 0.00 O ATOM 0 H GLY A 11 -4.604 -14.527 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.668 -12.675 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.294 -12.843 -4.881 1.00 0.00 H new ATOM 111 N HIS A 12 -3.490 -10.559 -4.199 1.00 0.00 N ATOM 112 CA HIS A 12 -3.208 -9.373 -3.399 1.00 0.00 C ATOM 113 C HIS A 12 -4.343 -9.098 -2.417 1.00 0.00 C ATOM 114 O HIS A 12 -5.519 -9.161 -2.778 1.00 0.00 O ATOM 115 CB HIS A 12 -2.995 -8.160 -4.304 1.00 0.00 C ATOM 116 CG HIS A 12 -3.848 -8.174 -5.535 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.136 -7.681 -5.564 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.591 -8.623 -6.785 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.634 -7.828 -6.778 1.00 0.00 C ATOM 120 NE2 HIS A 12 -4.717 -8.397 -7.539 1.00 0.00 N ATOM 0 H HIS A 12 -3.268 -10.462 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.296 -9.556 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.204 -7.253 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.947 -8.117 -4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.672 -9.075 -7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.623 -7.533 -7.095 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.827 -8.631 -8.526 1.00 0.00 H new ATOM 129 N PHE A 13 -3.984 -8.793 -1.175 1.00 0.00 N ATOM 130 CA PHE A 13 -4.972 -8.509 -0.141 1.00 0.00 C ATOM 131 C PHE A 13 -4.961 -7.029 0.231 1.00 0.00 C ATOM 132 O PHE A 13 -4.158 -6.254 -0.288 1.00 0.00 O ATOM 133 CB PHE A 13 -4.700 -9.360 1.102 1.00 0.00 C ATOM 134 CG PHE A 13 -3.303 -9.215 1.633 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.983 -8.187 2.505 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.310 -10.107 1.262 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.698 -8.050 2.995 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.023 -9.976 1.750 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.717 -8.947 2.618 1.00 0.00 C ATOM 0 H PHE A 13 -3.016 -8.736 -0.860 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.956 -8.759 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.408 -9.084 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.882 -10.408 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.746 -7.485 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.544 -10.914 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.461 -7.243 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.258 -10.678 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.287 -8.843 3.002 1.00 0.00 H new ATOM 149 N SER A 14 -5.860 -6.645 1.132 1.00 0.00 N ATOM 150 CA SER A 14 -5.958 -5.258 1.570 1.00 0.00 C ATOM 151 C SER A 14 -5.616 -5.131 3.052 1.00 0.00 C ATOM 152 O SER A 14 -5.609 -6.119 3.786 1.00 0.00 O ATOM 153 CB SER A 14 -7.365 -4.717 1.312 1.00 0.00 C ATOM 154 OG SER A 14 -8.352 -5.607 1.805 1.00 0.00 O ATOM 0 H SER A 14 -6.530 -7.275 1.573 1.00 0.00 H new ATOM 0 HA SER A 14 -5.240 -4.671 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.477 -3.744 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.509 -4.565 0.242 1.00 0.00 H new ATOM 0 HG SER A 14 -9.243 -5.238 1.629 1.00 0.00 H new ATOM 160 N VAL A 15 -5.333 -3.906 3.484 1.00 0.00 N ATOM 161 CA VAL A 15 -4.992 -3.648 4.878 1.00 0.00 C ATOM 162 C VAL A 15 -5.922 -2.605 5.488 1.00 0.00 C ATOM 163 O VAL A 15 -5.962 -1.459 5.042 1.00 0.00 O ATOM 164 CB VAL A 15 -3.536 -3.165 5.019 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.235 -2.789 6.462 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.571 -4.233 4.526 1.00 0.00 C ATOM 0 H VAL A 15 -5.333 -3.077 2.889 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.108 -4.591 5.412 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.405 -2.276 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.202 -2.450 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.905 -1.989 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.382 -3.658 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.547 -3.875 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.701 -5.141 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.772 -4.449 3.477 1.00 0.00 H new ATOM 176 N GLU A 16 -6.668 -3.011 6.510 1.00 0.00 N ATOM 177 CA GLU A 16 -7.599 -2.111 7.181 1.00 0.00 C ATOM 178 C GLU A 16 -7.109 -1.769 8.585 1.00 0.00 C ATOM 179 O GLU A 16 -6.763 -2.656 9.367 1.00 0.00 O ATOM 180 CB GLU A 16 -8.991 -2.743 7.254 1.00 0.00 C ATOM 181 CG GLU A 16 -10.120 -1.726 7.276 1.00 0.00 C ATOM 182 CD GLU A 16 -10.583 -1.338 5.885 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.460 -2.038 5.336 1.00 0.00 O ATOM 184 OE2 GLU A 16 -10.068 -0.337 5.345 1.00 0.00 O ATOM 0 H GLU A 16 -6.646 -3.957 6.892 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.656 -1.190 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.126 -3.405 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.053 -3.362 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.962 -2.136 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.790 -0.833 7.807 1.00 0.00 H new ATOM 191 N LEU A 17 -7.082 -0.479 8.898 1.00 0.00 N ATOM 192 CA LEU A 17 -6.634 -0.018 10.208 1.00 0.00 C ATOM 193 C LEU A 17 -7.375 1.249 10.622 1.00 0.00 C ATOM 194 O LEU A 17 -8.113 1.837 9.830 1.00 0.00 O ATOM 195 CB LEU A 17 -5.127 0.241 10.191 1.00 0.00 C ATOM 196 CG LEU A 17 -4.253 -0.913 9.700 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.883 -0.404 9.280 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.120 -1.978 10.780 1.00 0.00 C ATOM 0 H LEU A 17 -7.365 0.267 8.263 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.854 -0.799 10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.935 1.109 9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.812 0.504 11.201 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.733 -1.363 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.275 -1.240 8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.996 0.321 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.395 0.072 10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.495 -2.792 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.663 -1.541 11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.107 -2.365 11.033 1.00 0.00 H new ATOM 210 N VAL A 18 -7.173 1.667 11.867 1.00 0.00 N ATOM 211 CA VAL A 18 -7.818 2.867 12.386 1.00 0.00 C ATOM 212 C VAL A 18 -6.791 3.850 12.937 1.00 0.00 C ATOM 213 O VAL A 18 -6.040 3.527 13.857 1.00 0.00 O ATOM 214 CB VAL A 18 -8.831 2.524 13.495 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.438 3.793 14.075 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.915 1.601 12.960 1.00 0.00 C ATOM 0 H VAL A 18 -6.567 1.192 12.536 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.346 3.329 11.551 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.305 2.003 14.295 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.151 3.531 14.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.648 4.414 14.498 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.950 4.344 13.287 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.622 1.369 13.757 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.440 2.093 12.141 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.461 0.678 12.598 1.00 0.00 H new ATOM 226 N ARG A 19 -6.765 5.050 12.368 1.00 0.00 N ATOM 227 CA ARG A 19 -5.829 6.081 12.801 1.00 0.00 C ATOM 228 C ARG A 19 -5.679 6.075 14.320 1.00 0.00 C ATOM 229 O ARG A 19 -6.612 6.413 15.047 1.00 0.00 O ATOM 230 CB ARG A 19 -6.299 7.458 12.329 1.00 0.00 C ATOM 231 CG ARG A 19 -5.247 8.545 12.478 1.00 0.00 C ATOM 232 CD ARG A 19 -5.712 9.857 11.867 1.00 0.00 C ATOM 233 NE ARG A 19 -4.987 11.002 12.413 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.193 12.255 12.023 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.096 12.523 11.090 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.494 13.243 12.567 1.00 0.00 N ATOM 0 H ARG A 19 -7.381 5.333 11.606 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.858 5.865 12.356 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.595 7.392 11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.186 7.743 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.023 8.694 13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.322 8.226 11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.574 9.823 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.779 9.983 12.049 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.285 10.830 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.635 11.766 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.252 13.486 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.798 13.040 13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.652 14.205 12.267 1.00 0.00 H new ATOM 250 N GLY A 20 -4.498 5.688 14.791 1.00 0.00 N ATOM 251 CA GLY A 20 -4.248 5.645 16.220 1.00 0.00 C ATOM 252 C GLY A 20 -4.082 7.027 16.822 1.00 0.00 C ATOM 253 O GLY A 20 -4.492 8.024 16.226 1.00 0.00 O ATOM 0 H GLY A 20 -3.710 5.404 14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.074 5.133 16.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.349 5.059 16.411 1.00 0.00 H new ATOM 257 N TYR A 21 -3.483 7.087 18.006 1.00 0.00 N ATOM 258 CA TYR A 21 -3.269 8.356 18.690 1.00 0.00 C ATOM 259 C TYR A 21 -2.485 9.325 17.809 1.00 0.00 C ATOM 260 O TYR A 21 -2.860 10.488 17.661 1.00 0.00 O ATOM 261 CB TYR A 21 -2.524 8.130 20.007 1.00 0.00 C ATOM 262 CG TYR A 21 -1.049 7.848 19.827 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.607 6.599 19.408 1.00 0.00 C ATOM 264 CD2 TYR A 21 -0.098 8.830 20.077 1.00 0.00 C ATOM 265 CE1 TYR A 21 0.739 6.337 19.244 1.00 0.00 C ATOM 266 CE2 TYR A 21 1.250 8.577 19.914 1.00 0.00 C ATOM 267 CZ TYR A 21 1.664 7.328 19.497 1.00 0.00 C ATOM 268 OH TYR A 21 3.005 7.071 19.333 1.00 0.00 O ATOM 0 H TYR A 21 -3.137 6.272 18.512 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.244 8.794 18.902 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.643 9.011 20.638 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.983 7.295 20.536 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.328 5.820 19.207 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.419 9.808 20.404 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.066 5.360 18.919 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.976 9.352 20.112 1.00 0.00 H new ATOM 0 HH TYR A 21 3.521 7.875 19.552 1.00 0.00 H new ATOM 278 N ALA A 22 -1.396 8.835 17.227 1.00 0.00 N ATOM 279 CA ALA A 22 -0.560 9.655 16.358 1.00 0.00 C ATOM 280 C ALA A 22 -0.222 8.918 15.066 1.00 0.00 C ATOM 281 O ALA A 22 0.749 8.167 15.005 1.00 0.00 O ATOM 282 CB ALA A 22 0.713 10.064 17.084 1.00 0.00 C ATOM 0 H ALA A 22 -1.072 7.875 17.341 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.120 10.553 16.097 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.328 10.676 16.424 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.456 10.637 17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.269 9.172 17.374 1.00 0.00 H new ATOM 288 N GLY A 23 -1.032 9.139 14.035 1.00 0.00 N ATOM 289 CA GLY A 23 -0.803 8.488 12.759 1.00 0.00 C ATOM 290 C GLY A 23 -0.817 6.976 12.868 1.00 0.00 C ATOM 291 O GLY A 23 -0.859 6.426 13.969 1.00 0.00 O ATOM 0 H GLY A 23 -1.843 9.757 14.061 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.568 8.805 12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.157 8.811 12.357 1.00 0.00 H new ATOM 295 N PHE A 24 -0.784 6.301 11.724 1.00 0.00 N ATOM 296 CA PHE A 24 -0.796 4.843 11.696 1.00 0.00 C ATOM 297 C PHE A 24 0.575 4.281 12.058 1.00 0.00 C ATOM 298 O PHE A 24 0.702 3.115 12.430 1.00 0.00 O ATOM 299 CB PHE A 24 -1.216 4.342 10.312 1.00 0.00 C ATOM 300 CG PHE A 24 -2.658 4.615 9.989 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.651 3.741 10.400 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.019 5.744 9.272 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.978 3.989 10.104 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.344 5.998 8.974 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.325 5.118 9.389 1.00 0.00 C ATOM 0 H PHE A 24 -0.749 6.740 10.804 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.518 4.496 12.435 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.587 4.814 9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.035 3.269 10.252 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.385 2.856 10.958 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.256 6.434 8.942 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.743 3.300 10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.613 6.884 8.417 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.361 5.313 9.155 1.00 0.00 H new ATOM 315 N GLY A 25 1.601 5.119 11.945 1.00 0.00 N ATOM 316 CA GLY A 25 2.950 4.688 12.263 1.00 0.00 C ATOM 317 C GLY A 25 3.539 3.791 11.193 1.00 0.00 C ATOM 318 O GLY A 25 4.394 2.950 11.478 1.00 0.00 O ATOM 0 H GLY A 25 1.522 6.089 11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.587 5.563 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.944 4.157 13.215 1.00 0.00 H new ATOM 322 N LEU A 26 3.081 3.966 9.958 1.00 0.00 N ATOM 323 CA LEU A 26 3.568 3.163 8.841 1.00 0.00 C ATOM 324 C LEU A 26 4.519 3.971 7.964 1.00 0.00 C ATOM 325 O LEU A 26 4.186 5.067 7.513 1.00 0.00 O ATOM 326 CB LEU A 26 2.393 2.654 8.004 1.00 0.00 C ATOM 327 CG LEU A 26 2.654 1.394 7.178 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.343 0.334 8.024 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.353 0.856 6.601 1.00 0.00 C ATOM 0 H LEU A 26 2.374 4.656 9.705 1.00 0.00 H new ATOM 0 HA LEU A 26 4.113 2.311 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.554 2.459 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.083 3.450 7.327 1.00 0.00 H new ATOM 0 HG LEU A 26 3.315 1.655 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.521 -0.555 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.295 0.721 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.708 0.076 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.558 -0.041 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.669 0.611 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.899 1.612 5.960 1.00 0.00 H new ATOM 341 N THR A 27 5.705 3.421 7.724 1.00 0.00 N ATOM 342 CA THR A 27 6.705 4.089 6.900 1.00 0.00 C ATOM 343 C THR A 27 7.101 3.226 5.708 1.00 0.00 C ATOM 344 O THR A 27 7.026 1.997 5.766 1.00 0.00 O ATOM 345 CB THR A 27 7.967 4.431 7.714 1.00 0.00 C ATOM 346 OG1 THR A 27 7.611 5.196 8.871 1.00 0.00 O ATOM 347 CG2 THR A 27 8.962 5.211 6.869 1.00 0.00 C ATOM 0 H THR A 27 5.997 2.514 8.089 1.00 0.00 H new ATOM 0 HA THR A 27 6.252 5.013 6.541 1.00 0.00 H new ATOM 0 HB THR A 27 8.435 3.498 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.419 5.408 9.384 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.845 5.441 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.253 4.613 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.502 6.139 6.529 1.00 0.00 H new ATOM 355 N LEU A 28 7.523 3.874 4.628 1.00 0.00 N ATOM 356 CA LEU A 28 7.933 3.165 3.421 1.00 0.00 C ATOM 357 C LEU A 28 9.362 3.530 3.032 1.00 0.00 C ATOM 358 O LEU A 28 9.806 4.656 3.252 1.00 0.00 O ATOM 359 CB LEU A 28 6.980 3.487 2.268 1.00 0.00 C ATOM 360 CG LEU A 28 5.673 2.695 2.236 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.652 3.385 1.344 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.923 1.271 1.761 1.00 0.00 C ATOM 0 H LEU A 28 7.590 4.890 4.563 1.00 0.00 H new ATOM 0 HA LEU A 28 7.895 2.095 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.737 4.549 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.507 3.317 1.329 1.00 0.00 H new ATOM 0 HG LEU A 28 5.271 2.653 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.728 2.807 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.450 4.385 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.045 3.459 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.981 0.722 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.348 1.292 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.619 0.778 2.440 1.00 0.00 H new ATOM 374 N GLY A 29 10.076 2.571 2.452 1.00 0.00 N ATOM 375 CA GLY A 29 11.446 2.813 2.040 1.00 0.00 C ATOM 376 C GLY A 29 11.672 2.510 0.572 1.00 0.00 C ATOM 377 O GLY A 29 11.756 1.348 0.176 1.00 0.00 O ATOM 0 H GLY A 29 9.730 1.631 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.703 3.854 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.117 2.200 2.642 1.00 0.00 H new ATOM 381 N GLY A 30 11.771 3.559 -0.239 1.00 0.00 N ATOM 382 CA GLY A 30 11.986 3.379 -1.663 1.00 0.00 C ATOM 383 C GLY A 30 10.886 4.003 -2.499 1.00 0.00 C ATOM 384 O GLY A 30 10.648 5.207 -2.423 1.00 0.00 O ATOM 0 H GLY A 30 11.706 4.531 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.944 3.819 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.048 2.314 -1.886 1.00 0.00 H new ATOM 388 N GLY A 31 10.215 3.181 -3.300 1.00 0.00 N ATOM 389 CA GLY A 31 9.144 3.678 -4.144 1.00 0.00 C ATOM 390 C GLY A 31 9.660 4.457 -5.337 1.00 0.00 C ATOM 391 O GLY A 31 10.849 4.766 -5.418 1.00 0.00 O ATOM 0 H GLY A 31 10.394 2.180 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.543 2.839 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.487 4.317 -3.554 1.00 0.00 H new ATOM 395 N ARG A 32 8.765 4.774 -6.267 1.00 0.00 N ATOM 396 CA ARG A 32 9.138 5.519 -7.464 1.00 0.00 C ATOM 397 C ARG A 32 9.613 6.923 -7.104 1.00 0.00 C ATOM 398 O ARG A 32 8.809 7.797 -6.779 1.00 0.00 O ATOM 399 CB ARG A 32 7.954 5.601 -8.429 1.00 0.00 C ATOM 400 CG ARG A 32 8.358 5.872 -9.868 1.00 0.00 C ATOM 401 CD ARG A 32 7.144 6.095 -10.756 1.00 0.00 C ATOM 402 NE ARG A 32 7.408 5.732 -12.146 1.00 0.00 N ATOM 403 CZ ARG A 32 7.462 4.478 -12.580 1.00 0.00 C ATOM 404 NH1 ARG A 32 7.271 3.472 -11.738 1.00 0.00 N ATOM 405 NH2 ARG A 32 7.707 4.228 -13.860 1.00 0.00 N ATOM 0 H ARG A 32 7.777 4.527 -6.215 1.00 0.00 H new ATOM 0 HA ARG A 32 9.958 4.990 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.397 4.665 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.279 6.389 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.004 6.749 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.939 5.032 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.307 5.506 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.845 7.142 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 32 7.559 6.482 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.082 3.660 -10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.313 2.510 -12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.854 4.999 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.748 3.265 -14.193 1.00 0.00 H new ATOM 419 N ASP A 33 10.924 7.132 -7.164 1.00 0.00 N ATOM 420 CA ASP A 33 11.506 8.430 -6.845 1.00 0.00 C ATOM 421 C ASP A 33 12.311 8.969 -8.023 1.00 0.00 C ATOM 422 O ASP A 33 12.730 8.213 -8.900 1.00 0.00 O ATOM 423 CB ASP A 33 12.400 8.322 -5.608 1.00 0.00 C ATOM 424 CG ASP A 33 11.636 8.558 -4.320 1.00 0.00 C ATOM 425 OD1 ASP A 33 10.830 9.510 -4.274 1.00 0.00 O ATOM 426 OD2 ASP A 33 11.846 7.791 -3.357 1.00 0.00 O ATOM 0 H ASP A 33 11.603 6.419 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 33 10.692 9.124 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.858 7.333 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.210 9.047 -5.684 1.00 0.00 H new ATOM 431 N VAL A 34 12.523 10.281 -8.038 1.00 0.00 N ATOM 432 CA VAL A 34 13.278 10.922 -9.109 1.00 0.00 C ATOM 433 C VAL A 34 14.722 10.434 -9.131 1.00 0.00 C ATOM 434 O VAL A 34 15.309 10.249 -10.197 1.00 0.00 O ATOM 435 CB VAL A 34 13.268 12.455 -8.963 1.00 0.00 C ATOM 436 CG1 VAL A 34 14.114 12.884 -7.774 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.759 13.115 -10.243 1.00 0.00 C ATOM 0 H VAL A 34 12.183 10.921 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 34 12.791 10.651 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 34 12.243 12.779 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.095 13.970 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.713 12.440 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.141 12.550 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.745 14.198 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.776 12.786 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.107 12.834 -11.070 1.00 0.00 H new ATOM 447 N ALA A 35 15.289 10.226 -7.948 1.00 0.00 N ATOM 448 CA ALA A 35 16.664 9.757 -7.831 1.00 0.00 C ATOM 449 C ALA A 35 16.723 8.234 -7.786 1.00 0.00 C ATOM 450 O ALA A 35 17.656 7.655 -7.232 1.00 0.00 O ATOM 451 CB ALA A 35 17.321 10.349 -6.593 1.00 0.00 C ATOM 0 H ALA A 35 14.817 10.375 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 35 17.211 10.090 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.347 9.990 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.322 11.437 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.765 10.045 -5.706 1.00 0.00 H new ATOM 457 N GLY A 36 15.718 7.590 -8.372 1.00 0.00 N ATOM 458 CA GLY A 36 15.674 6.139 -8.386 1.00 0.00 C ATOM 459 C GLY A 36 14.261 5.601 -8.283 1.00 0.00 C ATOM 460 O GLY A 36 13.429 6.155 -7.564 1.00 0.00 O ATOM 0 H GLY A 36 14.934 8.047 -8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.133 5.774 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.268 5.753 -7.558 1.00 0.00 H new ATOM 464 N ASP A 37 13.988 4.519 -9.004 1.00 0.00 N ATOM 465 CA ASP A 37 12.664 3.906 -8.991 1.00 0.00 C ATOM 466 C ASP A 37 12.714 2.521 -8.355 1.00 0.00 C ATOM 467 O ASP A 37 13.338 1.602 -8.887 1.00 0.00 O ATOM 468 CB ASP A 37 12.111 3.808 -10.414 1.00 0.00 C ATOM 469 CG ASP A 37 11.736 5.162 -10.984 1.00 0.00 C ATOM 470 OD1 ASP A 37 12.357 6.167 -10.581 1.00 0.00 O ATOM 471 OD2 ASP A 37 10.821 5.216 -11.832 1.00 0.00 O ATOM 0 H ASP A 37 14.665 4.048 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 37 12.004 4.536 -8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.855 3.339 -11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.234 3.161 -10.416 1.00 0.00 H new ATOM 476 N THR A 38 12.052 2.377 -7.211 1.00 0.00 N ATOM 477 CA THR A 38 12.022 1.105 -6.500 1.00 0.00 C ATOM 478 C THR A 38 10.601 0.738 -6.088 1.00 0.00 C ATOM 479 O THR A 38 9.732 1.596 -5.937 1.00 0.00 O ATOM 480 CB THR A 38 12.914 1.141 -5.245 1.00 0.00 C ATOM 481 OG1 THR A 38 12.724 2.376 -4.544 1.00 0.00 O ATOM 482 CG2 THR A 38 14.381 0.986 -5.618 1.00 0.00 C ATOM 0 H THR A 38 11.529 3.126 -6.757 1.00 0.00 H new ATOM 0 HA THR A 38 12.405 0.351 -7.188 1.00 0.00 H new ATOM 0 HB THR A 38 12.629 0.309 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.402 2.461 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.991 1.015 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.529 0.033 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.676 1.800 -6.281 1.00 0.00 H new ATOM 490 N PRO A 39 10.356 -0.568 -5.902 1.00 0.00 N ATOM 491 CA PRO A 39 9.041 -1.078 -5.504 1.00 0.00 C ATOM 492 C PRO A 39 8.685 -0.706 -4.069 1.00 0.00 C ATOM 493 O PRO A 39 9.352 -1.128 -3.124 1.00 0.00 O ATOM 494 CB PRO A 39 9.192 -2.595 -5.642 1.00 0.00 C ATOM 495 CG PRO A 39 10.651 -2.846 -5.481 1.00 0.00 C ATOM 496 CD PRO A 39 11.345 -1.647 -6.065 1.00 0.00 C ATOM 0 HA PRO A 39 8.240 -0.659 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.614 -3.121 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.835 -2.942 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.911 -2.974 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.949 -3.759 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.273 -1.424 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.602 -1.802 -7.113 1.00 0.00 H new ATOM 504 N LEU A 40 7.630 0.086 -3.912 1.00 0.00 N ATOM 505 CA LEU A 40 7.184 0.515 -2.591 1.00 0.00 C ATOM 506 C LEU A 40 6.966 -0.685 -1.674 1.00 0.00 C ATOM 507 O LEU A 40 6.227 -1.610 -2.012 1.00 0.00 O ATOM 508 CB LEU A 40 5.892 1.326 -2.705 1.00 0.00 C ATOM 509 CG LEU A 40 6.061 2.823 -2.964 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.709 3.481 -3.193 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.789 3.487 -1.805 1.00 0.00 C ATOM 0 H LEU A 40 7.067 0.444 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 40 7.962 1.143 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.291 0.904 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.324 1.199 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 40 6.662 2.950 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.849 4.546 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.224 3.025 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.083 3.343 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.900 4.552 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.215 3.350 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.774 3.035 -1.688 1.00 0.00 H new ATOM 523 N ALA A 41 7.611 -0.661 -0.513 1.00 0.00 N ATOM 524 CA ALA A 41 7.484 -1.744 0.454 1.00 0.00 C ATOM 525 C ALA A 41 7.691 -1.237 1.877 1.00 0.00 C ATOM 526 O ALA A 41 8.562 -0.404 2.129 1.00 0.00 O ATOM 527 CB ALA A 41 8.476 -2.854 0.138 1.00 0.00 C ATOM 0 H ALA A 41 8.227 0.097 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 41 6.473 -2.144 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.370 -3.656 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.279 -3.244 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.491 -2.458 0.179 1.00 0.00 H new ATOM 533 N VAL A 42 6.885 -1.744 2.805 1.00 0.00 N ATOM 534 CA VAL A 42 6.980 -1.342 4.203 1.00 0.00 C ATOM 535 C VAL A 42 8.431 -1.326 4.672 1.00 0.00 C ATOM 536 O VAL A 42 9.208 -2.225 4.352 1.00 0.00 O ATOM 537 CB VAL A 42 6.169 -2.282 5.114 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.408 -1.946 6.578 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.688 -2.203 4.775 1.00 0.00 C ATOM 0 H VAL A 42 6.159 -2.434 2.613 1.00 0.00 H new ATOM 0 HA VAL A 42 6.567 -0.336 4.272 1.00 0.00 H new ATOM 0 HB VAL A 42 6.504 -3.305 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.826 -2.621 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.467 -2.058 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.102 -0.918 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.129 -2.873 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.336 -1.181 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.536 -2.498 3.737 1.00 0.00 H new ATOM 549 N ARG A 43 8.789 -0.296 5.433 1.00 0.00 N ATOM 550 CA ARG A 43 10.147 -0.162 5.946 1.00 0.00 C ATOM 551 C ARG A 43 10.190 -0.431 7.447 1.00 0.00 C ATOM 552 O ARG A 43 10.727 -1.445 7.892 1.00 0.00 O ATOM 553 CB ARG A 43 10.690 1.238 5.652 1.00 0.00 C ATOM 554 CG ARG A 43 12.187 1.370 5.877 1.00 0.00 C ATOM 555 CD ARG A 43 12.506 1.710 7.324 1.00 0.00 C ATOM 556 NE ARG A 43 13.942 1.679 7.590 1.00 0.00 N ATOM 557 CZ ARG A 43 14.472 1.908 8.786 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.690 2.183 9.821 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.788 1.862 8.949 1.00 0.00 N ATOM 0 H ARG A 43 8.158 0.457 5.707 1.00 0.00 H new ATOM 0 HA ARG A 43 10.773 -0.900 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.462 1.497 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.171 1.960 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.680 0.437 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.587 2.145 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.115 2.700 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.000 1.004 7.982 1.00 0.00 H new ATOM 0 HE ARG A 43 14.572 1.470 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.678 2.219 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.101 2.358 10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.393 1.651 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.195 2.038 9.868 1.00 0.00 H new ATOM 573 N GLY A 44 9.620 0.486 8.224 1.00 0.00 N ATOM 574 CA GLY A 44 9.605 0.329 9.667 1.00 0.00 C ATOM 575 C GLY A 44 8.198 0.281 10.230 1.00 0.00 C ATOM 576 O GLY A 44 7.255 0.768 9.606 1.00 0.00 O ATOM 0 H GLY A 44 9.169 1.334 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.132 -0.587 9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.148 1.155 10.125 1.00 0.00 H new ATOM 580 N LEU A 45 8.056 -0.309 11.412 1.00 0.00 N ATOM 581 CA LEU A 45 6.754 -0.421 12.059 1.00 0.00 C ATOM 582 C LEU A 45 6.748 0.303 13.401 1.00 0.00 C ATOM 583 O LEU A 45 7.319 -0.178 14.381 1.00 0.00 O ATOM 584 CB LEU A 45 6.387 -1.893 12.259 1.00 0.00 C ATOM 585 CG LEU A 45 5.662 -2.569 11.095 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.456 -4.048 11.381 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.329 -1.885 10.828 1.00 0.00 C ATOM 0 H LEU A 45 8.826 -0.717 11.941 1.00 0.00 H new ATOM 0 HA LEU A 45 6.013 0.048 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.301 -2.450 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.760 -1.973 13.147 1.00 0.00 H new ATOM 0 HG LEU A 45 6.281 -2.475 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.939 -4.512 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.424 -4.530 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.858 -4.164 12.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.827 -2.379 9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.703 -1.947 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.501 -0.838 10.578 1.00 0.00 H new ATOM 599 N LEU A 46 6.098 1.461 13.440 1.00 0.00 N ATOM 600 CA LEU A 46 6.016 2.252 14.663 1.00 0.00 C ATOM 601 C LEU A 46 5.594 1.384 15.845 1.00 0.00 C ATOM 602 O LEU A 46 4.481 0.860 15.879 1.00 0.00 O ATOM 603 CB LEU A 46 5.026 3.404 14.483 1.00 0.00 C ATOM 604 CG LEU A 46 5.277 4.645 15.340 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.918 4.373 16.792 1.00 0.00 C ATOM 606 CD2 LEU A 46 6.728 5.090 15.222 1.00 0.00 C ATOM 0 H LEU A 46 5.620 1.873 12.639 1.00 0.00 H new ATOM 0 HA LEU A 46 7.005 2.660 14.870 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.034 3.703 13.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.024 3.033 14.701 1.00 0.00 H new ATOM 0 HG LEU A 46 4.640 5.450 14.974 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.103 5.268 17.386 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.864 4.103 16.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.529 3.553 17.170 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.889 5.974 15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.383 4.288 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.952 5.327 14.182 1.00 0.00 H new ATOM 618 N LYS A 47 6.491 1.239 16.814 1.00 0.00 N ATOM 619 CA LYS A 47 6.213 0.439 18.001 1.00 0.00 C ATOM 620 C LYS A 47 4.903 0.869 18.653 1.00 0.00 C ATOM 621 O LYS A 47 4.480 2.018 18.519 1.00 0.00 O ATOM 622 CB LYS A 47 7.360 0.563 19.006 1.00 0.00 C ATOM 623 CG LYS A 47 7.290 -0.448 20.137 1.00 0.00 C ATOM 624 CD LYS A 47 7.291 -1.873 19.612 1.00 0.00 C ATOM 625 CE LYS A 47 8.310 -2.056 18.497 1.00 0.00 C ATOM 626 NZ LYS A 47 8.510 -3.492 18.159 1.00 0.00 N ATOM 0 H LYS A 47 7.418 1.665 16.801 1.00 0.00 H new ATOM 0 HA LYS A 47 6.120 -0.602 17.692 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.307 0.442 18.480 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.355 1.568 19.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.138 -0.305 20.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.388 -0.276 20.724 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.514 -2.562 20.427 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.297 -2.127 19.243 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.978 -1.517 17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.261 -1.618 18.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.211 -3.575 17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.851 -4.002 18.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.608 -3.904 17.846 1.00 0.00 H new ATOM 640 N ASP A 48 4.266 -0.058 19.359 1.00 0.00 N ATOM 641 CA ASP A 48 3.005 0.227 20.034 1.00 0.00 C ATOM 642 C ASP A 48 2.032 0.930 19.093 1.00 0.00 C ATOM 643 O ASP A 48 1.191 1.716 19.528 1.00 0.00 O ATOM 644 CB ASP A 48 3.249 1.088 21.274 1.00 0.00 C ATOM 645 CG ASP A 48 3.719 2.486 20.924 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.860 3.347 20.635 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.945 2.721 20.939 1.00 0.00 O ATOM 0 H ASP A 48 4.602 -1.014 19.479 1.00 0.00 H new ATOM 0 HA ASP A 48 2.563 -0.721 20.342 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.329 1.152 21.855 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.993 0.605 21.907 1.00 0.00 H new ATOM 652 N GLY A 49 2.153 0.643 17.801 1.00 0.00 N ATOM 653 CA GLY A 49 1.279 1.257 16.819 1.00 0.00 C ATOM 654 C GLY A 49 0.164 0.331 16.375 1.00 0.00 C ATOM 655 O GLY A 49 0.113 -0.839 16.753 1.00 0.00 O ATOM 0 H GLY A 49 2.841 -0.004 17.417 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.847 2.165 17.239 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.866 1.556 15.951 1.00 0.00 H new ATOM 659 N PRO A 50 -0.756 0.858 15.553 1.00 0.00 N ATOM 660 CA PRO A 50 -1.893 0.088 15.040 1.00 0.00 C ATOM 661 C PRO A 50 -1.466 -0.978 14.037 1.00 0.00 C ATOM 662 O PRO A 50 -1.936 -2.114 14.086 1.00 0.00 O ATOM 663 CB PRO A 50 -2.761 1.148 14.357 1.00 0.00 C ATOM 664 CG PRO A 50 -1.811 2.234 13.988 1.00 0.00 C ATOM 665 CD PRO A 50 -0.758 2.246 15.062 1.00 0.00 C ATOM 0 HA PRO A 50 -2.406 -0.457 15.832 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.261 0.743 13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.540 1.514 15.026 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.368 2.049 13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.321 3.196 13.931 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.216 2.534 14.667 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.001 2.953 15.855 1.00 0.00 H new ATOM 673 N ALA A 51 -0.571 -0.604 13.128 1.00 0.00 N ATOM 674 CA ALA A 51 -0.079 -1.529 12.115 1.00 0.00 C ATOM 675 C ALA A 51 0.685 -2.685 12.752 1.00 0.00 C ATOM 676 O ALA A 51 0.332 -3.849 12.569 1.00 0.00 O ATOM 677 CB ALA A 51 0.805 -0.796 11.116 1.00 0.00 C ATOM 0 H ALA A 51 -0.172 0.333 13.073 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.939 -1.943 11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.166 -1.499 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.229 -0.009 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.654 -0.355 11.637 1.00 0.00 H new ATOM 683 N GLN A 52 1.734 -2.354 13.499 1.00 0.00 N ATOM 684 CA GLN A 52 2.549 -3.366 14.161 1.00 0.00 C ATOM 685 C GLN A 52 1.680 -4.306 14.991 1.00 0.00 C ATOM 686 O GLN A 52 1.783 -5.527 14.874 1.00 0.00 O ATOM 687 CB GLN A 52 3.599 -2.702 15.053 1.00 0.00 C ATOM 688 CG GLN A 52 4.473 -3.693 15.804 1.00 0.00 C ATOM 689 CD GLN A 52 5.134 -4.702 14.886 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.467 -5.554 14.298 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.453 -4.611 14.757 1.00 0.00 N ATOM 0 H GLN A 52 2.039 -1.394 13.661 1.00 0.00 H new ATOM 0 HA GLN A 52 3.054 -3.951 13.392 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.234 -2.063 14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.096 -2.056 15.772 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.242 -3.150 16.354 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.867 -4.220 16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.966 -3.889 15.263 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.952 -5.263 14.152 1.00 0.00 H new ATOM 700 N ARG A 53 0.826 -3.729 15.830 1.00 0.00 N ATOM 701 CA ARG A 53 -0.059 -4.515 16.681 1.00 0.00 C ATOM 702 C ARG A 53 -0.882 -5.495 15.850 1.00 0.00 C ATOM 703 O ARG A 53 -1.036 -6.660 16.219 1.00 0.00 O ATOM 704 CB ARG A 53 -0.989 -3.595 17.474 1.00 0.00 C ATOM 705 CG ARG A 53 -0.419 -3.162 18.815 1.00 0.00 C ATOM 706 CD ARG A 53 -1.522 -2.849 19.814 1.00 0.00 C ATOM 707 NE ARG A 53 -2.356 -4.015 20.092 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.979 -5.017 20.878 1.00 0.00 C ATOM 709 NH1 ARG A 53 -0.789 -4.995 21.462 1.00 0.00 N ATOM 710 NH2 ARG A 53 -2.795 -6.044 21.082 1.00 0.00 N ATOM 0 H ARG A 53 0.728 -2.720 15.939 1.00 0.00 H new ATOM 0 HA ARG A 53 0.558 -5.084 17.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.205 -2.709 16.877 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.937 -4.106 17.640 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.220 -3.951 19.212 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.209 -2.282 18.677 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.079 -2.491 20.743 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.144 -2.043 19.426 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.278 -4.063 19.659 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.160 -4.207 21.308 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.503 -5.766 22.065 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.712 -6.064 20.635 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.505 -6.813 21.686 1.00 0.00 H new ATOM 724 N CYS A 54 -1.409 -5.015 14.729 1.00 0.00 N ATOM 725 CA CYS A 54 -2.218 -5.849 13.847 1.00 0.00 C ATOM 726 C CYS A 54 -1.403 -7.020 13.307 1.00 0.00 C ATOM 727 O CYS A 54 -1.918 -8.126 13.147 1.00 0.00 O ATOM 728 CB CYS A 54 -2.768 -5.017 12.688 1.00 0.00 C ATOM 729 SG CYS A 54 -3.854 -5.934 11.571 1.00 0.00 S ATOM 0 H CYS A 54 -1.291 -4.054 14.409 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.051 -6.247 14.427 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.316 -4.167 13.093 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.932 -4.614 12.116 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.270 -5.145 10.625 1.00 0.00 H new ATOM 735 N GLY A 55 -0.128 -6.768 13.027 1.00 0.00 N ATOM 736 CA GLY A 55 0.737 -7.810 12.506 1.00 0.00 C ATOM 737 C GLY A 55 0.555 -8.024 11.016 1.00 0.00 C ATOM 738 O GLY A 55 1.525 -8.242 10.291 1.00 0.00 O ATOM 0 H GLY A 55 0.321 -5.861 13.152 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.776 -7.550 12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.534 -8.743 13.031 1.00 0.00 H new ATOM 742 N ARG A 56 -0.691 -7.962 10.559 1.00 0.00 N ATOM 743 CA ARG A 56 -0.997 -8.154 9.146 1.00 0.00 C ATOM 744 C ARG A 56 0.102 -7.564 8.267 1.00 0.00 C ATOM 745 O ARG A 56 0.458 -8.133 7.234 1.00 0.00 O ATOM 746 CB ARG A 56 -2.341 -7.509 8.802 1.00 0.00 C ATOM 747 CG ARG A 56 -3.534 -8.419 9.047 1.00 0.00 C ATOM 748 CD ARG A 56 -4.843 -7.727 8.700 1.00 0.00 C ATOM 749 NE ARG A 56 -5.994 -8.409 9.284 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.477 -9.559 8.826 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.911 -10.151 7.783 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.529 -10.118 9.411 1.00 0.00 N ATOM 0 H ARG A 56 -1.505 -7.780 11.146 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.056 -9.225 8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.460 -6.601 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.333 -7.209 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.431 -9.325 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.550 -8.727 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.814 -6.697 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.956 -7.688 7.617 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.452 -7.979 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.103 -9.724 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.284 -11.034 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.967 -9.665 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.899 -11.001 9.059 1.00 0.00 H new ATOM 766 N LEU A 57 0.636 -6.421 8.683 1.00 0.00 N ATOM 767 CA LEU A 57 1.695 -5.754 7.934 1.00 0.00 C ATOM 768 C LEU A 57 3.063 -6.059 8.535 1.00 0.00 C ATOM 769 O LEU A 57 3.267 -5.917 9.740 1.00 0.00 O ATOM 770 CB LEU A 57 1.459 -4.243 7.916 1.00 0.00 C ATOM 771 CG LEU A 57 0.358 -3.747 6.979 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.521 -2.260 6.702 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.367 -4.537 5.679 1.00 0.00 C ATOM 0 H LEU A 57 0.353 -5.937 9.535 1.00 0.00 H new ATOM 0 HA LEU A 57 1.676 -6.131 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.218 -3.921 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.392 -3.753 7.639 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.604 -3.901 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.272 -1.925 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.463 -1.707 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.489 -2.081 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.424 -4.170 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.332 -4.416 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.199 -5.592 5.893 1.00 0.00 H new ATOM 785 N GLU A 58 3.997 -6.478 7.687 1.00 0.00 N ATOM 786 CA GLU A 58 5.346 -6.801 8.135 1.00 0.00 C ATOM 787 C GLU A 58 6.390 -6.177 7.214 1.00 0.00 C ATOM 788 O GLU A 58 6.085 -5.783 6.088 1.00 0.00 O ATOM 789 CB GLU A 58 5.539 -8.318 8.189 1.00 0.00 C ATOM 790 CG GLU A 58 5.160 -8.933 9.526 1.00 0.00 C ATOM 791 CD GLU A 58 6.225 -8.728 10.585 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.406 -7.576 11.031 1.00 0.00 O ATOM 793 OE2 GLU A 58 6.879 -9.721 10.969 1.00 0.00 O ATOM 0 H GLU A 58 3.844 -6.602 6.686 1.00 0.00 H new ATOM 0 HA GLU A 58 5.477 -6.389 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.941 -8.780 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.582 -8.551 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.222 -8.496 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.985 -10.001 9.394 1.00 0.00 H new ATOM 800 N VAL A 59 7.624 -6.091 7.700 1.00 0.00 N ATOM 801 CA VAL A 59 8.714 -5.515 6.922 1.00 0.00 C ATOM 802 C VAL A 59 9.100 -6.425 5.761 1.00 0.00 C ATOM 803 O VAL A 59 9.350 -7.615 5.948 1.00 0.00 O ATOM 804 CB VAL A 59 9.957 -5.263 7.797 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.051 -4.584 6.987 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.589 -4.430 9.015 1.00 0.00 C ATOM 0 H VAL A 59 7.894 -6.413 8.629 1.00 0.00 H new ATOM 0 HA VAL A 59 8.355 -4.563 6.531 1.00 0.00 H new ATOM 0 HB VAL A 59 10.338 -6.224 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.921 -4.414 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.332 -5.222 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.685 -3.629 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.478 -4.261 9.622 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.183 -3.472 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.841 -4.960 9.606 1.00 0.00 H new ATOM 816 N GLY A 60 9.148 -5.855 4.560 1.00 0.00 N ATOM 817 CA GLY A 60 9.505 -6.630 3.386 1.00 0.00 C ATOM 818 C GLY A 60 8.315 -6.905 2.489 1.00 0.00 C ATOM 819 O GLY A 60 8.427 -7.634 1.503 1.00 0.00 O ATOM 0 H GLY A 60 8.946 -4.872 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.267 -6.095 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.946 -7.576 3.699 1.00 0.00 H new ATOM 823 N ASP A 61 7.171 -6.323 2.832 1.00 0.00 N ATOM 824 CA ASP A 61 5.954 -6.511 2.051 1.00 0.00 C ATOM 825 C ASP A 61 6.007 -5.702 0.759 1.00 0.00 C ATOM 826 O ASP A 61 6.702 -4.689 0.676 1.00 0.00 O ATOM 827 CB ASP A 61 4.728 -6.104 2.871 1.00 0.00 C ATOM 828 CG ASP A 61 4.365 -7.135 3.921 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.288 -7.767 4.477 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.158 -7.311 4.187 1.00 0.00 O ATOM 0 H ASP A 61 7.061 -5.717 3.645 1.00 0.00 H new ATOM 0 HA ASP A 61 5.876 -7.568 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.921 -5.147 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.880 -5.957 2.202 1.00 0.00 H new ATOM 835 N LEU A 62 5.271 -6.158 -0.249 1.00 0.00 N ATOM 836 CA LEU A 62 5.236 -5.478 -1.539 1.00 0.00 C ATOM 837 C LEU A 62 3.883 -4.810 -1.765 1.00 0.00 C ATOM 838 O LEU A 62 2.848 -5.475 -1.796 1.00 0.00 O ATOM 839 CB LEU A 62 5.523 -6.469 -2.668 1.00 0.00 C ATOM 840 CG LEU A 62 6.816 -7.275 -2.541 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.887 -8.345 -3.620 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.027 -6.357 -2.617 1.00 0.00 C ATOM 0 H LEU A 62 4.691 -6.995 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 62 6.006 -4.707 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.688 -7.167 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.552 -5.919 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 62 6.820 -7.768 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.814 -8.908 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.038 -9.021 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.860 -7.873 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.938 -6.948 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.028 -5.835 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.983 -5.629 -1.807 1.00 0.00 H new ATOM 854 N VAL A 63 3.900 -3.490 -1.925 1.00 0.00 N ATOM 855 CA VAL A 63 2.675 -2.732 -2.152 1.00 0.00 C ATOM 856 C VAL A 63 2.344 -2.656 -3.638 1.00 0.00 C ATOM 857 O VAL A 63 3.140 -2.164 -4.439 1.00 0.00 O ATOM 858 CB VAL A 63 2.788 -1.303 -1.589 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.418 -0.643 -1.530 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.439 -1.322 -0.214 1.00 0.00 C ATOM 0 H VAL A 63 4.748 -2.924 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 63 1.875 -3.258 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 63 3.419 -0.717 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.517 0.366 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.994 -0.595 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.761 -1.226 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.511 -0.304 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.836 -1.924 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.438 -1.752 -0.290 1.00 0.00 H new ATOM 870 N LEU A 64 1.163 -3.146 -4.001 1.00 0.00 N ATOM 871 CA LEU A 64 0.725 -3.134 -5.392 1.00 0.00 C ATOM 872 C LEU A 64 -0.167 -1.928 -5.671 1.00 0.00 C ATOM 873 O LEU A 64 -0.127 -1.352 -6.758 1.00 0.00 O ATOM 874 CB LEU A 64 -0.026 -4.425 -5.722 1.00 0.00 C ATOM 875 CG LEU A 64 0.770 -5.722 -5.571 1.00 0.00 C ATOM 876 CD1 LEU A 64 -0.044 -6.908 -6.065 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.090 -5.628 -6.322 1.00 0.00 C ATOM 0 H LEU A 64 0.492 -3.556 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 64 1.609 -3.063 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.905 -4.485 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.385 -4.360 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 64 0.987 -5.872 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.538 -7.822 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.962 -6.987 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.292 -6.766 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.643 -6.560 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.895 -5.454 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.679 -4.803 -5.921 1.00 0.00 H new ATOM 889 N HIS A 65 -0.969 -1.550 -4.681 1.00 0.00 N ATOM 890 CA HIS A 65 -1.869 -0.410 -4.819 1.00 0.00 C ATOM 891 C HIS A 65 -2.144 0.232 -3.462 1.00 0.00 C ATOM 892 O HIS A 65 -1.593 -0.187 -2.444 1.00 0.00 O ATOM 893 CB HIS A 65 -3.184 -0.847 -5.466 1.00 0.00 C ATOM 894 CG HIS A 65 -2.998 -1.707 -6.678 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.471 -1.235 -7.861 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.273 -3.016 -6.886 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.430 -2.216 -8.745 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.910 -3.308 -8.177 1.00 0.00 N ATOM 0 H HIS A 65 -1.014 -2.016 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.386 0.328 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.777 -1.392 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.755 0.039 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.699 -3.703 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.066 -2.138 -9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.997 -4.220 -8.625 1.00 0.00 H new ATOM 907 N ILE A 66 -2.998 1.249 -3.457 1.00 0.00 N ATOM 908 CA ILE A 66 -3.346 1.948 -2.226 1.00 0.00 C ATOM 909 C ILE A 66 -4.713 2.614 -2.340 1.00 0.00 C ATOM 910 O ILE A 66 -4.963 3.389 -3.262 1.00 0.00 O ATOM 911 CB ILE A 66 -2.295 3.016 -1.869 1.00 0.00 C ATOM 912 CG1 ILE A 66 -0.933 2.362 -1.629 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.735 3.803 -0.644 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.161 3.351 -1.292 1.00 0.00 C ATOM 0 H ILE A 66 -3.462 1.608 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.374 1.199 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.202 3.708 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.023 1.641 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.645 1.804 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.982 4.554 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.686 4.295 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.853 3.125 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.098 2.817 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.279 4.057 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.105 3.892 -0.384 1.00 0.00 H new ATOM 926 N ASN A 67 -5.595 2.308 -1.394 1.00 0.00 N ATOM 927 CA ASN A 67 -6.937 2.878 -1.386 1.00 0.00 C ATOM 928 C ASN A 67 -7.579 2.777 -2.767 1.00 0.00 C ATOM 929 O ASN A 67 -8.086 3.762 -3.301 1.00 0.00 O ATOM 930 CB ASN A 67 -6.890 4.340 -0.939 1.00 0.00 C ATOM 931 CG ASN A 67 -6.363 4.496 0.474 1.00 0.00 C ATOM 932 OD1 ASN A 67 -7.042 4.156 1.443 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.147 5.014 0.598 1.00 0.00 N ATOM 0 H ASN A 67 -5.404 1.668 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.542 2.309 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.259 4.906 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.891 4.768 -1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.740 5.144 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.620 5.282 -0.233 1.00 0.00 H new ATOM 940 N GLY A 68 -7.552 1.577 -3.339 1.00 0.00 N ATOM 941 CA GLY A 68 -8.135 1.368 -4.652 1.00 0.00 C ATOM 942 C GLY A 68 -7.507 2.252 -5.711 1.00 0.00 C ATOM 943 O GLY A 68 -8.088 2.463 -6.775 1.00 0.00 O ATOM 0 H GLY A 68 -7.137 0.746 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.015 0.323 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.206 1.565 -4.606 1.00 0.00 H new ATOM 947 N GLU A 69 -6.318 2.770 -5.419 1.00 0.00 N ATOM 948 CA GLU A 69 -5.614 3.638 -6.355 1.00 0.00 C ATOM 949 C GLU A 69 -4.414 2.919 -6.966 1.00 0.00 C ATOM 950 O GLU A 69 -3.711 2.173 -6.284 1.00 0.00 O ATOM 951 CB GLU A 69 -5.153 4.916 -5.652 1.00 0.00 C ATOM 952 CG GLU A 69 -4.762 6.030 -6.609 1.00 0.00 C ATOM 953 CD GLU A 69 -5.799 6.262 -7.690 1.00 0.00 C ATOM 954 OE1 GLU A 69 -7.006 6.161 -7.384 1.00 0.00 O ATOM 955 OE2 GLU A 69 -5.406 6.544 -8.841 1.00 0.00 O ATOM 0 H GLU A 69 -5.823 2.604 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.304 3.902 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.952 5.271 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.302 4.682 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.616 6.952 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.807 5.786 -7.074 1.00 0.00 H new ATOM 962 N SER A 70 -4.187 3.150 -8.255 1.00 0.00 N ATOM 963 CA SER A 70 -3.075 2.522 -8.960 1.00 0.00 C ATOM 964 C SER A 70 -1.786 3.311 -8.754 1.00 0.00 C ATOM 965 O SER A 70 -1.689 4.477 -9.141 1.00 0.00 O ATOM 966 CB SER A 70 -3.387 2.412 -10.453 1.00 0.00 C ATOM 967 OG SER A 70 -3.752 3.671 -10.992 1.00 0.00 O ATOM 0 H SER A 70 -4.758 3.767 -8.833 1.00 0.00 H new ATOM 0 HA SER A 70 -2.936 1.521 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.516 2.025 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.197 1.699 -10.607 1.00 0.00 H new ATOM 0 HG SER A 70 -3.199 4.372 -10.589 1.00 0.00 H new ATOM 973 N THR A 71 -0.796 2.668 -8.143 1.00 0.00 N ATOM 974 CA THR A 71 0.487 3.309 -7.884 1.00 0.00 C ATOM 975 C THR A 71 1.422 3.169 -9.080 1.00 0.00 C ATOM 976 O THR A 71 2.620 3.431 -8.976 1.00 0.00 O ATOM 977 CB THR A 71 1.171 2.714 -6.639 1.00 0.00 C ATOM 978 OG1 THR A 71 2.378 3.430 -6.354 1.00 0.00 O ATOM 979 CG2 THR A 71 1.487 1.240 -6.848 1.00 0.00 C ATOM 0 H THR A 71 -0.858 1.703 -7.818 1.00 0.00 H new ATOM 0 HA THR A 71 0.283 4.365 -7.707 1.00 0.00 H new ATOM 0 HB THR A 71 0.486 2.807 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.934 3.468 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.970 0.841 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.563 0.693 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.155 1.129 -7.702 1.00 0.00 H new ATOM 987 N GLN A 72 0.867 2.756 -10.215 1.00 0.00 N ATOM 988 CA GLN A 72 1.653 2.582 -11.430 1.00 0.00 C ATOM 989 C GLN A 72 2.361 3.878 -11.811 1.00 0.00 C ATOM 990 O GLN A 72 3.341 3.866 -12.555 1.00 0.00 O ATOM 991 CB GLN A 72 0.756 2.120 -12.581 1.00 0.00 C ATOM 992 CG GLN A 72 1.496 1.333 -13.650 1.00 0.00 C ATOM 993 CD GLN A 72 1.628 -0.138 -13.306 1.00 0.00 C ATOM 994 OE1 GLN A 72 1.449 -0.536 -12.154 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.943 -0.954 -14.305 1.00 0.00 N ATOM 0 H GLN A 72 -0.124 2.536 -10.318 1.00 0.00 H new ATOM 0 HA GLN A 72 2.408 1.820 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.048 1.504 -12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.290 2.992 -13.040 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.970 1.434 -14.600 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.489 1.760 -13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.082 -0.581 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.046 -1.954 -14.133 1.00 0.00 H new ATOM 1004 N GLY A 73 1.859 4.995 -11.294 1.00 0.00 N ATOM 1005 CA GLY A 73 2.456 6.284 -11.592 1.00 0.00 C ATOM 1006 C GLY A 73 2.498 7.196 -10.382 1.00 0.00 C ATOM 1007 O GLY A 73 2.692 8.405 -10.513 1.00 0.00 O ATOM 0 H GLY A 73 1.050 5.031 -10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.469 6.134 -11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.890 6.768 -12.388 1.00 0.00 H new ATOM 1011 N LEU A 74 2.314 6.618 -9.200 1.00 0.00 N ATOM 1012 CA LEU A 74 2.330 7.388 -7.961 1.00 0.00 C ATOM 1013 C LEU A 74 3.660 7.220 -7.233 1.00 0.00 C ATOM 1014 O LEU A 74 4.040 6.110 -6.858 1.00 0.00 O ATOM 1015 CB LEU A 74 1.180 6.952 -7.052 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.228 7.118 -7.625 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.275 6.806 -6.567 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.420 8.526 -8.169 1.00 0.00 C ATOM 0 H LEU A 74 2.152 5.619 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 74 2.206 8.441 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.325 5.903 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.242 7.519 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.350 6.413 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.271 6.929 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.152 5.778 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.154 7.486 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.428 8.626 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.278 9.249 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.307 8.713 -8.959 1.00 0.00 H new ATOM 1030 N THR A 75 4.365 8.330 -7.035 1.00 0.00 N ATOM 1031 CA THR A 75 5.651 8.306 -6.351 1.00 0.00 C ATOM 1032 C THR A 75 5.472 8.122 -4.848 1.00 0.00 C ATOM 1033 O THR A 75 4.357 7.920 -4.366 1.00 0.00 O ATOM 1034 CB THR A 75 6.447 9.600 -6.607 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.678 10.737 -6.200 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.813 9.729 -8.078 1.00 0.00 C ATOM 0 H THR A 75 4.066 9.257 -7.339 1.00 0.00 H new ATOM 0 HA THR A 75 6.207 7.460 -6.754 1.00 0.00 H new ATOM 0 HB THR A 75 7.366 9.556 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.192 11.555 -6.364 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.374 10.650 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.423 8.877 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.904 9.752 -8.679 1.00 0.00 H new ATOM 1044 N HIS A 76 6.577 8.192 -4.112 1.00 0.00 N ATOM 1045 CA HIS A 76 6.541 8.034 -2.663 1.00 0.00 C ATOM 1046 C HIS A 76 5.650 9.094 -2.022 1.00 0.00 C ATOM 1047 O HIS A 76 4.912 8.812 -1.079 1.00 0.00 O ATOM 1048 CB HIS A 76 7.954 8.121 -2.084 1.00 0.00 C ATOM 1049 CG HIS A 76 8.063 7.589 -0.688 1.00 0.00 C ATOM 1050 ND1 HIS A 76 7.767 8.340 0.429 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.436 6.370 -0.232 1.00 0.00 C ATOM 1052 CE1 HIS A 76 7.956 7.608 1.512 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.362 6.408 1.138 1.00 0.00 N ATOM 0 H HIS A 76 7.508 8.357 -4.495 1.00 0.00 H new ATOM 0 HA HIS A 76 6.125 7.052 -2.440 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.637 7.568 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.278 9.162 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.736 5.525 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.804 7.935 2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.584 5.635 1.765 1.00 0.00 H new ATOM 1062 N ALA A 77 5.725 10.316 -2.542 1.00 0.00 N ATOM 1063 CA ALA A 77 4.925 11.417 -2.022 1.00 0.00 C ATOM 1064 C ALA A 77 3.447 11.222 -2.342 1.00 0.00 C ATOM 1065 O ALA A 77 2.582 11.477 -1.505 1.00 0.00 O ATOM 1066 CB ALA A 77 5.419 12.741 -2.586 1.00 0.00 C ATOM 0 H ALA A 77 6.332 10.567 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 77 5.036 11.433 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.812 13.555 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.460 12.892 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.339 12.726 -3.673 1.00 0.00 H new ATOM 1072 N GLN A 78 3.166 10.768 -3.559 1.00 0.00 N ATOM 1073 CA GLN A 78 1.792 10.540 -3.990 1.00 0.00 C ATOM 1074 C GLN A 78 1.153 9.404 -3.197 1.00 0.00 C ATOM 1075 O GLN A 78 0.123 9.589 -2.550 1.00 0.00 O ATOM 1076 CB GLN A 78 1.750 10.219 -5.485 1.00 0.00 C ATOM 1077 CG GLN A 78 1.925 11.439 -6.375 1.00 0.00 C ATOM 1078 CD GLN A 78 0.764 12.408 -6.270 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.396 12.000 -6.199 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.070 13.700 -6.260 1.00 0.00 N ATOM 0 H GLN A 78 3.871 10.551 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 78 1.225 11.452 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.533 9.497 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.798 9.742 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.848 11.952 -6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.032 11.116 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.045 13.994 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.330 14.399 -6.191 1.00 0.00 H new ATOM 1089 N ALA A 79 1.773 8.230 -3.251 1.00 0.00 N ATOM 1090 CA ALA A 79 1.266 7.065 -2.536 1.00 0.00 C ATOM 1091 C ALA A 79 0.942 7.409 -1.086 1.00 0.00 C ATOM 1092 O ALA A 79 0.001 6.869 -0.505 1.00 0.00 O ATOM 1093 CB ALA A 79 2.276 5.928 -2.597 1.00 0.00 C ATOM 0 H ALA A 79 2.627 8.060 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 79 0.344 6.745 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.885 5.064 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.456 5.657 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.212 6.248 -2.138 1.00 0.00 H new ATOM 1099 N VAL A 80 1.727 8.312 -0.507 1.00 0.00 N ATOM 1100 CA VAL A 80 1.523 8.729 0.875 1.00 0.00 C ATOM 1101 C VAL A 80 0.372 9.723 0.985 1.00 0.00 C ATOM 1102 O VAL A 80 -0.424 9.664 1.921 1.00 0.00 O ATOM 1103 CB VAL A 80 2.796 9.366 1.463 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.548 9.837 2.888 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.955 8.383 1.412 1.00 0.00 C ATOM 0 H VAL A 80 2.510 8.769 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 80 1.279 7.832 1.444 1.00 0.00 H new ATOM 0 HB VAL A 80 3.059 10.235 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.458 10.284 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.748 10.577 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.260 8.987 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.846 8.849 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.704 7.494 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.147 8.100 0.377 1.00 0.00 H new ATOM 1115 N GLU A 81 0.292 10.636 0.022 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.761 11.644 0.011 1.00 0.00 C ATOM 1117 C GLU A 81 -2.133 10.996 -0.158 1.00 0.00 C ATOM 1118 O GLU A 81 -3.160 11.609 0.131 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.520 12.653 -1.113 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.665 13.633 -1.307 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.247 14.876 -2.068 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.048 15.223 -2.024 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -2.118 15.503 -2.707 1.00 0.00 O ATOM 0 H GLU A 81 0.944 10.698 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.740 12.165 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.392 13.210 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.353 12.113 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.475 13.138 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.059 13.923 -0.333 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.139 9.753 -0.628 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.383 9.022 -0.838 1.00 0.00 C ATOM 1132 C ARG A 82 -3.871 8.394 0.465 1.00 0.00 C ATOM 1133 O ARG A 82 -5.074 8.288 0.702 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.189 7.936 -1.898 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.837 8.483 -3.272 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.993 9.266 -3.874 1.00 0.00 C ATOM 1137 NE ARG A 82 -3.868 9.400 -5.323 1.00 0.00 N ATOM 1138 CZ ARG A 82 -4.859 9.797 -6.112 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.043 10.098 -5.596 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -4.668 9.895 -7.422 1.00 0.00 N ATOM 0 H ARG A 82 -1.297 9.231 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.136 9.729 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.399 7.259 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.103 7.347 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.961 9.127 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.570 7.660 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.932 8.766 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.035 10.256 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.970 9.176 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.194 10.025 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.802 10.403 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.759 9.665 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.430 10.200 -8.027 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.928 7.979 1.305 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.262 7.362 2.583 1.00 0.00 C ATOM 1156 C ILE A 83 -3.784 8.398 3.573 1.00 0.00 C ATOM 1157 O ILE A 83 -4.789 8.175 4.248 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.044 6.648 3.198 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.376 5.745 2.159 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.464 5.841 4.417 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.005 5.260 2.573 1.00 0.00 C ATOM 0 H ILE A 83 -1.927 8.059 1.124 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.042 6.627 2.385 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.322 7.400 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.017 4.883 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.291 6.288 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.593 5.342 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.899 6.507 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.202 5.095 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.408 4.625 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.651 6.116 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.085 4.689 3.498 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.095 9.531 3.653 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.489 10.602 4.561 1.00 0.00 C ATOM 1175 C ARG A 84 -4.864 11.151 4.189 1.00 0.00 C ATOM 1176 O ARG A 84 -5.680 11.448 5.061 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.455 11.729 4.534 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.735 12.789 3.481 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.774 13.961 3.601 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.204 14.920 4.615 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.560 16.052 4.876 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -0.463 16.365 4.201 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.014 16.875 5.813 1.00 0.00 N ATOM 0 H ARG A 84 -2.261 9.732 3.100 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.541 10.189 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.422 12.203 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.469 11.301 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.650 12.348 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.760 13.145 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.780 13.590 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.694 14.464 2.637 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.045 14.709 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.111 15.736 3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.030 17.235 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.859 16.639 6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.518 17.744 6.012 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.112 11.283 2.890 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.387 11.794 2.404 1.00 0.00 C ATOM 1199 C ALA A 85 -7.455 10.705 2.415 1.00 0.00 C ATOM 1200 O ALA A 85 -8.637 10.979 2.210 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.227 12.364 1.002 1.00 0.00 C ATOM 0 H ALA A 85 -4.446 11.043 2.155 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.710 12.591 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.187 12.742 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.502 13.177 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.878 11.581 0.329 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.030 9.468 2.656 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.963 8.357 2.689 1.00 0.00 C ATOM 1209 C GLY A 86 -9.000 8.503 3.785 1.00 0.00 C ATOM 1210 O GLY A 86 -10.046 7.856 3.749 1.00 0.00 O ATOM 0 H GLY A 86 -6.057 9.216 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.466 8.280 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.412 7.428 2.836 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.709 9.353 4.764 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.633 9.565 5.863 1.00 0.00 C ATOM 1216 C GLY A 87 -9.226 8.813 7.115 1.00 0.00 C ATOM 1217 O GLY A 87 -8.066 8.440 7.292 1.00 0.00 O ATOM 0 H GLY A 87 -7.849 9.899 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.690 10.631 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.631 9.248 5.561 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.197 8.580 8.011 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.958 7.867 9.270 1.00 0.00 C ATOM 1223 C PRO A 88 -9.670 6.386 9.051 1.00 0.00 C ATOM 1224 O PRO A 88 -9.117 5.717 9.923 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.270 8.050 10.036 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.299 8.264 8.979 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.602 8.996 7.865 1.00 0.00 C ATOM 0 HA PRO A 88 -9.085 8.251 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.501 7.173 10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.217 8.901 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.703 7.314 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.138 8.845 9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.004 8.720 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.714 10.076 7.962 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.050 5.881 7.881 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.832 4.478 7.549 1.00 0.00 C ATOM 1237 C GLN A 89 -8.705 4.327 6.532 1.00 0.00 C ATOM 1238 O GLN A 89 -8.720 4.960 5.476 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.118 3.857 6.999 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.096 3.426 8.080 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.012 4.550 8.520 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -14.055 4.791 7.910 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.629 5.245 9.584 1.00 0.00 N ATOM 0 H GLN A 89 -10.510 6.422 7.148 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.545 3.955 8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.608 4.577 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.861 2.992 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.698 2.596 7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.540 3.057 8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.757 5.011 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.206 6.013 9.927 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.730 3.487 6.858 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.594 3.253 5.973 1.00 0.00 C ATOM 1254 C LEU A 90 -6.782 1.968 5.174 1.00 0.00 C ATOM 1255 O LEU A 90 -7.114 0.921 5.731 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.298 3.179 6.783 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.121 2.478 6.103 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.801 3.049 6.599 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.180 0.977 6.348 1.00 0.00 C ATOM 0 H LEU A 90 -7.703 2.956 7.729 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.531 4.087 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.993 4.194 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.508 2.665 7.721 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.189 2.654 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.975 2.538 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.757 4.114 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.724 2.904 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.335 0.495 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.137 0.781 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.110 0.579 5.943 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.565 2.054 3.865 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.707 0.896 2.989 1.00 0.00 C ATOM 1273 C HIS A 91 -5.515 0.780 2.044 1.00 0.00 C ATOM 1274 O HIS A 91 -5.281 1.658 1.212 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.004 0.996 2.184 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.467 -0.316 1.630 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.438 -0.618 0.285 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -8.973 -1.409 2.248 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.906 -1.839 0.100 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.237 -2.341 1.275 1.00 0.00 N ATOM 0 H HIS A 91 -6.290 2.913 3.388 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.742 0.002 3.612 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.786 1.409 2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.859 1.697 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.138 -1.526 3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.002 -2.341 -0.851 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.626 -3.270 1.434 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.765 -0.307 2.177 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.596 -0.538 1.335 1.00 0.00 C ATOM 1291 C LEU A 92 -3.593 -1.961 0.785 1.00 0.00 C ATOM 1292 O LEU A 92 -3.937 -2.911 1.488 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.313 -0.284 2.129 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.285 0.994 2.967 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.127 0.960 3.953 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.187 2.219 2.069 1.00 0.00 C ATOM 0 H LEU A 92 -4.945 -1.043 2.860 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.641 0.156 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.145 -1.133 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.477 -0.255 1.430 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.215 1.056 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.123 1.878 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.240 0.104 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.187 0.874 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.168 3.120 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.273 2.164 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.049 2.252 1.403 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.201 -2.101 -0.478 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.150 -3.408 -1.122 1.00 0.00 C ATOM 1310 C VAL A 93 -1.740 -3.986 -1.082 1.00 0.00 C ATOM 1311 O VAL A 93 -0.836 -3.489 -1.755 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.620 -3.330 -2.587 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.946 -4.718 -3.117 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.823 -2.407 -2.712 1.00 0.00 C ATOM 0 H VAL A 93 -2.914 -1.325 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.823 -4.061 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.810 -2.918 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.276 -4.644 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.057 -5.346 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.739 -5.161 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.142 -2.364 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.639 -2.788 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.551 -1.407 -2.374 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.560 -5.038 -0.291 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.260 -5.684 -0.165 1.00 0.00 C ATOM 1326 C ILE A 94 -0.319 -7.133 -0.635 1.00 0.00 C ATOM 1327 O ILE A 94 -1.310 -7.829 -0.413 1.00 0.00 O ATOM 1328 CB ILE A 94 0.248 -5.648 1.289 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.230 -4.215 1.823 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.650 -6.234 1.374 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.205 -3.296 1.122 1.00 0.00 C ATOM 0 H ILE A 94 -2.298 -5.461 0.272 1.00 0.00 H new ATOM 0 HA ILE A 94 0.432 -5.127 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.416 -6.253 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.777 -3.810 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.460 -4.230 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.996 -6.202 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.634 -7.268 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.326 -5.653 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.137 -2.297 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.218 -3.677 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.963 -3.251 0.060 1.00 0.00 H new ATOM 1343 N ARG A 95 0.750 -7.583 -1.285 1.00 0.00 N ATOM 1344 CA ARG A 95 0.821 -8.950 -1.787 1.00 0.00 C ATOM 1345 C ARG A 95 2.174 -9.578 -1.466 1.00 0.00 C ATOM 1346 O ARG A 95 3.177 -9.281 -2.115 1.00 0.00 O ATOM 1347 CB ARG A 95 0.580 -8.974 -3.297 1.00 0.00 C ATOM 1348 CG ARG A 95 1.059 -10.251 -3.969 1.00 0.00 C ATOM 1349 CD ARG A 95 0.993 -10.141 -5.485 1.00 0.00 C ATOM 1350 NE ARG A 95 1.230 -11.426 -6.137 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.173 -11.604 -7.452 1.00 0.00 C ATOM 1352 NH1 ARG A 95 0.888 -10.585 -8.251 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.402 -12.804 -7.971 1.00 0.00 N ATOM 0 H ARG A 95 1.579 -7.020 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 95 0.044 -9.533 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.486 -8.850 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.086 -8.122 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.083 -10.463 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.447 -11.090 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.015 -9.760 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.733 -9.418 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 95 1.451 -12.231 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.712 -9.661 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.845 -10.725 -9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.622 -13.590 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.358 -12.940 -8.981 1.00 0.00 H new ATOM 1367 N ARG A 96 2.193 -10.447 -0.460 1.00 0.00 N ATOM 1368 CA ARG A 96 3.423 -11.115 -0.052 1.00 0.00 C ATOM 1369 C ARG A 96 3.980 -11.970 -1.186 1.00 0.00 C ATOM 1370 O ARG A 96 3.268 -12.758 -1.809 1.00 0.00 O ATOM 1371 CB ARG A 96 3.171 -11.985 1.181 1.00 0.00 C ATOM 1372 CG ARG A 96 4.435 -12.335 1.949 1.00 0.00 C ATOM 1373 CD ARG A 96 4.215 -13.523 2.872 1.00 0.00 C ATOM 1374 NE ARG A 96 5.260 -13.628 3.887 1.00 0.00 N ATOM 1375 CZ ARG A 96 5.300 -14.588 4.804 1.00 0.00 C ATOM 1376 NH1 ARG A 96 4.358 -15.521 4.834 1.00 0.00 N ATOM 1377 NH2 ARG A 96 6.284 -14.617 5.694 1.00 0.00 N ATOM 0 H ARG A 96 1.371 -10.705 0.087 1.00 0.00 H new ATOM 0 HA ARG A 96 4.158 -10.349 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.483 -11.465 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.678 -12.906 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.237 -12.562 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.757 -11.473 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.245 -13.429 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.188 -14.440 2.283 1.00 0.00 H new ATOM 0 HE ARG A 96 6.000 -12.926 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.600 -15.503 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.391 -16.257 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.011 -13.902 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.314 -15.355 6.398 1.00 0.00 H new ATOM 1391 N PRO A 97 5.283 -11.812 -1.462 1.00 0.00 N ATOM 1392 CA PRO A 97 5.964 -12.561 -2.523 1.00 0.00 C ATOM 1393 C PRO A 97 6.115 -14.039 -2.183 1.00 0.00 C ATOM 1394 O PRO A 97 5.524 -14.529 -1.219 1.00 0.00 O ATOM 1395 CB PRO A 97 7.336 -11.888 -2.606 1.00 0.00 C ATOM 1396 CG PRO A 97 7.552 -11.298 -1.256 1.00 0.00 C ATOM 1397 CD PRO A 97 6.192 -10.890 -0.760 1.00 0.00 C ATOM 0 HA PRO A 97 5.407 -12.541 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.116 -12.609 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.354 -11.121 -3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.012 -12.022 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.222 -10.440 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.111 -10.992 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.972 -9.849 -0.999 1.00 0.00 H new ATOM 1405 N LEU A 98 6.909 -14.746 -2.980 1.00 0.00 N ATOM 1406 CA LEU A 98 7.138 -16.171 -2.763 1.00 0.00 C ATOM 1407 C LEU A 98 8.611 -16.448 -2.480 1.00 0.00 C ATOM 1408 O LEU A 98 9.405 -16.638 -3.401 1.00 0.00 O ATOM 1409 CB LEU A 98 6.681 -16.972 -3.983 1.00 0.00 C ATOM 1410 CG LEU A 98 6.802 -16.266 -5.334 1.00 0.00 C ATOM 1411 CD1 LEU A 98 7.024 -17.278 -6.447 1.00 0.00 C ATOM 1412 CD2 LEU A 98 5.561 -15.429 -5.610 1.00 0.00 C ATOM 0 H LEU A 98 7.405 -14.356 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 98 6.556 -16.480 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.260 -17.894 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.639 -17.256 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 98 7.665 -15.601 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.108 -16.757 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.942 -17.834 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.182 -17.969 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.664 -14.933 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.683 -16.074 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.447 -14.679 -4.827 1.00 0.00 H new ATOM 1424 N SER A 99 8.968 -16.472 -1.200 1.00 0.00 N ATOM 1425 CA SER A 99 10.346 -16.725 -0.795 1.00 0.00 C ATOM 1426 C SER A 99 10.532 -18.183 -0.383 1.00 0.00 C ATOM 1427 O SER A 99 9.569 -18.877 -0.062 1.00 0.00 O ATOM 1428 CB SER A 99 10.738 -15.803 0.360 1.00 0.00 C ATOM 1429 OG SER A 99 12.145 -15.767 0.529 1.00 0.00 O ATOM 0 H SER A 99 8.322 -16.319 -0.425 1.00 0.00 H new ATOM 0 HA SER A 99 10.993 -16.521 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.366 -14.797 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.267 -16.147 1.280 1.00 0.00 H new ATOM 0 HG SER A 99 12.370 -15.169 1.272 1.00 0.00 H new ATOM 1435 N GLY A 100 11.781 -18.640 -0.396 1.00 0.00 N ATOM 1436 CA GLY A 100 12.073 -20.011 -0.022 1.00 0.00 C ATOM 1437 C GLY A 100 13.473 -20.435 -0.417 1.00 0.00 C ATOM 1438 O GLY A 100 14.434 -20.257 0.332 1.00 0.00 O ATOM 0 H GLY A 100 12.595 -18.085 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 100 11.953 -20.124 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.349 -20.675 -0.494 1.00 0.00 H new ATOM 1442 N PRO A 101 13.603 -21.012 -1.621 1.00 0.00 N ATOM 1443 CA PRO A 101 14.893 -21.475 -2.142 1.00 0.00 C ATOM 1444 C PRO A 101 15.828 -20.321 -2.485 1.00 0.00 C ATOM 1445 O PRO A 101 15.833 -19.828 -3.613 1.00 0.00 O ATOM 1446 CB PRO A 101 14.509 -22.247 -3.407 1.00 0.00 C ATOM 1447 CG PRO A 101 13.210 -21.653 -3.832 1.00 0.00 C ATOM 1448 CD PRO A 101 12.501 -21.256 -2.567 1.00 0.00 C ATOM 0 HA PRO A 101 15.437 -22.073 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 101 15.267 -22.138 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.410 -23.314 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.369 -20.789 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.620 -22.372 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.890 -20.365 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.836 -22.044 -2.215 1.00 0.00 H new ATOM 1456 N SER A 102 16.618 -19.894 -1.506 1.00 0.00 N ATOM 1457 CA SER A 102 17.556 -18.794 -1.704 1.00 0.00 C ATOM 1458 C SER A 102 18.308 -18.953 -3.022 1.00 0.00 C ATOM 1459 O SER A 102 18.391 -18.019 -3.818 1.00 0.00 O ATOM 1460 CB SER A 102 18.548 -18.726 -0.542 1.00 0.00 C ATOM 1461 OG SER A 102 19.488 -17.684 -0.734 1.00 0.00 O ATOM 0 H SER A 102 16.628 -20.293 -0.567 1.00 0.00 H new ATOM 0 HA SER A 102 16.987 -17.865 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 102 18.009 -18.566 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.070 -19.678 -0.449 1.00 0.00 H new ATOM 0 HG SER A 102 20.110 -17.661 0.023 1.00 0.00 H new ATOM 1467 N SER A 103 18.855 -20.144 -3.243 1.00 0.00 N ATOM 1468 CA SER A 103 19.605 -20.426 -4.462 1.00 0.00 C ATOM 1469 C SER A 103 19.264 -21.811 -5.002 1.00 0.00 C ATOM 1470 O SER A 103 19.251 -22.793 -4.260 1.00 0.00 O ATOM 1471 CB SER A 103 21.108 -20.325 -4.197 1.00 0.00 C ATOM 1472 OG SER A 103 21.579 -19.008 -4.423 1.00 0.00 O ATOM 0 H SER A 103 18.793 -20.929 -2.595 1.00 0.00 H new ATOM 0 HA SER A 103 19.325 -19.685 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.320 -20.619 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.642 -21.021 -4.844 1.00 0.00 H new ATOM 0 HG SER A 103 22.542 -18.970 -4.245 1.00 0.00 H new ATOM 1478 N GLY A 104 18.988 -21.883 -6.300 1.00 0.00 N ATOM 1479 CA GLY A 104 18.650 -23.152 -6.918 1.00 0.00 C ATOM 1480 C GLY A 104 17.176 -23.259 -7.254 1.00 0.00 C ATOM 1481 O GLY A 104 16.766 -24.147 -8.001 1.00 0.00 O ATOM 0 H GLY A 104 18.992 -21.085 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.237 -23.277 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 104 18.926 -23.965 -6.246 1.00 0.00 H new TER 1485 GLY A 104