USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 790 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 0 SER OG : rot 180:sc= 0.0676 USER MOD Set 1.2: A 3 GLN : amide:sc= -3.42 X(o=-3.3,f=-3.6) USER MOD Single : A 0 SER N :NH3+ 147:sc= 0.09 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.491 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 76:sc= -0.232 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.04 K(o=-2,f=-2.9!) USER MOD Single : A 16 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.1!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.013 F(o=-0.97,f=-0.013) USER MOD Single : A 22 SER OG : rot 65:sc= 1.1 USER MOD Single : A 31 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 38 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 47 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-8.8!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.134 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -3.33! (180deg=-4.19!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.404 K(o=0.4,f=-2.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -7.51! C(o=-7.5!,f=-8.6!) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.422 F(o=-2.9!,f=0.42) USER MOD Single : A 79 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.28) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.0368 (180deg=-0.292) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7!) USER MOD Single : A 90 GLN : amide:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 0 2.183 -1.909 -2.382 1.00 0.00 N ATOM 9 CA SER A 0 1.750 -2.799 -3.453 1.00 0.00 C ATOM 10 C SER A 0 2.794 -3.879 -3.719 1.00 0.00 C ATOM 11 O SER A 0 3.382 -3.937 -4.798 1.00 0.00 O ATOM 12 CB SER A 0 1.487 -2.002 -4.732 1.00 0.00 C ATOM 13 OG SER A 0 0.725 -0.839 -4.461 1.00 0.00 O ATOM 0 H1 SER A 0 1.827 -0.949 -2.563 1.00 0.00 H new ATOM 0 H2 SER A 0 1.809 -2.251 -1.474 1.00 0.00 H new ATOM 0 H3 SER A 0 3.222 -1.891 -2.344 1.00 0.00 H new ATOM 0 HA SER A 0 0.825 -3.283 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.435 -1.721 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 0 0.958 -2.627 -5.452 1.00 0.00 H new ATOM 0 HG SER A 0 0.572 -0.347 -5.294 1.00 0.00 H new ATOM 19 N ALA A 1 3.019 -4.733 -2.725 1.00 0.00 N ATOM 20 CA ALA A 1 3.991 -5.812 -2.851 1.00 0.00 C ATOM 21 C ALA A 1 3.322 -7.102 -3.314 1.00 0.00 C ATOM 22 O ALA A 1 3.605 -7.602 -4.403 1.00 0.00 O ATOM 23 CB ALA A 1 4.708 -6.033 -1.527 1.00 0.00 C ATOM 0 H ALA A 1 2.541 -4.698 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 1 4.723 -5.522 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.431 -6.842 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.226 -5.119 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.981 -6.297 -0.759 1.00 0.00 H new ATOM 29 N ARG A 2 2.434 -7.635 -2.481 1.00 0.00 N ATOM 30 CA ARG A 2 1.726 -8.867 -2.805 1.00 0.00 C ATOM 31 C ARG A 2 0.841 -8.679 -4.034 1.00 0.00 C ATOM 32 O ARG A 2 0.836 -9.512 -4.940 1.00 0.00 O ATOM 33 CB ARG A 2 0.877 -9.321 -1.617 1.00 0.00 C ATOM 34 CG ARG A 2 1.360 -10.614 -0.981 1.00 0.00 C ATOM 35 CD ARG A 2 1.341 -11.764 -1.976 1.00 0.00 C ATOM 36 NE ARG A 2 1.181 -13.057 -1.316 1.00 0.00 N ATOM 37 CZ ARG A 2 1.198 -14.218 -1.960 1.00 0.00 C ATOM 38 NH1 ARG A 2 1.368 -14.249 -3.275 1.00 0.00 N ATOM 39 NH2 ARG A 2 1.045 -15.353 -1.289 1.00 0.00 N ATOM 0 H ARG A 2 2.188 -7.233 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 2 2.468 -9.634 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.873 -8.534 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.154 -9.451 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.372 -10.478 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.728 -10.859 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.527 -11.616 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.268 -11.762 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 2 1.049 -13.069 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.486 -13.379 -3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.381 -15.143 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.914 -15.334 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.058 -16.244 -1.785 1.00 0.00 H new ATOM 53 N GLN A 3 0.094 -7.580 -4.056 1.00 0.00 N ATOM 54 CA GLN A 3 -0.796 -7.283 -5.173 1.00 0.00 C ATOM 55 C GLN A 3 -0.029 -7.267 -6.490 1.00 0.00 C ATOM 56 O GLN A 3 -0.556 -7.658 -7.533 1.00 0.00 O ATOM 57 CB GLN A 3 -1.490 -5.937 -4.956 1.00 0.00 C ATOM 58 CG GLN A 3 -0.524 -4.774 -4.797 1.00 0.00 C ATOM 59 CD GLN A 3 -1.233 -3.458 -4.544 1.00 0.00 C ATOM 60 OE1 GLN A 3 -1.501 -3.094 -3.399 1.00 0.00 O ATOM 61 NE2 GLN A 3 -1.541 -2.736 -5.615 1.00 0.00 N ATOM 0 H GLN A 3 0.087 -6.881 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.550 -8.068 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.150 -5.738 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.119 -6.001 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.155 -4.981 -3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.086 -4.687 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.300 -3.076 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.019 -1.841 -5.507 1.00 0.00 H new ATOM 70 N LEU A 4 1.218 -6.812 -6.438 1.00 0.00 N ATOM 71 CA LEU A 4 2.059 -6.744 -7.628 1.00 0.00 C ATOM 72 C LEU A 4 2.889 -8.015 -7.781 1.00 0.00 C ATOM 73 O LEU A 4 3.472 -8.264 -8.837 1.00 0.00 O ATOM 74 CB LEU A 4 2.981 -5.525 -7.557 1.00 0.00 C ATOM 75 CG LEU A 4 2.288 -4.165 -7.462 1.00 0.00 C ATOM 76 CD1 LEU A 4 3.296 -3.040 -7.641 1.00 0.00 C ATOM 77 CD2 LEU A 4 1.178 -4.059 -8.498 1.00 0.00 C ATOM 0 H LEU A 4 1.669 -6.484 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 4 1.408 -6.649 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.635 -5.639 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.619 -5.525 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 4 1.843 -4.073 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.786 -2.079 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.056 -3.105 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.770 -3.128 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.696 -3.085 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.600 -4.172 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.442 -4.844 -8.324 1.00 0.00 H new ATOM 89 N SER A 5 2.936 -8.817 -6.722 1.00 0.00 N ATOM 90 CA SER A 5 3.695 -10.062 -6.739 1.00 0.00 C ATOM 91 C SER A 5 3.027 -11.093 -7.643 1.00 0.00 C ATOM 92 O SER A 5 3.595 -12.149 -7.925 1.00 0.00 O ATOM 93 CB SER A 5 3.830 -10.620 -5.321 1.00 0.00 C ATOM 94 OG SER A 5 5.162 -11.026 -5.057 1.00 0.00 O ATOM 0 H SER A 5 2.457 -8.627 -5.842 1.00 0.00 H new ATOM 0 HA SER A 5 4.688 -9.849 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.528 -9.862 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.156 -11.468 -5.195 1.00 0.00 H new ATOM 0 HG SER A 5 5.222 -11.377 -4.144 1.00 0.00 H new ATOM 100 N LYS A 6 1.818 -10.780 -8.094 1.00 0.00 N ATOM 101 CA LYS A 6 1.070 -11.678 -8.968 1.00 0.00 C ATOM 102 C LYS A 6 1.946 -12.176 -10.113 1.00 0.00 C ATOM 103 O LYS A 6 1.846 -13.332 -10.527 1.00 0.00 O ATOM 104 CB LYS A 6 -0.164 -10.967 -9.527 1.00 0.00 C ATOM 105 CG LYS A 6 -1.222 -11.917 -10.063 1.00 0.00 C ATOM 106 CD LYS A 6 -2.076 -11.255 -11.131 1.00 0.00 C ATOM 107 CE LYS A 6 -3.137 -10.355 -10.518 1.00 0.00 C ATOM 108 NZ LYS A 6 -4.415 -11.084 -10.284 1.00 0.00 N ATOM 0 H LYS A 6 1.334 -9.911 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 6 0.750 -12.537 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.604 -10.351 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.146 -10.293 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.741 -12.802 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.858 -12.254 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.440 -10.669 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.555 -12.021 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.770 -9.952 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.318 -9.506 -11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.113 -10.436 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.778 -11.447 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.247 -11.879 -9.635 1.00 0.00 H new ATOM 122 N LEU A 7 2.804 -11.298 -10.620 1.00 0.00 N ATOM 123 CA LEU A 7 3.699 -11.650 -11.718 1.00 0.00 C ATOM 124 C LEU A 7 5.002 -12.241 -11.189 1.00 0.00 C ATOM 125 O LEU A 7 5.677 -13.003 -11.882 1.00 0.00 O ATOM 126 CB LEU A 7 3.995 -10.418 -12.575 1.00 0.00 C ATOM 127 CG LEU A 7 5.145 -10.556 -13.574 1.00 0.00 C ATOM 128 CD1 LEU A 7 4.851 -9.764 -14.838 1.00 0.00 C ATOM 129 CD2 LEU A 7 6.453 -10.098 -12.947 1.00 0.00 C ATOM 0 H LEU A 7 2.899 -10.338 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 7 3.203 -12.402 -12.332 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.091 -10.157 -13.126 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.216 -9.582 -11.911 1.00 0.00 H new ATOM 0 HG LEU A 7 5.243 -11.608 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.680 -9.874 -15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.936 -10.139 -15.298 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.726 -8.711 -14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.260 -10.203 -13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.367 -9.053 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.670 -10.709 -12.071 1.00 0.00 H new ATOM 141 N LYS A 8 5.350 -11.886 -9.957 1.00 0.00 N ATOM 142 CA LYS A 8 6.571 -12.383 -9.333 1.00 0.00 C ATOM 143 C LYS A 8 6.692 -13.894 -9.502 1.00 0.00 C ATOM 144 O LYS A 8 7.668 -14.388 -10.067 1.00 0.00 O ATOM 145 CB LYS A 8 6.590 -12.022 -7.846 1.00 0.00 C ATOM 146 CG LYS A 8 7.905 -12.347 -7.159 1.00 0.00 C ATOM 147 CD LYS A 8 7.681 -12.993 -5.802 1.00 0.00 C ATOM 148 CE LYS A 8 7.868 -14.501 -5.864 1.00 0.00 C ATOM 149 NZ LYS A 8 7.636 -15.144 -4.541 1.00 0.00 N ATOM 0 H LYS A 8 4.803 -11.256 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 8 7.421 -11.911 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.386 -10.957 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.784 -12.555 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.490 -13.017 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.488 -11.434 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.376 -12.569 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.675 -12.764 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.181 -14.922 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.878 -14.728 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.773 -16.171 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.308 -14.761 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.664 -14.949 -4.226 1.00 0.00 H new ATOM 163 N ARG A 9 5.694 -14.622 -9.011 1.00 0.00 N ATOM 164 CA ARG A 9 5.690 -16.076 -9.109 1.00 0.00 C ATOM 165 C ARG A 9 5.930 -16.525 -10.547 1.00 0.00 C ATOM 166 O ARG A 9 6.873 -17.265 -10.829 1.00 0.00 O ATOM 167 CB ARG A 9 4.360 -16.639 -8.602 1.00 0.00 C ATOM 168 CG ARG A 9 3.953 -16.104 -7.239 1.00 0.00 C ATOM 169 CD ARG A 9 2.664 -16.747 -6.751 1.00 0.00 C ATOM 170 NE ARG A 9 2.834 -18.170 -6.471 1.00 0.00 N ATOM 171 CZ ARG A 9 2.611 -19.127 -7.365 1.00 0.00 C ATOM 172 NH1 ARG A 9 2.212 -18.814 -8.590 1.00 0.00 N ATOM 173 NH2 ARG A 9 2.788 -20.399 -7.035 1.00 0.00 N ATOM 0 H ARG A 9 4.878 -14.228 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 9 6.499 -16.459 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.577 -16.405 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.431 -17.725 -8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.750 -16.293 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.823 -15.023 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.324 -16.238 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.886 -16.616 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 9 3.141 -18.444 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.076 -17.837 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.041 -19.551 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.096 -20.644 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.616 -21.133 -7.722 1.00 0.00 H new ATOM 187 N PHE A 10 5.069 -16.074 -11.454 1.00 0.00 N ATOM 188 CA PHE A 10 5.186 -16.430 -12.863 1.00 0.00 C ATOM 189 C PHE A 10 6.605 -16.189 -13.369 1.00 0.00 C ATOM 190 O PHE A 10 7.199 -17.050 -14.020 1.00 0.00 O ATOM 191 CB PHE A 10 4.190 -15.624 -13.699 1.00 0.00 C ATOM 192 CG PHE A 10 4.333 -15.843 -15.178 1.00 0.00 C ATOM 193 CD1 PHE A 10 5.255 -15.115 -15.913 1.00 0.00 C ATOM 194 CD2 PHE A 10 3.547 -16.777 -15.832 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.388 -15.314 -17.275 1.00 0.00 C ATOM 196 CE2 PHE A 10 3.676 -16.981 -17.193 1.00 0.00 C ATOM 197 CZ PHE A 10 4.599 -16.249 -17.915 1.00 0.00 C ATOM 0 H PHE A 10 4.283 -15.461 -11.238 1.00 0.00 H new ATOM 0 HA PHE A 10 4.959 -17.491 -12.964 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.177 -15.889 -13.397 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.321 -14.564 -13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.876 -14.384 -15.417 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.825 -17.353 -15.272 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.108 -14.739 -17.838 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.056 -17.712 -17.691 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.703 -16.408 -18.978 1.00 0.00 H new ATOM 207 N LEU A 11 7.143 -15.013 -13.066 1.00 0.00 N ATOM 208 CA LEU A 11 8.492 -14.657 -13.490 1.00 0.00 C ATOM 209 C LEU A 11 9.515 -15.645 -12.938 1.00 0.00 C ATOM 210 O LEU A 11 10.339 -16.182 -13.679 1.00 0.00 O ATOM 211 CB LEU A 11 8.835 -13.239 -13.029 1.00 0.00 C ATOM 212 CG LEU A 11 9.606 -12.376 -14.029 1.00 0.00 C ATOM 213 CD1 LEU A 11 10.988 -12.959 -14.283 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.831 -12.249 -15.332 1.00 0.00 C ATOM 0 H LEU A 11 6.665 -14.290 -12.528 1.00 0.00 H new ATOM 0 HA LEU A 11 8.527 -14.697 -14.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.907 -12.726 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.420 -13.308 -12.112 1.00 0.00 H new ATOM 0 HG LEU A 11 9.727 -11.380 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.522 -12.332 -14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.544 -12.997 -13.347 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.889 -13.966 -14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.394 -11.632 -16.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.679 -13.239 -15.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.864 -11.785 -15.137 1.00 0.00 H new ATOM 226 N THR A 12 9.455 -15.882 -11.631 1.00 0.00 N ATOM 227 CA THR A 12 10.375 -16.806 -10.979 1.00 0.00 C ATOM 228 C THR A 12 10.426 -18.141 -11.714 1.00 0.00 C ATOM 229 O THR A 12 11.488 -18.575 -12.162 1.00 0.00 O ATOM 230 CB THR A 12 9.976 -17.055 -9.513 1.00 0.00 C ATOM 231 OG1 THR A 12 9.504 -15.840 -8.920 1.00 0.00 O ATOM 232 CG2 THR A 12 11.155 -17.590 -8.714 1.00 0.00 C ATOM 0 H THR A 12 8.779 -15.447 -11.003 1.00 0.00 H new ATOM 0 HA THR A 12 11.361 -16.342 -11.005 1.00 0.00 H new ATOM 0 HB THR A 12 9.180 -17.799 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.598 -15.650 -9.240 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.849 -17.758 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.493 -18.530 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.969 -16.866 -8.737 1.00 0.00 H new ATOM 240 N THR A 13 9.272 -18.789 -11.835 1.00 0.00 N ATOM 241 CA THR A 13 9.185 -20.075 -12.515 1.00 0.00 C ATOM 242 C THR A 13 9.525 -19.939 -13.995 1.00 0.00 C ATOM 243 O THR A 13 10.060 -20.864 -14.607 1.00 0.00 O ATOM 244 CB THR A 13 7.779 -20.689 -12.378 1.00 0.00 C ATOM 245 OG1 THR A 13 7.714 -21.928 -13.093 1.00 0.00 O ATOM 246 CG2 THR A 13 6.718 -19.736 -12.907 1.00 0.00 C ATOM 0 H THR A 13 8.384 -18.444 -11.471 1.00 0.00 H new ATOM 0 HA THR A 13 9.910 -20.734 -12.037 1.00 0.00 H new ATOM 0 HB THR A 13 7.587 -20.870 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.818 -22.313 -13.000 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.734 -20.192 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.751 -18.805 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.908 -19.528 -13.960 1.00 0.00 H new ATOM 254 N LEU A 14 9.213 -18.780 -14.564 1.00 0.00 N ATOM 255 CA LEU A 14 9.487 -18.522 -15.974 1.00 0.00 C ATOM 256 C LEU A 14 10.987 -18.557 -16.252 1.00 0.00 C ATOM 257 O LEU A 14 11.427 -19.113 -17.257 1.00 0.00 O ATOM 258 CB LEU A 14 8.912 -17.166 -16.386 1.00 0.00 C ATOM 259 CG LEU A 14 9.504 -16.542 -17.650 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.444 -15.751 -18.401 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.689 -15.653 -17.301 1.00 0.00 C ATOM 0 H LEU A 14 8.770 -18.004 -14.071 1.00 0.00 H new ATOM 0 HA LEU A 14 9.009 -19.306 -16.561 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.837 -17.278 -16.529 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.052 -16.468 -15.560 1.00 0.00 H new ATOM 0 HG LEU A 14 9.856 -17.344 -18.298 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.883 -15.314 -19.298 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.627 -16.415 -18.684 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.061 -14.957 -17.761 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.098 -15.217 -18.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.362 -14.856 -16.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.457 -16.248 -16.807 1.00 0.00 H new ATOM 273 N GLN A 15 11.764 -17.961 -15.354 1.00 0.00 N ATOM 274 CA GLN A 15 13.214 -17.926 -15.503 1.00 0.00 C ATOM 275 C GLN A 15 13.845 -19.220 -14.999 1.00 0.00 C ATOM 276 O GLN A 15 14.913 -19.620 -15.460 1.00 0.00 O ATOM 277 CB GLN A 15 13.797 -16.732 -14.745 1.00 0.00 C ATOM 278 CG GLN A 15 13.518 -16.765 -13.251 1.00 0.00 C ATOM 279 CD GLN A 15 14.504 -15.933 -12.455 1.00 0.00 C ATOM 280 OE1 GLN A 15 15.566 -16.415 -12.060 1.00 0.00 O ATOM 281 NE2 GLN A 15 14.157 -14.673 -12.214 1.00 0.00 N ATOM 0 H GLN A 15 11.414 -17.496 -14.516 1.00 0.00 H new ATOM 0 HA GLN A 15 13.442 -17.821 -16.564 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.875 -16.702 -14.904 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.388 -15.812 -15.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.508 -16.400 -13.066 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.553 -17.797 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.267 -14.314 -12.560 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.781 -14.065 -11.683 1.00 0.00 H new ATOM 290 N GLN A 16 13.176 -19.869 -14.051 1.00 0.00 N ATOM 291 CA GLN A 16 13.672 -21.117 -13.485 1.00 0.00 C ATOM 292 C GLN A 16 13.487 -22.271 -14.464 1.00 0.00 C ATOM 293 O GLN A 16 14.398 -23.072 -14.676 1.00 0.00 O ATOM 294 CB GLN A 16 12.953 -21.427 -12.171 1.00 0.00 C ATOM 295 CG GLN A 16 12.772 -22.914 -11.913 1.00 0.00 C ATOM 296 CD GLN A 16 14.087 -23.668 -11.899 1.00 0.00 C ATOM 297 OE1 GLN A 16 14.254 -24.662 -12.607 1.00 0.00 O ATOM 298 NE2 GLN A 16 15.030 -23.200 -11.090 1.00 0.00 N ATOM 0 H GLN A 16 12.290 -19.551 -13.659 1.00 0.00 H new ATOM 0 HA GLN A 16 14.738 -20.999 -13.289 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.516 -20.989 -11.346 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.975 -20.946 -12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.267 -23.054 -10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.124 -23.336 -12.681 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.849 -22.373 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.935 -23.667 -11.038 1.00 0.00 H new ATOM 307 N PHE A 17 12.301 -22.351 -15.060 1.00 0.00 N ATOM 308 CA PHE A 17 11.996 -23.408 -16.016 1.00 0.00 C ATOM 309 C PHE A 17 12.428 -23.009 -17.424 1.00 0.00 C ATOM 310 O PHE A 17 12.393 -23.820 -18.349 1.00 0.00 O ATOM 311 CB PHE A 17 10.499 -23.723 -16.000 1.00 0.00 C ATOM 312 CG PHE A 17 10.177 -25.077 -15.436 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.025 -25.255 -14.070 1.00 0.00 C ATOM 314 CD2 PHE A 17 10.025 -26.172 -16.271 1.00 0.00 C ATOM 315 CE1 PHE A 17 9.729 -26.500 -13.548 1.00 0.00 C ATOM 316 CE2 PHE A 17 9.729 -27.420 -15.755 1.00 0.00 C ATOM 317 CZ PHE A 17 9.580 -27.583 -14.392 1.00 0.00 C ATOM 0 H PHE A 17 11.536 -21.696 -14.897 1.00 0.00 H new ATOM 0 HA PHE A 17 12.551 -24.299 -15.723 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.982 -22.962 -15.415 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.112 -23.661 -17.017 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.139 -24.411 -13.406 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.139 -26.049 -17.338 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.614 -26.626 -12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.615 -28.266 -16.417 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.347 -28.556 -13.986 1.00 0.00 H new ATOM 327 N GLY A 18 12.835 -21.753 -17.579 1.00 0.00 N ATOM 328 CA GLY A 18 13.267 -21.267 -18.876 1.00 0.00 C ATOM 329 C GLY A 18 14.352 -22.131 -19.487 1.00 0.00 C ATOM 330 O GLY A 18 14.506 -22.176 -20.706 1.00 0.00 O ATOM 0 H GLY A 18 12.873 -21.063 -16.829 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.412 -21.232 -19.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.634 -20.246 -18.774 1.00 0.00 H new ATOM 334 N ASN A 19 15.108 -22.818 -18.636 1.00 0.00 N ATOM 335 CA ASN A 19 16.186 -23.684 -19.099 1.00 0.00 C ATOM 336 C ASN A 19 15.636 -25.009 -19.617 1.00 0.00 C ATOM 337 O ASN A 19 16.305 -25.720 -20.367 1.00 0.00 O ATOM 338 CB ASN A 19 17.184 -23.940 -17.968 1.00 0.00 C ATOM 339 CG ASN A 19 18.623 -23.887 -18.443 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.978 -22.811 -19.135 1.00 0.00 O flip ATOM 341 ND2 ASN A 19 19.406 -24.803 -18.190 1.00 0.00 N flip ATOM 0 H ASN A 19 14.994 -22.792 -17.623 1.00 0.00 H new ATOM 0 HA ASN A 19 16.697 -23.179 -19.918 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.036 -23.199 -17.182 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.986 -24.917 -17.527 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.089 -25.611 -17.655 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.371 -24.753 -18.516 1.00 0.00 H new ATOM 348 N ASP A 20 14.414 -25.335 -19.211 1.00 0.00 N ATOM 349 CA ASP A 20 13.772 -26.574 -19.634 1.00 0.00 C ATOM 350 C ASP A 20 13.104 -26.403 -20.995 1.00 0.00 C ATOM 351 O ASP A 20 13.304 -27.211 -21.902 1.00 0.00 O ATOM 352 CB ASP A 20 12.740 -27.019 -18.597 1.00 0.00 C ATOM 353 CG ASP A 20 12.268 -28.442 -18.824 1.00 0.00 C ATOM 354 OD1 ASP A 20 12.123 -28.838 -19.999 1.00 0.00 O ATOM 355 OD2 ASP A 20 12.042 -29.159 -17.826 1.00 0.00 O ATOM 0 H ASP A 20 13.848 -24.758 -18.589 1.00 0.00 H new ATOM 0 HA ASP A 20 14.541 -27.341 -19.721 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.173 -26.937 -17.600 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.883 -26.346 -18.629 1.00 0.00 H new ATOM 360 N ILE A 21 12.308 -25.346 -21.128 1.00 0.00 N ATOM 361 CA ILE A 21 11.611 -25.070 -22.377 1.00 0.00 C ATOM 362 C ILE A 21 12.575 -25.072 -23.558 1.00 0.00 C ATOM 363 O ILE A 21 12.197 -25.403 -24.682 1.00 0.00 O ATOM 364 CB ILE A 21 10.882 -23.714 -22.327 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.010 -23.532 -23.571 1.00 0.00 C ATOM 366 CG2 ILE A 21 11.886 -22.577 -22.207 1.00 0.00 C ATOM 367 CD1 ILE A 21 10.688 -22.753 -24.676 1.00 0.00 C ATOM 0 H ILE A 21 12.131 -24.668 -20.387 1.00 0.00 H new ATOM 0 HA ILE A 21 10.877 -25.864 -22.510 1.00 0.00 H new ATOM 0 HB ILE A 21 10.237 -23.698 -21.449 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.725 -24.513 -23.951 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.090 -23.020 -23.288 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.356 -21.625 -22.173 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.468 -22.701 -21.294 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.554 -22.589 -23.068 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.011 -22.663 -25.526 1.00 0.00 H new ATOM 0 HD12 ILE A 21 10.949 -21.759 -24.313 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.593 -23.275 -24.987 1.00 0.00 H new ATOM 379 N SER A 22 13.825 -24.701 -23.295 1.00 0.00 N ATOM 380 CA SER A 22 14.844 -24.658 -24.337 1.00 0.00 C ATOM 381 C SER A 22 16.104 -23.958 -23.835 1.00 0.00 C ATOM 382 O SER A 22 16.071 -23.164 -22.895 1.00 0.00 O ATOM 383 CB SER A 22 14.307 -23.940 -25.577 1.00 0.00 C ATOM 384 OG SER A 22 13.891 -24.869 -26.563 1.00 0.00 O ATOM 0 H SER A 22 14.155 -24.426 -22.370 1.00 0.00 H new ATOM 0 HA SER A 22 15.100 -25.684 -24.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.469 -23.302 -25.297 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.079 -23.290 -25.988 1.00 0.00 H new ATOM 0 HG SER A 22 13.132 -25.388 -26.224 1.00 0.00 H new ATOM 390 N PRO A 23 17.242 -24.259 -24.478 1.00 0.00 N ATOM 391 CA PRO A 23 18.535 -23.669 -24.115 1.00 0.00 C ATOM 392 C PRO A 23 18.614 -22.187 -24.465 1.00 0.00 C ATOM 393 O PRO A 23 18.901 -21.353 -23.607 1.00 0.00 O ATOM 394 CB PRO A 23 19.536 -24.470 -24.951 1.00 0.00 C ATOM 395 CG PRO A 23 18.750 -24.961 -26.117 1.00 0.00 C ATOM 396 CD PRO A 23 17.356 -25.197 -25.607 1.00 0.00 C ATOM 0 HA PRO A 23 18.719 -23.718 -23.042 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.372 -23.848 -25.271 1.00 0.00 H new ATOM 0 HB3 PRO A 23 19.956 -25.298 -24.380 1.00 0.00 H new ATOM 0 HG2 PRO A 23 18.751 -24.229 -26.925 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.179 -25.879 -26.518 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.608 -24.995 -26.374 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.215 -26.229 -25.287 1.00 0.00 H new ATOM 404 N GLU A 24 18.358 -21.867 -25.730 1.00 0.00 N ATOM 405 CA GLU A 24 18.402 -20.485 -26.191 1.00 0.00 C ATOM 406 C GLU A 24 17.517 -19.594 -25.324 1.00 0.00 C ATOM 407 O GLU A 24 18.012 -18.766 -24.558 1.00 0.00 O ATOM 408 CB GLU A 24 17.957 -20.397 -27.652 1.00 0.00 C ATOM 409 CG GLU A 24 16.946 -21.461 -28.045 1.00 0.00 C ATOM 410 CD GLU A 24 17.577 -22.617 -28.796 1.00 0.00 C ATOM 411 OE1 GLU A 24 18.812 -22.778 -28.708 1.00 0.00 O ATOM 412 OE2 GLU A 24 16.836 -23.361 -29.472 1.00 0.00 O ATOM 0 H GLU A 24 18.118 -22.546 -26.453 1.00 0.00 H new ATOM 0 HA GLU A 24 19.431 -20.135 -26.110 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.525 -19.413 -27.833 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.832 -20.484 -28.296 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.456 -21.840 -27.148 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.172 -21.009 -28.665 1.00 0.00 H new ATOM 419 N ILE A 25 16.206 -19.769 -25.451 1.00 0.00 N ATOM 420 CA ILE A 25 15.252 -18.982 -24.680 1.00 0.00 C ATOM 421 C ILE A 25 15.609 -18.985 -23.197 1.00 0.00 C ATOM 422 O ILE A 25 15.405 -17.995 -22.496 1.00 0.00 O ATOM 423 CB ILE A 25 13.816 -19.510 -24.852 1.00 0.00 C ATOM 424 CG1 ILE A 25 12.835 -18.655 -24.048 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.733 -20.967 -24.423 1.00 0.00 C ATOM 426 CD1 ILE A 25 12.980 -17.171 -24.298 1.00 0.00 C ATOM 0 H ILE A 25 15.780 -20.449 -26.081 1.00 0.00 H new ATOM 0 HA ILE A 25 15.303 -17.962 -25.062 1.00 0.00 H new ATOM 0 HB ILE A 25 13.545 -19.446 -25.906 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.817 -18.958 -24.292 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.980 -18.852 -22.986 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.712 -21.326 -24.550 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.407 -21.566 -25.036 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.020 -21.055 -23.375 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.253 -16.628 -23.695 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.987 -16.853 -24.027 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.805 -16.961 -25.353 1.00 0.00 H new ATOM 438 N GLY A 26 16.144 -20.107 -22.725 1.00 0.00 N ATOM 439 CA GLY A 26 16.522 -20.219 -21.328 1.00 0.00 C ATOM 440 C GLY A 26 17.575 -19.205 -20.930 1.00 0.00 C ATOM 441 O GLY A 26 17.309 -18.302 -20.138 1.00 0.00 O ATOM 0 H GLY A 26 16.322 -20.941 -23.285 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.639 -20.085 -20.704 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.898 -21.224 -21.136 1.00 0.00 H new ATOM 445 N GLU A 27 18.776 -19.354 -21.481 1.00 0.00 N ATOM 446 CA GLU A 27 19.874 -18.444 -21.175 1.00 0.00 C ATOM 447 C GLU A 27 19.437 -16.991 -21.336 1.00 0.00 C ATOM 448 O GLU A 27 19.797 -16.131 -20.531 1.00 0.00 O ATOM 449 CB GLU A 27 21.072 -18.732 -22.084 1.00 0.00 C ATOM 450 CG GLU A 27 20.745 -18.651 -23.565 1.00 0.00 C ATOM 451 CD GLU A 27 21.962 -18.866 -24.444 1.00 0.00 C ATOM 452 OE1 GLU A 27 22.823 -17.964 -24.496 1.00 0.00 O ATOM 453 OE2 GLU A 27 22.052 -19.938 -25.079 1.00 0.00 O ATOM 0 H GLU A 27 19.013 -20.095 -22.141 1.00 0.00 H new ATOM 0 HA GLU A 27 20.167 -18.604 -20.137 1.00 0.00 H new ATOM 0 HB2 GLU A 27 21.868 -18.023 -21.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.457 -19.727 -21.859 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.990 -19.398 -23.808 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.311 -17.676 -23.785 1.00 0.00 H new ATOM 460 N ARG A 28 18.661 -16.725 -22.381 1.00 0.00 N ATOM 461 CA ARG A 28 18.176 -15.376 -22.648 1.00 0.00 C ATOM 462 C ARG A 28 17.217 -14.916 -21.554 1.00 0.00 C ATOM 463 O ARG A 28 17.462 -13.916 -20.880 1.00 0.00 O ATOM 464 CB ARG A 28 17.478 -15.323 -24.009 1.00 0.00 C ATOM 465 CG ARG A 28 17.747 -14.042 -24.782 1.00 0.00 C ATOM 466 CD ARG A 28 18.926 -14.201 -25.729 1.00 0.00 C ATOM 467 NE ARG A 28 19.819 -13.046 -25.690 1.00 0.00 N ATOM 468 CZ ARG A 28 20.657 -12.732 -26.672 1.00 0.00 C ATOM 469 NH1 ARG A 28 20.715 -13.481 -27.764 1.00 0.00 N ATOM 470 NH2 ARG A 28 21.438 -11.664 -26.563 1.00 0.00 N ATOM 0 H ARG A 28 18.355 -17.425 -23.057 1.00 0.00 H new ATOM 0 HA ARG A 28 19.034 -14.704 -22.660 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.803 -16.174 -24.608 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.403 -15.429 -23.861 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.858 -13.764 -25.349 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.947 -13.229 -24.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.484 -15.100 -25.466 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.558 -14.341 -26.746 1.00 0.00 H new ATOM 0 HE ARG A 28 19.798 -12.448 -24.864 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.115 -14.301 -27.852 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.359 -13.237 -28.516 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.395 -11.084 -25.725 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.081 -11.423 -27.317 1.00 0.00 H new ATOM 484 N VAL A 29 16.123 -15.653 -21.384 1.00 0.00 N ATOM 485 CA VAL A 29 15.128 -15.321 -20.372 1.00 0.00 C ATOM 486 C VAL A 29 15.790 -14.945 -19.052 1.00 0.00 C ATOM 487 O VAL A 29 15.590 -13.845 -18.537 1.00 0.00 O ATOM 488 CB VAL A 29 14.160 -16.495 -20.132 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.563 -16.417 -18.735 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.065 -16.508 -21.188 1.00 0.00 C ATOM 0 H VAL A 29 15.904 -16.483 -21.934 1.00 0.00 H new ATOM 0 HA VAL A 29 14.566 -14.466 -20.749 1.00 0.00 H new ATOM 0 HB VAL A 29 14.720 -17.427 -20.211 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.882 -17.254 -18.583 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.362 -16.461 -17.995 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.017 -15.480 -18.625 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.391 -17.344 -21.003 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.505 -15.574 -21.143 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.513 -16.616 -22.176 1.00 0.00 H new ATOM 500 N ARG A 30 16.581 -15.865 -18.510 1.00 0.00 N ATOM 501 CA ARG A 30 17.274 -15.629 -17.248 1.00 0.00 C ATOM 502 C ARG A 30 18.204 -14.424 -17.355 1.00 0.00 C ATOM 503 O ARG A 30 18.245 -13.576 -16.464 1.00 0.00 O ATOM 504 CB ARG A 30 18.072 -16.869 -16.841 1.00 0.00 C ATOM 505 CG ARG A 30 19.125 -17.277 -17.859 1.00 0.00 C ATOM 506 CD ARG A 30 19.529 -18.733 -17.690 1.00 0.00 C ATOM 507 NE ARG A 30 19.716 -19.089 -16.286 1.00 0.00 N ATOM 508 CZ ARG A 30 19.836 -20.340 -15.855 1.00 0.00 C ATOM 509 NH1 ARG A 30 19.789 -21.348 -16.714 1.00 0.00 N ATOM 510 NH2 ARG A 30 20.004 -20.584 -14.561 1.00 0.00 N ATOM 0 H ARG A 30 16.758 -16.780 -18.924 1.00 0.00 H new ATOM 0 HA ARG A 30 16.525 -15.420 -16.484 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.558 -16.680 -15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.383 -17.700 -16.690 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.739 -17.120 -18.866 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.003 -16.640 -17.751 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.764 -19.375 -18.128 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.453 -18.919 -18.237 1.00 0.00 H new ATOM 0 HE ARG A 30 19.757 -18.336 -15.599 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.660 -21.164 -17.709 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.881 -22.307 -16.380 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.041 -19.811 -13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.096 -21.545 -14.231 1.00 0.00 H new ATOM 524 N THR A 31 18.952 -14.356 -18.453 1.00 0.00 N ATOM 525 CA THR A 31 19.883 -13.257 -18.676 1.00 0.00 C ATOM 526 C THR A 31 19.183 -11.909 -18.546 1.00 0.00 C ATOM 527 O THR A 31 19.586 -11.063 -17.746 1.00 0.00 O ATOM 528 CB THR A 31 20.539 -13.350 -20.066 1.00 0.00 C ATOM 529 OG1 THR A 31 21.553 -14.361 -20.063 1.00 0.00 O ATOM 530 CG2 THR A 31 21.148 -12.016 -20.468 1.00 0.00 C ATOM 0 H THR A 31 18.931 -15.049 -19.201 1.00 0.00 H new ATOM 0 HA THR A 31 20.656 -13.337 -17.912 1.00 0.00 H new ATOM 0 HB THR A 31 19.767 -13.612 -20.790 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.160 -15.220 -20.325 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.605 -12.107 -21.453 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.369 -11.255 -20.499 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.907 -11.729 -19.741 1.00 0.00 H new ATOM 538 N LEU A 32 18.133 -11.714 -19.336 1.00 0.00 N ATOM 539 CA LEU A 32 17.376 -10.467 -19.309 1.00 0.00 C ATOM 540 C LEU A 32 16.767 -10.230 -17.931 1.00 0.00 C ATOM 541 O LEU A 32 16.999 -9.194 -17.308 1.00 0.00 O ATOM 542 CB LEU A 32 16.274 -10.494 -20.369 1.00 0.00 C ATOM 543 CG LEU A 32 16.660 -11.085 -21.725 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.656 -10.676 -22.791 1.00 0.00 C ATOM 545 CD2 LEU A 32 18.065 -10.649 -22.116 1.00 0.00 C ATOM 0 H LEU A 32 17.786 -12.403 -20.003 1.00 0.00 H new ATOM 0 HA LEU A 32 18.062 -9.649 -19.528 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.432 -11.062 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.924 -9.474 -20.526 1.00 0.00 H new ATOM 0 HG LEU A 32 16.648 -12.172 -21.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.947 -11.106 -23.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.666 -11.039 -22.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.634 -9.589 -22.873 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.323 -11.079 -23.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.104 -9.562 -22.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.775 -10.994 -21.365 1.00 0.00 H new ATOM 557 N VAL A 33 15.988 -11.199 -17.459 1.00 0.00 N ATOM 558 CA VAL A 33 15.348 -11.097 -16.153 1.00 0.00 C ATOM 559 C VAL A 33 16.350 -10.683 -15.081 1.00 0.00 C ATOM 560 O VAL A 33 16.293 -9.568 -14.560 1.00 0.00 O ATOM 561 CB VAL A 33 14.696 -12.430 -15.743 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.162 -12.349 -14.320 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.587 -12.803 -16.716 1.00 0.00 C ATOM 0 H VAL A 33 15.785 -12.063 -17.962 1.00 0.00 H new ATOM 0 HA VAL A 33 14.575 -10.333 -16.238 1.00 0.00 H new ATOM 0 HB VAL A 33 15.456 -13.211 -15.777 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.705 -13.300 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.982 -12.132 -13.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.416 -11.557 -14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.138 -13.748 -16.411 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.826 -12.023 -16.717 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.002 -12.906 -17.719 1.00 0.00 H new ATOM 573 N LEU A 34 17.268 -11.586 -14.756 1.00 0.00 N ATOM 574 CA LEU A 34 18.284 -11.315 -13.746 1.00 0.00 C ATOM 575 C LEU A 34 19.051 -10.038 -14.074 1.00 0.00 C ATOM 576 O LEU A 34 19.458 -9.299 -13.178 1.00 0.00 O ATOM 577 CB LEU A 34 19.254 -12.493 -13.641 1.00 0.00 C ATOM 578 CG LEU A 34 18.618 -13.879 -13.523 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.662 -14.965 -13.726 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.935 -14.038 -12.172 1.00 0.00 C ATOM 0 H LEU A 34 17.330 -12.513 -15.178 1.00 0.00 H new ATOM 0 HA LEU A 34 17.782 -11.179 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.900 -12.485 -14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.894 -12.334 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 34 17.864 -13.980 -14.304 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.191 -15.944 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.105 -14.863 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.440 -14.868 -12.969 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.488 -15.030 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.670 -13.917 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.157 -13.281 -12.066 1.00 0.00 H new ATOM 592 N GLY A 35 19.243 -9.784 -15.365 1.00 0.00 N ATOM 593 CA GLY A 35 19.959 -8.595 -15.788 1.00 0.00 C ATOM 594 C GLY A 35 19.306 -7.319 -15.295 1.00 0.00 C ATOM 595 O GLY A 35 19.869 -6.605 -14.464 1.00 0.00 O ATOM 0 H GLY A 35 18.916 -10.380 -16.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.984 -8.641 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.013 -8.575 -16.876 1.00 0.00 H new ATOM 599 N LEU A 36 18.115 -7.029 -15.808 1.00 0.00 N ATOM 600 CA LEU A 36 17.385 -5.829 -15.416 1.00 0.00 C ATOM 601 C LEU A 36 17.173 -5.789 -13.906 1.00 0.00 C ATOM 602 O LEU A 36 16.999 -4.720 -13.321 1.00 0.00 O ATOM 603 CB LEU A 36 16.035 -5.772 -16.133 1.00 0.00 C ATOM 604 CG LEU A 36 15.148 -7.009 -15.993 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.294 -6.915 -14.738 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.271 -7.180 -17.225 1.00 0.00 C ATOM 0 H LEU A 36 17.635 -7.609 -16.496 1.00 0.00 H new ATOM 0 HA LEU A 36 17.980 -4.962 -15.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.483 -4.910 -15.758 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.217 -5.598 -17.194 1.00 0.00 H new ATOM 0 HG LEU A 36 15.791 -7.885 -15.905 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.669 -7.804 -14.655 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.940 -6.843 -13.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.660 -6.030 -14.795 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.647 -8.066 -17.107 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.636 -6.302 -17.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.901 -7.295 -18.107 1.00 0.00 H new ATOM 618 N VAL A 37 17.192 -6.961 -13.280 1.00 0.00 N ATOM 619 CA VAL A 37 17.005 -7.061 -11.837 1.00 0.00 C ATOM 620 C VAL A 37 18.175 -6.433 -11.087 1.00 0.00 C ATOM 621 O VAL A 37 17.996 -5.499 -10.308 1.00 0.00 O ATOM 622 CB VAL A 37 16.851 -8.527 -11.391 1.00 0.00 C ATOM 623 CG1 VAL A 37 16.992 -8.643 -9.881 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.514 -9.086 -11.854 1.00 0.00 C ATOM 0 H VAL A 37 17.335 -7.855 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 37 16.090 -6.519 -11.598 1.00 0.00 H new ATOM 0 HB VAL A 37 17.645 -9.115 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.880 -9.686 -9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.975 -8.283 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.221 -8.043 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.421 -10.123 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.704 -8.498 -11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.457 -9.039 -12.941 1.00 0.00 H new ATOM 634 N ASN A 38 19.374 -6.954 -11.330 1.00 0.00 N ATOM 635 CA ASN A 38 20.574 -6.445 -10.677 1.00 0.00 C ATOM 636 C ASN A 38 21.511 -5.796 -11.691 1.00 0.00 C ATOM 637 O ASN A 38 21.995 -4.684 -11.482 1.00 0.00 O ATOM 638 CB ASN A 38 21.301 -7.575 -9.945 1.00 0.00 C ATOM 639 CG ASN A 38 21.499 -8.797 -10.821 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.465 -8.880 -11.580 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.582 -9.753 -10.719 1.00 0.00 N ATOM 0 H ASN A 38 19.540 -7.728 -11.974 1.00 0.00 H new ATOM 0 HA ASN A 38 20.270 -5.689 -9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.271 -7.217 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.732 -7.855 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.662 -10.599 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.798 -9.641 -10.076 1.00 0.00 H new ATOM 648 N SER A 39 21.762 -6.499 -12.791 1.00 0.00 N ATOM 649 CA SER A 39 22.643 -5.993 -13.837 1.00 0.00 C ATOM 650 C SER A 39 22.050 -4.751 -14.495 1.00 0.00 C ATOM 651 O SER A 39 20.874 -4.436 -14.308 1.00 0.00 O ATOM 652 CB SER A 39 22.890 -7.074 -14.892 1.00 0.00 C ATOM 653 OG SER A 39 24.184 -6.950 -15.456 1.00 0.00 O ATOM 0 H SER A 39 21.368 -7.420 -12.981 1.00 0.00 H new ATOM 0 HA SER A 39 23.592 -5.720 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.780 -8.060 -14.440 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.139 -6.998 -15.678 1.00 0.00 H new ATOM 0 HG SER A 39 24.318 -7.653 -16.126 1.00 0.00 H new ATOM 659 N THR A 40 22.872 -4.047 -15.266 1.00 0.00 N ATOM 660 CA THR A 40 22.431 -2.839 -15.951 1.00 0.00 C ATOM 661 C THR A 40 21.614 -3.177 -17.192 1.00 0.00 C ATOM 662 O THR A 40 22.160 -3.325 -18.287 1.00 0.00 O ATOM 663 CB THR A 40 23.626 -1.957 -16.361 1.00 0.00 C ATOM 664 OG1 THR A 40 24.264 -1.424 -15.196 1.00 0.00 O ATOM 665 CG2 THR A 40 23.174 -0.819 -17.264 1.00 0.00 C ATOM 0 H THR A 40 23.848 -4.293 -15.432 1.00 0.00 H new ATOM 0 HA THR A 40 21.807 -2.288 -15.248 1.00 0.00 H new ATOM 0 HB THR A 40 24.335 -2.576 -16.911 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.023 -0.866 -15.465 1.00 0.00 H new ATOM 0 HG21 THR A 40 24.035 -0.210 -17.540 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.715 -1.229 -18.164 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.448 -0.202 -16.735 1.00 0.00 H new ATOM 673 N LEU A 41 20.302 -3.299 -17.017 1.00 0.00 N ATOM 674 CA LEU A 41 19.409 -3.620 -18.124 1.00 0.00 C ATOM 675 C LEU A 41 18.070 -2.907 -17.967 1.00 0.00 C ATOM 676 O LEU A 41 17.502 -2.860 -16.875 1.00 0.00 O ATOM 677 CB LEU A 41 19.188 -5.132 -18.205 1.00 0.00 C ATOM 678 CG LEU A 41 20.049 -5.882 -19.222 1.00 0.00 C ATOM 679 CD1 LEU A 41 21.120 -6.698 -18.515 1.00 0.00 C ATOM 680 CD2 LEU A 41 19.183 -6.778 -20.096 1.00 0.00 C ATOM 0 H LEU A 41 19.834 -3.180 -16.119 1.00 0.00 H new ATOM 0 HA LEU A 41 19.877 -3.277 -19.047 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.371 -5.559 -17.219 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.140 -5.314 -18.442 1.00 0.00 H new ATOM 0 HG LEU A 41 20.542 -5.151 -19.862 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.723 -7.225 -19.254 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.758 -6.034 -17.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.647 -7.421 -17.850 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.812 -7.304 -20.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.662 -7.503 -19.470 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.453 -6.170 -20.630 1.00 0.00 H new ATOM 692 N THR A 42 17.568 -2.352 -19.067 1.00 0.00 N ATOM 693 CA THR A 42 16.295 -1.642 -19.052 1.00 0.00 C ATOM 694 C THR A 42 15.179 -2.502 -19.634 1.00 0.00 C ATOM 695 O THR A 42 15.435 -3.440 -20.389 1.00 0.00 O ATOM 696 CB THR A 42 16.379 -0.324 -19.844 1.00 0.00 C ATOM 697 OG1 THR A 42 15.119 0.355 -19.800 1.00 0.00 O ATOM 698 CG2 THR A 42 16.768 -0.586 -21.291 1.00 0.00 C ATOM 0 H THR A 42 18.024 -2.381 -19.979 1.00 0.00 H new ATOM 0 HA THR A 42 16.070 -1.417 -18.009 1.00 0.00 H new ATOM 0 HB THR A 42 17.145 0.301 -19.385 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.181 1.193 -20.304 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.821 0.360 -21.830 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.741 -1.077 -21.323 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.022 -1.229 -21.758 1.00 0.00 H new ATOM 706 N ILE A 43 13.941 -2.175 -19.280 1.00 0.00 N ATOM 707 CA ILE A 43 12.786 -2.917 -19.769 1.00 0.00 C ATOM 708 C ILE A 43 12.830 -3.066 -21.286 1.00 0.00 C ATOM 709 O ILE A 43 12.754 -4.175 -21.813 1.00 0.00 O ATOM 710 CB ILE A 43 11.466 -2.231 -19.370 1.00 0.00 C ATOM 711 CG1 ILE A 43 11.411 -2.023 -17.855 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.277 -3.056 -19.840 1.00 0.00 C ATOM 713 CD1 ILE A 43 10.643 -3.103 -17.124 1.00 0.00 C ATOM 0 H ILE A 43 13.712 -1.401 -18.656 1.00 0.00 H new ATOM 0 HA ILE A 43 12.827 -3.904 -19.308 1.00 0.00 H new ATOM 0 HB ILE A 43 11.421 -1.255 -19.854 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.428 -1.984 -17.465 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.952 -1.057 -17.645 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.352 -2.558 -19.551 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.311 -3.157 -20.925 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.316 -4.044 -19.382 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.645 -2.891 -16.055 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.615 -3.128 -17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.114 -4.069 -17.303 1.00 0.00 H new ATOM 725 N GLU A 44 12.955 -1.940 -21.982 1.00 0.00 N ATOM 726 CA GLU A 44 13.011 -1.946 -23.439 1.00 0.00 C ATOM 727 C GLU A 44 14.016 -2.979 -23.941 1.00 0.00 C ATOM 728 O GLU A 44 13.700 -3.800 -24.802 1.00 0.00 O ATOM 729 CB GLU A 44 13.385 -0.558 -23.963 1.00 0.00 C ATOM 730 CG GLU A 44 13.598 -0.512 -25.467 1.00 0.00 C ATOM 731 CD GLU A 44 13.907 0.884 -25.970 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.101 1.247 -26.016 1.00 0.00 O ATOM 733 OE2 GLU A 44 12.955 1.614 -26.317 1.00 0.00 O ATOM 0 H GLU A 44 13.019 -1.013 -21.561 1.00 0.00 H new ATOM 0 HA GLU A 44 12.023 -2.214 -23.814 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.598 0.147 -23.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.295 -0.224 -23.465 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.417 -1.180 -25.735 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.705 -0.885 -25.968 1.00 0.00 H new ATOM 740 N GLU A 45 15.228 -2.931 -23.396 1.00 0.00 N ATOM 741 CA GLU A 45 16.279 -3.861 -23.790 1.00 0.00 C ATOM 742 C GLU A 45 15.892 -5.297 -23.447 1.00 0.00 C ATOM 743 O GLU A 45 16.095 -6.213 -24.243 1.00 0.00 O ATOM 744 CB GLU A 45 17.596 -3.498 -23.100 1.00 0.00 C ATOM 745 CG GLU A 45 18.729 -4.463 -23.406 1.00 0.00 C ATOM 746 CD GLU A 45 19.701 -3.915 -24.434 1.00 0.00 C ATOM 747 OE1 GLU A 45 19.256 -3.176 -25.336 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.906 -4.226 -24.334 1.00 0.00 O ATOM 0 H GLU A 45 15.506 -2.258 -22.681 1.00 0.00 H new ATOM 0 HA GLU A 45 16.409 -3.786 -24.870 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.892 -2.494 -23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.436 -3.469 -22.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.268 -4.688 -22.486 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.313 -5.403 -23.770 1.00 0.00 H new ATOM 755 N PHE A 46 15.333 -5.484 -22.256 1.00 0.00 N ATOM 756 CA PHE A 46 14.918 -6.808 -21.805 1.00 0.00 C ATOM 757 C PHE A 46 13.835 -7.377 -22.716 1.00 0.00 C ATOM 758 O PHE A 46 13.619 -8.589 -22.761 1.00 0.00 O ATOM 759 CB PHE A 46 14.407 -6.742 -20.365 1.00 0.00 C ATOM 760 CG PHE A 46 13.145 -7.526 -20.141 1.00 0.00 C ATOM 761 CD1 PHE A 46 11.906 -6.948 -20.366 1.00 0.00 C ATOM 762 CD2 PHE A 46 13.198 -8.840 -19.706 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.743 -7.666 -20.159 1.00 0.00 C ATOM 764 CE2 PHE A 46 12.039 -9.564 -19.499 1.00 0.00 C ATOM 765 CZ PHE A 46 10.810 -8.976 -19.727 1.00 0.00 C ATOM 0 H PHE A 46 15.157 -4.736 -21.586 1.00 0.00 H new ATOM 0 HA PHE A 46 15.785 -7.467 -21.845 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.181 -7.116 -19.695 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.230 -5.700 -20.098 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.848 -5.925 -20.707 1.00 0.00 H new ATOM 0 HD2 PHE A 46 14.156 -9.304 -19.526 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.783 -7.203 -20.335 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.094 -10.588 -19.160 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.903 -9.540 -19.568 1.00 0.00 H new ATOM 775 N HIS A 47 13.156 -6.495 -23.442 1.00 0.00 N ATOM 776 CA HIS A 47 12.094 -6.909 -24.352 1.00 0.00 C ATOM 777 C HIS A 47 12.665 -7.291 -25.715 1.00 0.00 C ATOM 778 O HIS A 47 12.114 -8.141 -26.414 1.00 0.00 O ATOM 779 CB HIS A 47 11.066 -5.789 -24.514 1.00 0.00 C ATOM 780 CG HIS A 47 10.240 -5.908 -25.757 1.00 0.00 C ATOM 781 ND1 HIS A 47 9.578 -7.065 -26.113 1.00 0.00 N ATOM 782 CD2 HIS A 47 9.968 -5.007 -26.730 1.00 0.00 C ATOM 783 CE1 HIS A 47 8.937 -6.870 -27.251 1.00 0.00 C ATOM 784 NE2 HIS A 47 9.157 -5.629 -27.647 1.00 0.00 N ATOM 0 H HIS A 47 13.322 -5.489 -23.418 1.00 0.00 H new ATOM 0 HA HIS A 47 11.604 -7.783 -23.924 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.405 -5.786 -23.647 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.584 -4.830 -24.523 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.323 -3.988 -26.776 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.335 -7.601 -27.770 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.785 -5.202 -28.496 1.00 0.00 H new ATOM 792 N SER A 48 13.773 -6.656 -26.086 1.00 0.00 N ATOM 793 CA SER A 48 14.416 -6.927 -27.366 1.00 0.00 C ATOM 794 C SER A 48 14.804 -8.398 -27.480 1.00 0.00 C ATOM 795 O SER A 48 14.188 -9.159 -28.227 1.00 0.00 O ATOM 796 CB SER A 48 15.656 -6.046 -27.534 1.00 0.00 C ATOM 797 OG SER A 48 16.646 -6.702 -28.307 1.00 0.00 O ATOM 0 H SER A 48 14.243 -5.951 -25.518 1.00 0.00 H new ATOM 0 HA SER A 48 13.704 -6.696 -28.158 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.377 -5.108 -28.014 1.00 0.00 H new ATOM 0 HB3 SER A 48 16.063 -5.794 -26.555 1.00 0.00 H new ATOM 0 HG SER A 48 17.427 -6.118 -28.401 1.00 0.00 H new ATOM 803 N LYS A 49 15.830 -8.792 -26.733 1.00 0.00 N ATOM 804 CA LYS A 49 16.301 -10.172 -26.747 1.00 0.00 C ATOM 805 C LYS A 49 15.140 -11.145 -26.573 1.00 0.00 C ATOM 806 O LYS A 49 14.984 -12.087 -27.351 1.00 0.00 O ATOM 807 CB LYS A 49 17.334 -10.391 -25.639 1.00 0.00 C ATOM 808 CG LYS A 49 18.760 -10.097 -26.070 1.00 0.00 C ATOM 809 CD LYS A 49 19.080 -8.615 -25.965 1.00 0.00 C ATOM 810 CE LYS A 49 19.480 -8.230 -24.549 1.00 0.00 C ATOM 811 NZ LYS A 49 18.309 -7.783 -23.744 1.00 0.00 N ATOM 0 H LYS A 49 16.351 -8.175 -26.110 1.00 0.00 H new ATOM 0 HA LYS A 49 16.768 -10.360 -27.714 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.082 -9.757 -24.789 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.273 -11.424 -25.296 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.453 -10.665 -25.449 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.906 -10.430 -27.098 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.888 -8.367 -26.653 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.211 -8.032 -26.270 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.952 -9.082 -24.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.222 -7.432 -24.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.642 -7.326 -22.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.746 -7.106 -24.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.721 -8.605 -23.501 1.00 0.00 H new ATOM 825 N LEU A 50 14.326 -10.912 -25.549 1.00 0.00 N ATOM 826 CA LEU A 50 13.177 -11.768 -25.275 1.00 0.00 C ATOM 827 C LEU A 50 12.285 -11.894 -26.505 1.00 0.00 C ATOM 828 O LEU A 50 11.860 -12.991 -26.865 1.00 0.00 O ATOM 829 CB LEU A 50 12.370 -11.210 -24.101 1.00 0.00 C ATOM 830 CG LEU A 50 11.755 -12.245 -23.158 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.470 -11.625 -21.798 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.483 -12.824 -23.758 1.00 0.00 C ATOM 0 H LEU A 50 14.440 -10.138 -24.895 1.00 0.00 H new ATOM 0 HA LEU A 50 13.548 -12.760 -25.016 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.019 -10.557 -23.518 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.568 -10.589 -24.500 1.00 0.00 H new ATOM 0 HG LEU A 50 12.471 -13.056 -23.023 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.033 -12.376 -21.140 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.400 -11.259 -21.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.773 -10.795 -21.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.059 -13.559 -23.073 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.762 -12.024 -23.923 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.715 -13.305 -24.708 1.00 0.00 H new ATOM 844 N GLN A 51 12.008 -10.763 -27.147 1.00 0.00 N ATOM 845 CA GLN A 51 11.168 -10.748 -28.339 1.00 0.00 C ATOM 846 C GLN A 51 11.665 -11.757 -29.368 1.00 0.00 C ATOM 847 O GLN A 51 10.876 -12.489 -29.964 1.00 0.00 O ATOM 848 CB GLN A 51 11.142 -9.347 -28.952 1.00 0.00 C ATOM 849 CG GLN A 51 10.249 -9.236 -30.178 1.00 0.00 C ATOM 850 CD GLN A 51 10.503 -7.970 -30.972 1.00 0.00 C ATOM 851 OE1 GLN A 51 11.025 -6.987 -30.445 1.00 0.00 O ATOM 852 NE2 GLN A 51 10.134 -7.986 -32.247 1.00 0.00 N ATOM 0 H GLN A 51 12.353 -9.846 -26.862 1.00 0.00 H new ATOM 0 HA GLN A 51 10.156 -11.027 -28.044 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.801 -8.636 -28.199 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.157 -9.060 -29.225 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.411 -10.102 -30.820 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.205 -9.261 -29.866 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.705 -8.822 -32.643 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.280 -7.162 -32.830 1.00 0.00 H new ATOM 861 N GLU A 52 12.979 -11.790 -29.571 1.00 0.00 N ATOM 862 CA GLU A 52 13.580 -12.710 -30.530 1.00 0.00 C ATOM 863 C GLU A 52 13.949 -14.030 -29.860 1.00 0.00 C ATOM 864 O GLU A 52 14.424 -14.958 -30.513 1.00 0.00 O ATOM 865 CB GLU A 52 14.823 -12.081 -31.163 1.00 0.00 C ATOM 866 CG GLU A 52 15.842 -11.592 -30.147 1.00 0.00 C ATOM 867 CD GLU A 52 17.182 -11.263 -30.776 1.00 0.00 C ATOM 868 OE1 GLU A 52 17.213 -10.417 -31.694 1.00 0.00 O ATOM 869 OE2 GLU A 52 18.198 -11.851 -30.351 1.00 0.00 O ATOM 0 H GLU A 52 13.646 -11.191 -29.085 1.00 0.00 H new ATOM 0 HA GLU A 52 12.846 -12.912 -31.310 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.297 -12.813 -31.817 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.517 -11.244 -31.790 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.453 -10.706 -29.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.982 -12.356 -29.382 1.00 0.00 H new ATOM 876 N ALA A 53 13.727 -14.105 -28.552 1.00 0.00 N ATOM 877 CA ALA A 53 14.035 -15.311 -27.792 1.00 0.00 C ATOM 878 C ALA A 53 12.843 -16.261 -27.765 1.00 0.00 C ATOM 879 O ALA A 53 12.987 -17.462 -27.997 1.00 0.00 O ATOM 880 CB ALA A 53 14.457 -14.949 -26.376 1.00 0.00 C ATOM 0 H ALA A 53 13.335 -13.345 -27.996 1.00 0.00 H new ATOM 0 HA ALA A 53 14.862 -15.821 -28.286 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.684 -15.859 -25.820 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.343 -14.315 -26.411 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.647 -14.414 -25.881 1.00 0.00 H new ATOM 886 N THR A 54 11.664 -15.717 -27.479 1.00 0.00 N ATOM 887 CA THR A 54 10.447 -16.516 -27.419 1.00 0.00 C ATOM 888 C THR A 54 9.756 -16.568 -28.777 1.00 0.00 C ATOM 889 O THR A 54 9.665 -15.561 -29.476 1.00 0.00 O ATOM 890 CB THR A 54 9.460 -15.960 -26.375 1.00 0.00 C ATOM 891 OG1 THR A 54 8.857 -14.757 -26.863 1.00 0.00 O ATOM 892 CG2 THR A 54 10.167 -15.681 -25.057 1.00 0.00 C ATOM 0 H THR A 54 11.527 -14.725 -27.285 1.00 0.00 H new ATOM 0 HA THR A 54 10.745 -17.523 -27.126 1.00 0.00 H new ATOM 0 HB THR A 54 8.687 -16.709 -26.203 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.230 -14.411 -26.194 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.450 -15.289 -24.335 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.600 -16.605 -24.674 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.958 -14.949 -25.217 1.00 0.00 H new ATOM 900 N ASN A 55 9.270 -17.750 -29.143 1.00 0.00 N ATOM 901 CA ASN A 55 8.587 -17.933 -30.419 1.00 0.00 C ATOM 902 C ASN A 55 7.432 -16.947 -30.563 1.00 0.00 C ATOM 903 O ASN A 55 7.151 -16.166 -29.654 1.00 0.00 O ATOM 904 CB ASN A 55 8.066 -19.367 -30.541 1.00 0.00 C ATOM 905 CG ASN A 55 9.113 -20.396 -30.161 1.00 0.00 C ATOM 906 OD1 ASN A 55 9.450 -20.552 -28.987 1.00 0.00 O ATOM 907 ND2 ASN A 55 9.634 -21.105 -31.157 1.00 0.00 N ATOM 0 H ASN A 55 9.336 -18.594 -28.575 1.00 0.00 H new ATOM 0 HA ASN A 55 9.304 -17.745 -31.218 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.192 -19.489 -29.902 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.739 -19.546 -31.565 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.343 -21.812 -30.963 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.325 -20.942 -32.115 1.00 0.00 H new ATOM 914 N PHE A 56 6.765 -16.989 -31.712 1.00 0.00 N ATOM 915 CA PHE A 56 5.641 -16.099 -31.977 1.00 0.00 C ATOM 916 C PHE A 56 6.080 -14.638 -31.928 1.00 0.00 C ATOM 917 O PHE A 56 7.146 -14.301 -31.413 1.00 0.00 O ATOM 918 CB PHE A 56 4.522 -16.341 -30.962 1.00 0.00 C ATOM 919 CG PHE A 56 4.541 -17.720 -30.366 1.00 0.00 C ATOM 920 CD1 PHE A 56 4.348 -18.836 -31.164 1.00 0.00 C ATOM 921 CD2 PHE A 56 4.753 -17.899 -29.009 1.00 0.00 C ATOM 922 CE1 PHE A 56 4.365 -20.106 -30.617 1.00 0.00 C ATOM 923 CE2 PHE A 56 4.771 -19.166 -28.457 1.00 0.00 C ATOM 924 CZ PHE A 56 4.578 -20.271 -29.263 1.00 0.00 C ATOM 0 H PHE A 56 6.984 -17.630 -32.474 1.00 0.00 H new ATOM 0 HA PHE A 56 5.268 -16.314 -32.978 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.604 -15.606 -30.161 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.560 -16.177 -31.448 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.183 -18.713 -32.224 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.906 -17.038 -28.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.212 -20.968 -31.249 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.936 -19.292 -27.397 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.594 -21.262 -28.835 1.00 0.00 H new ATOM 934 N PRO A 57 5.239 -13.749 -32.476 1.00 0.00 N ATOM 935 CA PRO A 57 5.517 -12.311 -32.508 1.00 0.00 C ATOM 936 C PRO A 57 5.442 -11.675 -31.124 1.00 0.00 C ATOM 937 O PRO A 57 5.110 -12.339 -30.142 1.00 0.00 O ATOM 938 CB PRO A 57 4.414 -11.755 -33.413 1.00 0.00 C ATOM 939 CG PRO A 57 3.300 -12.738 -33.298 1.00 0.00 C ATOM 940 CD PRO A 57 3.950 -14.080 -33.108 1.00 0.00 C ATOM 0 HA PRO A 57 6.525 -12.099 -32.864 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.101 -10.762 -33.091 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.756 -11.663 -34.444 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.651 -12.496 -32.456 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.678 -12.729 -34.193 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.348 -14.732 -32.475 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.089 -14.597 -34.057 1.00 0.00 H new ATOM 948 N LEU A 58 5.751 -10.385 -31.053 1.00 0.00 N ATOM 949 CA LEU A 58 5.718 -9.659 -29.788 1.00 0.00 C ATOM 950 C LEU A 58 4.457 -9.996 -29.000 1.00 0.00 C ATOM 951 O LEU A 58 3.348 -9.943 -29.531 1.00 0.00 O ATOM 952 CB LEU A 58 5.787 -8.152 -30.041 1.00 0.00 C ATOM 953 CG LEU A 58 5.384 -7.255 -28.870 1.00 0.00 C ATOM 954 CD1 LEU A 58 6.295 -6.040 -28.790 1.00 0.00 C ATOM 955 CD2 LEU A 58 3.930 -6.827 -29.001 1.00 0.00 C ATOM 0 H LEU A 58 6.027 -9.820 -31.856 1.00 0.00 H new ATOM 0 HA LEU A 58 6.584 -9.963 -29.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.807 -7.899 -30.332 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.145 -7.917 -30.890 1.00 0.00 H new ATOM 0 HG LEU A 58 5.492 -7.825 -27.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.993 -5.413 -27.951 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.325 -6.366 -28.647 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.221 -5.468 -29.715 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.661 -6.189 -28.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.796 -6.275 -29.931 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.290 -7.709 -29.007 1.00 0.00 H new ATOM 967 N ARG A 59 4.635 -10.342 -27.729 1.00 0.00 N ATOM 968 CA ARG A 59 3.511 -10.687 -26.866 1.00 0.00 C ATOM 969 C ARG A 59 2.768 -9.434 -26.413 1.00 0.00 C ATOM 970 O ARG A 59 3.297 -8.322 -26.450 1.00 0.00 O ATOM 971 CB ARG A 59 3.999 -11.473 -25.647 1.00 0.00 C ATOM 972 CG ARG A 59 5.263 -10.905 -25.023 1.00 0.00 C ATOM 973 CD ARG A 59 5.075 -10.628 -23.539 1.00 0.00 C ATOM 974 NE ARG A 59 5.068 -11.857 -22.750 1.00 0.00 N ATOM 975 CZ ARG A 59 6.163 -12.550 -22.458 1.00 0.00 C ATOM 976 NH1 ARG A 59 7.347 -12.136 -22.887 1.00 0.00 N ATOM 977 NH2 ARG A 59 6.075 -13.659 -21.735 1.00 0.00 N ATOM 0 H ARG A 59 5.547 -10.391 -27.274 1.00 0.00 H new ATOM 0 HA ARG A 59 2.823 -11.309 -27.439 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.209 -11.490 -24.896 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.182 -12.507 -25.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.086 -11.606 -25.162 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.540 -9.983 -25.534 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.875 -9.976 -23.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.138 -10.093 -23.386 1.00 0.00 H new ATOM 0 HE ARG A 59 4.173 -12.202 -22.404 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.419 -11.284 -23.443 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.186 -12.670 -22.661 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.166 -13.980 -21.403 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.917 -14.190 -21.512 1.00 0.00 H new ATOM 991 N PRO A 60 1.513 -9.615 -25.977 1.00 0.00 N ATOM 992 CA PRO A 60 0.671 -8.510 -25.509 1.00 0.00 C ATOM 993 C PRO A 60 1.154 -7.935 -24.181 1.00 0.00 C ATOM 994 O PRO A 60 1.248 -8.648 -23.182 1.00 0.00 O ATOM 995 CB PRO A 60 -0.705 -9.160 -25.341 1.00 0.00 C ATOM 996 CG PRO A 60 -0.417 -10.603 -25.109 1.00 0.00 C ATOM 997 CD PRO A 60 0.820 -10.912 -25.907 1.00 0.00 C ATOM 0 HA PRO A 60 0.679 -7.669 -26.202 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.248 -8.725 -24.502 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.321 -9.017 -26.229 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.258 -10.804 -24.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.253 -11.224 -25.429 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.434 -11.670 -25.420 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.574 -11.290 -26.899 1.00 0.00 H new ATOM 1005 N PHE A 61 1.459 -6.642 -24.178 1.00 0.00 N ATOM 1006 CA PHE A 61 1.933 -5.971 -22.973 1.00 0.00 C ATOM 1007 C PHE A 61 3.242 -6.586 -22.488 1.00 0.00 C ATOM 1008 O PHE A 61 3.260 -7.367 -21.536 1.00 0.00 O ATOM 1009 CB PHE A 61 0.877 -6.055 -21.869 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.506 -5.696 -22.333 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -0.834 -4.381 -22.623 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -1.477 -6.673 -22.479 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.105 -4.048 -23.050 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -2.751 -6.346 -22.906 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.065 -5.032 -23.192 1.00 0.00 C ATOM 0 H PHE A 61 1.386 -6.038 -24.996 1.00 0.00 H new ATOM 0 HA PHE A 61 2.112 -4.924 -23.216 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.865 -7.067 -21.465 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.162 -5.390 -21.054 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.088 -3.608 -22.514 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.236 -7.702 -22.257 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.348 -3.020 -23.273 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.499 -7.117 -23.016 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.059 -4.774 -23.526 1.00 0.00 H new ATOM 1025 N VAL A 62 4.338 -6.229 -23.150 1.00 0.00 N ATOM 1026 CA VAL A 62 5.653 -6.745 -22.787 1.00 0.00 C ATOM 1027 C VAL A 62 6.391 -5.773 -21.873 1.00 0.00 C ATOM 1028 O VAL A 62 6.725 -6.108 -20.736 1.00 0.00 O ATOM 1029 CB VAL A 62 6.515 -7.013 -24.035 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.598 -8.035 -23.727 1.00 0.00 C ATOM 1031 CG2 VAL A 62 5.644 -7.478 -25.193 1.00 0.00 C ATOM 0 H VAL A 62 4.341 -5.584 -23.941 1.00 0.00 H new ATOM 0 HA VAL A 62 5.490 -7.684 -22.259 1.00 0.00 H new ATOM 0 HB VAL A 62 7.001 -6.082 -24.327 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.197 -8.211 -24.621 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.238 -7.657 -22.930 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.136 -8.970 -23.409 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.269 -7.663 -26.067 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.129 -8.397 -24.914 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.910 -6.707 -25.428 1.00 0.00 H new ATOM 1041 N ILE A 63 6.641 -4.570 -22.376 1.00 0.00 N ATOM 1042 CA ILE A 63 7.338 -3.549 -21.604 1.00 0.00 C ATOM 1043 C ILE A 63 6.584 -3.221 -20.319 1.00 0.00 C ATOM 1044 O ILE A 63 7.150 -3.198 -19.226 1.00 0.00 O ATOM 1045 CB ILE A 63 7.526 -2.256 -22.419 1.00 0.00 C ATOM 1046 CG1 ILE A 63 8.280 -2.552 -23.718 1.00 0.00 C ATOM 1047 CG2 ILE A 63 8.267 -1.213 -21.596 1.00 0.00 C ATOM 1048 CD1 ILE A 63 9.646 -3.163 -23.497 1.00 0.00 C ATOM 0 H ILE A 63 6.371 -4.278 -23.315 1.00 0.00 H new ATOM 0 HA ILE A 63 8.318 -3.957 -21.354 1.00 0.00 H new ATOM 0 HB ILE A 63 6.544 -1.858 -22.673 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.683 -3.228 -24.329 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.392 -1.627 -24.283 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.392 -0.305 -22.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.695 -0.985 -20.697 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.246 -1.600 -21.314 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.123 -3.346 -24.460 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.260 -2.479 -22.912 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.540 -4.105 -22.959 1.00 0.00 H new ATOM 1060 N PRO A 64 5.274 -2.963 -20.451 1.00 0.00 N ATOM 1061 CA PRO A 64 4.413 -2.635 -19.311 1.00 0.00 C ATOM 1062 C PRO A 64 4.185 -3.831 -18.393 1.00 0.00 C ATOM 1063 O PRO A 64 3.594 -3.699 -17.322 1.00 0.00 O ATOM 1064 CB PRO A 64 3.099 -2.208 -19.971 1.00 0.00 C ATOM 1065 CG PRO A 64 3.095 -2.901 -21.290 1.00 0.00 C ATOM 1066 CD PRO A 64 4.533 -2.973 -21.724 1.00 0.00 C ATOM 0 HA PRO A 64 4.855 -1.869 -18.674 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.240 -2.500 -19.368 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.050 -1.126 -20.092 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.662 -3.898 -21.206 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.495 -2.353 -22.017 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.734 -3.877 -22.299 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.805 -2.127 -22.354 1.00 0.00 H new ATOM 1074 N PHE A 65 4.658 -4.997 -18.820 1.00 0.00 N ATOM 1075 CA PHE A 65 4.506 -6.217 -18.036 1.00 0.00 C ATOM 1076 C PHE A 65 5.369 -6.167 -16.779 1.00 0.00 C ATOM 1077 O PHE A 65 4.855 -6.106 -15.661 1.00 0.00 O ATOM 1078 CB PHE A 65 4.880 -7.439 -18.877 1.00 0.00 C ATOM 1079 CG PHE A 65 3.962 -8.610 -18.674 1.00 0.00 C ATOM 1080 CD1 PHE A 65 3.341 -8.817 -17.452 1.00 0.00 C ATOM 1081 CD2 PHE A 65 3.719 -9.504 -19.704 1.00 0.00 C ATOM 1082 CE1 PHE A 65 2.497 -9.895 -17.262 1.00 0.00 C ATOM 1083 CE2 PHE A 65 2.875 -10.583 -19.520 1.00 0.00 C ATOM 1084 CZ PHE A 65 2.262 -10.778 -18.298 1.00 0.00 C ATOM 0 H PHE A 65 5.150 -5.123 -19.705 1.00 0.00 H new ATOM 0 HA PHE A 65 3.461 -6.298 -17.735 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.873 -7.161 -19.931 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.899 -7.740 -18.633 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.519 -8.128 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.195 -9.356 -20.662 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.022 -10.047 -16.304 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.695 -11.273 -20.331 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.600 -11.619 -18.153 1.00 0.00 H new ATOM 1094 N LEU A 66 6.683 -6.193 -16.970 1.00 0.00 N ATOM 1095 CA LEU A 66 7.620 -6.152 -15.852 1.00 0.00 C ATOM 1096 C LEU A 66 7.852 -4.717 -15.389 1.00 0.00 C ATOM 1097 O LEU A 66 8.418 -4.481 -14.321 1.00 0.00 O ATOM 1098 CB LEU A 66 8.950 -6.793 -16.251 1.00 0.00 C ATOM 1099 CG LEU A 66 9.719 -7.496 -15.132 1.00 0.00 C ATOM 1100 CD1 LEU A 66 9.019 -8.785 -14.731 1.00 0.00 C ATOM 1101 CD2 LEU A 66 11.151 -7.777 -15.564 1.00 0.00 C ATOM 0 H LEU A 66 7.124 -6.242 -17.888 1.00 0.00 H new ATOM 0 HA LEU A 66 7.186 -6.715 -15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.758 -7.517 -17.043 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.591 -6.019 -16.674 1.00 0.00 H new ATOM 0 HG LEU A 66 9.745 -6.836 -14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.581 -9.271 -13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.012 -8.558 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.961 -9.451 -15.592 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.683 -8.278 -14.755 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.146 -8.417 -16.446 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.651 -6.838 -15.800 1.00 0.00 H new ATOM 1113 N LYS A 67 7.411 -3.761 -16.199 1.00 0.00 N ATOM 1114 CA LYS A 67 7.568 -2.349 -15.873 1.00 0.00 C ATOM 1115 C LYS A 67 6.994 -2.042 -14.494 1.00 0.00 C ATOM 1116 O LYS A 67 7.471 -1.146 -13.798 1.00 0.00 O ATOM 1117 CB LYS A 67 6.879 -1.481 -16.929 1.00 0.00 C ATOM 1118 CG LYS A 67 7.847 -0.776 -17.864 1.00 0.00 C ATOM 1119 CD LYS A 67 8.079 0.665 -17.443 1.00 0.00 C ATOM 1120 CE LYS A 67 9.467 0.856 -16.850 1.00 0.00 C ATOM 1121 NZ LYS A 67 9.596 2.166 -16.153 1.00 0.00 N ATOM 0 H LYS A 67 6.942 -3.939 -17.087 1.00 0.00 H new ATOM 0 HA LYS A 67 8.634 -2.120 -15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.207 -2.105 -17.518 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.263 -0.735 -16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.797 -1.310 -17.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.455 -0.800 -18.881 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.957 1.321 -18.305 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.326 0.957 -16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.676 0.049 -16.148 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.213 0.791 -17.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.556 2.259 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.421 2.937 -16.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.902 2.218 -15.381 1.00 0.00 H new ATOM 1135 N ALA A 68 5.968 -2.792 -14.105 1.00 0.00 N ATOM 1136 CA ALA A 68 5.331 -2.602 -12.807 1.00 0.00 C ATOM 1137 C ALA A 68 5.687 -3.735 -11.850 1.00 0.00 C ATOM 1138 O ALA A 68 5.116 -3.847 -10.766 1.00 0.00 O ATOM 1139 CB ALA A 68 3.822 -2.500 -12.970 1.00 0.00 C ATOM 0 H ALA A 68 5.560 -3.537 -14.670 1.00 0.00 H new ATOM 0 HA ALA A 68 5.703 -1.671 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.359 -2.358 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.582 -1.652 -13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.442 -3.416 -13.422 1.00 0.00 H new ATOM 1145 N ASN A 69 6.634 -4.574 -12.259 1.00 0.00 N ATOM 1146 CA ASN A 69 7.064 -5.699 -11.438 1.00 0.00 C ATOM 1147 C ASN A 69 8.569 -5.649 -11.192 1.00 0.00 C ATOM 1148 O ASN A 69 9.120 -6.483 -10.472 1.00 0.00 O ATOM 1149 CB ASN A 69 6.690 -7.021 -12.111 1.00 0.00 C ATOM 1150 CG ASN A 69 5.200 -7.300 -12.049 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.652 -7.568 -10.981 1.00 0.00 O ATOM 1152 ND2 ASN A 69 4.539 -7.238 -13.199 1.00 0.00 N ATOM 0 H ASN A 69 7.118 -4.495 -13.154 1.00 0.00 H new ATOM 0 HA ASN A 69 6.554 -5.631 -10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.010 -6.998 -13.153 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.230 -7.836 -11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.535 -7.416 -13.220 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.035 -7.012 -14.061 1.00 0.00 H new ATOM 1159 N LEU A 70 9.229 -4.667 -11.795 1.00 0.00 N ATOM 1160 CA LEU A 70 10.671 -4.506 -11.642 1.00 0.00 C ATOM 1161 C LEU A 70 11.074 -4.584 -10.173 1.00 0.00 C ATOM 1162 O LEU A 70 11.954 -5.352 -9.785 1.00 0.00 O ATOM 1163 CB LEU A 70 11.121 -3.171 -12.236 1.00 0.00 C ATOM 1164 CG LEU A 70 12.486 -3.169 -12.926 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.536 -3.811 -12.032 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.409 -3.890 -14.263 1.00 0.00 C ATOM 0 H LEU A 70 8.789 -3.970 -12.395 1.00 0.00 H new ATOM 0 HA LEU A 70 11.162 -5.318 -12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.371 -2.846 -12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.139 -2.429 -11.438 1.00 0.00 H new ATOM 0 HG LEU A 70 12.777 -2.135 -13.110 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.501 -3.801 -12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.610 -3.252 -11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.250 -4.841 -11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.389 -3.879 -14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.095 -4.922 -14.103 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.687 -3.387 -14.906 1.00 0.00 H new ATOM 1178 N PRO A 71 10.414 -3.771 -9.334 1.00 0.00 N ATOM 1179 CA PRO A 71 10.685 -3.732 -7.894 1.00 0.00 C ATOM 1180 C PRO A 71 10.226 -5.000 -7.182 1.00 0.00 C ATOM 1181 O PRO A 71 10.644 -5.279 -6.058 1.00 0.00 O ATOM 1182 CB PRO A 71 9.874 -2.525 -7.414 1.00 0.00 C ATOM 1183 CG PRO A 71 8.776 -2.386 -8.411 1.00 0.00 C ATOM 1184 CD PRO A 71 9.353 -2.829 -9.727 1.00 0.00 C ATOM 0 HA PRO A 71 11.752 -3.659 -7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.480 -2.687 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.489 -1.626 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.918 -2.999 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.427 -1.355 -8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.602 -3.309 -10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.752 -1.988 -10.294 1.00 0.00 H new ATOM 1192 N LEU A 72 9.365 -5.764 -7.844 1.00 0.00 N ATOM 1193 CA LEU A 72 8.849 -7.005 -7.274 1.00 0.00 C ATOM 1194 C LEU A 72 9.694 -8.197 -7.710 1.00 0.00 C ATOM 1195 O LEU A 72 9.652 -9.261 -7.092 1.00 0.00 O ATOM 1196 CB LEU A 72 7.393 -7.216 -7.695 1.00 0.00 C ATOM 1197 CG LEU A 72 6.334 -6.611 -6.774 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.629 -6.955 -5.322 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.261 -5.103 -6.962 1.00 0.00 C ATOM 0 H LEU A 72 9.009 -5.547 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 72 8.899 -6.926 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.260 -6.798 -8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.210 -8.288 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 72 5.366 -7.037 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.864 -6.516 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.629 -8.038 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.606 -6.558 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.502 -4.690 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.229 -4.660 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.000 -4.877 -7.996 1.00 0.00 H new ATOM 1211 N LEU A 73 10.463 -8.011 -8.778 1.00 0.00 N ATOM 1212 CA LEU A 73 11.322 -9.071 -9.296 1.00 0.00 C ATOM 1213 C LEU A 73 12.692 -9.037 -8.628 1.00 0.00 C ATOM 1214 O LEU A 73 13.337 -10.072 -8.459 1.00 0.00 O ATOM 1215 CB LEU A 73 11.477 -8.934 -10.811 1.00 0.00 C ATOM 1216 CG LEU A 73 10.809 -10.020 -11.655 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.448 -11.374 -11.385 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.314 -10.069 -11.377 1.00 0.00 C ATOM 0 H LEU A 73 10.509 -7.137 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 73 10.852 -10.028 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.072 -7.968 -11.112 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.541 -8.921 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 73 10.954 -9.775 -12.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.960 -12.135 -11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.508 -11.333 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.335 -11.626 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.856 -10.848 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.147 -10.289 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.867 -9.106 -11.622 1.00 0.00 H new ATOM 1230 N GLN A 74 13.130 -7.841 -8.247 1.00 0.00 N ATOM 1231 CA GLN A 74 14.424 -7.673 -7.596 1.00 0.00 C ATOM 1232 C GLN A 74 14.386 -8.202 -6.166 1.00 0.00 C ATOM 1233 O GLN A 74 15.408 -8.242 -5.482 1.00 0.00 O ATOM 1234 CB GLN A 74 14.831 -6.199 -7.597 1.00 0.00 C ATOM 1235 CG GLN A 74 13.720 -5.260 -7.156 1.00 0.00 C ATOM 1236 CD GLN A 74 14.093 -4.450 -5.930 1.00 0.00 C ATOM 1237 OE1 GLN A 74 14.655 -5.116 -4.928 1.00 0.00 O flip ATOM 1238 NE2 GLN A 74 13.878 -3.238 -5.883 1.00 0.00 N flip ATOM 0 H GLN A 74 12.608 -6.975 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 74 15.162 -8.246 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 74 15.689 -6.067 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.154 -5.921 -8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.476 -4.582 -7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.822 -5.840 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 74 13.444 -2.766 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.134 -2.706 -5.051 1.00 0.00 H new ATOM 1247 N ARG A 75 13.201 -8.606 -5.721 1.00 0.00 N ATOM 1248 CA ARG A 75 13.030 -9.130 -4.371 1.00 0.00 C ATOM 1249 C ARG A 75 13.290 -10.633 -4.335 1.00 0.00 C ATOM 1250 O ARG A 75 14.039 -11.122 -3.490 1.00 0.00 O ATOM 1251 CB ARG A 75 11.618 -8.834 -3.861 1.00 0.00 C ATOM 1252 CG ARG A 75 11.073 -7.492 -4.322 1.00 0.00 C ATOM 1253 CD ARG A 75 11.494 -6.369 -3.387 1.00 0.00 C ATOM 1254 NE ARG A 75 12.884 -6.504 -2.960 1.00 0.00 N ATOM 1255 CZ ARG A 75 13.246 -7.010 -1.787 1.00 0.00 C ATOM 1256 NH1 ARG A 75 12.326 -7.427 -0.928 1.00 0.00 N ATOM 1257 NH2 ARG A 75 14.532 -7.101 -1.471 1.00 0.00 N ATOM 0 H ARG A 75 12.345 -8.581 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 75 13.754 -8.637 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.946 -9.624 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.621 -8.860 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.429 -7.280 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.985 -7.537 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.360 -5.411 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.845 -6.364 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 75 13.617 -6.193 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.337 -7.360 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.607 -7.815 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.243 -6.782 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.809 -7.490 -0.570 1.00 0.00 H new ATOM 1271 N GLU A 76 12.666 -11.359 -5.258 1.00 0.00 N ATOM 1272 CA GLU A 76 12.830 -12.806 -5.330 1.00 0.00 C ATOM 1273 C GLU A 76 14.274 -13.175 -5.656 1.00 0.00 C ATOM 1274 O GLU A 76 14.716 -14.295 -5.394 1.00 0.00 O ATOM 1275 CB GLU A 76 11.891 -13.397 -6.383 1.00 0.00 C ATOM 1276 CG GLU A 76 12.272 -13.036 -7.809 1.00 0.00 C ATOM 1277 CD GLU A 76 11.436 -13.770 -8.840 1.00 0.00 C ATOM 1278 OE1 GLU A 76 10.335 -13.282 -9.168 1.00 0.00 O ATOM 1279 OE2 GLU A 76 11.885 -14.832 -9.319 1.00 0.00 O ATOM 0 H GLU A 76 12.043 -10.969 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 76 12.578 -13.223 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.882 -14.482 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.876 -13.051 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.156 -11.962 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.325 -13.267 -7.969 1.00 0.00 H new ATOM 1286 N LEU A 77 15.005 -12.226 -6.231 1.00 0.00 N ATOM 1287 CA LEU A 77 16.400 -12.449 -6.594 1.00 0.00 C ATOM 1288 C LEU A 77 17.206 -12.930 -5.392 1.00 0.00 C ATOM 1289 O LEU A 77 18.008 -13.859 -5.500 1.00 0.00 O ATOM 1290 CB LEU A 77 17.014 -11.165 -7.154 1.00 0.00 C ATOM 1291 CG LEU A 77 18.022 -11.341 -8.289 1.00 0.00 C ATOM 1292 CD1 LEU A 77 19.185 -12.213 -7.840 1.00 0.00 C ATOM 1293 CD2 LEU A 77 17.347 -11.941 -9.514 1.00 0.00 C ATOM 0 H LEU A 77 14.655 -11.295 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 77 16.430 -13.223 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.206 -10.525 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.505 -10.635 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 77 18.412 -10.359 -8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.892 -12.327 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.685 -11.744 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.812 -13.193 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.080 -12.059 -10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.929 -12.915 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.548 -11.280 -9.850 1.00 0.00 H new ATOM 1305 N LEU A 78 16.987 -12.294 -4.247 1.00 0.00 N ATOM 1306 CA LEU A 78 17.691 -12.658 -3.022 1.00 0.00 C ATOM 1307 C LEU A 78 17.363 -14.090 -2.610 1.00 0.00 C ATOM 1308 O LEU A 78 18.078 -14.696 -1.812 1.00 0.00 O ATOM 1309 CB LEU A 78 17.323 -11.694 -1.893 1.00 0.00 C ATOM 1310 CG LEU A 78 18.133 -10.398 -1.826 1.00 0.00 C ATOM 1311 CD1 LEU A 78 17.456 -9.393 -0.907 1.00 0.00 C ATOM 1312 CD2 LEU A 78 19.553 -10.680 -1.358 1.00 0.00 C ATOM 0 H LEU A 78 16.327 -11.523 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 78 18.762 -12.591 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 16.269 -11.435 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 78 17.435 -12.218 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 78 18.181 -9.969 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.046 -8.477 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.459 -9.168 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.377 -9.813 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 20.114 -9.747 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.526 -11.132 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.037 -11.364 -2.055 1.00 0.00 H new ATOM 1324 N HIS A 79 16.279 -14.625 -3.162 1.00 0.00 N ATOM 1325 CA HIS A 79 15.858 -15.987 -2.854 1.00 0.00 C ATOM 1326 C HIS A 79 16.617 -16.997 -3.710 1.00 0.00 C ATOM 1327 O HIS A 79 17.047 -18.041 -3.220 1.00 0.00 O ATOM 1328 CB HIS A 79 14.353 -16.141 -3.078 1.00 0.00 C ATOM 1329 CG HIS A 79 13.665 -16.924 -2.003 1.00 0.00 C ATOM 1330 ND1 HIS A 79 13.791 -16.633 -0.661 1.00 0.00 N ATOM 1331 CD2 HIS A 79 12.837 -17.993 -2.078 1.00 0.00 C ATOM 1332 CE1 HIS A 79 13.073 -17.490 0.043 1.00 0.00 C ATOM 1333 NE2 HIS A 79 12.484 -18.325 -0.793 1.00 0.00 N ATOM 0 H HIS A 79 15.676 -14.137 -3.824 1.00 0.00 H new ATOM 0 HA HIS A 79 16.084 -16.183 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.900 -15.152 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.185 -16.631 -4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.514 -18.491 -2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.983 -17.505 1.119 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.867 -19.092 -0.527 1.00 0.00 H new ATOM 1341 N ALA A 80 16.778 -16.678 -4.990 1.00 0.00 N ATOM 1342 CA ALA A 80 17.487 -17.556 -5.912 1.00 0.00 C ATOM 1343 C ALA A 80 18.848 -17.957 -5.353 1.00 0.00 C ATOM 1344 O ALA A 80 19.216 -19.131 -5.371 1.00 0.00 O ATOM 1345 CB ALA A 80 17.649 -16.880 -7.266 1.00 0.00 C ATOM 0 H ALA A 80 16.427 -15.818 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 80 16.895 -18.462 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.180 -17.547 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.666 -16.651 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.217 -15.957 -7.146 1.00 0.00 H new ATOM 1351 N ALA A 81 19.591 -16.974 -4.857 1.00 0.00 N ATOM 1352 CA ALA A 81 20.911 -17.224 -4.291 1.00 0.00 C ATOM 1353 C ALA A 81 20.856 -18.325 -3.236 1.00 0.00 C ATOM 1354 O ALA A 81 21.723 -19.198 -3.191 1.00 0.00 O ATOM 1355 CB ALA A 81 21.481 -15.946 -3.694 1.00 0.00 C ATOM 0 H ALA A 81 19.301 -15.996 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 81 21.566 -17.559 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.467 -16.148 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.566 -15.187 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.819 -15.586 -2.906 1.00 0.00 H new ATOM 1361 N ARG A 82 19.833 -18.276 -2.390 1.00 0.00 N ATOM 1362 CA ARG A 82 19.666 -19.268 -1.335 1.00 0.00 C ATOM 1363 C ARG A 82 19.664 -20.681 -1.912 1.00 0.00 C ATOM 1364 O ARG A 82 20.563 -21.477 -1.637 1.00 0.00 O ATOM 1365 CB ARG A 82 18.366 -19.017 -0.569 1.00 0.00 C ATOM 1366 CG ARG A 82 18.216 -17.587 -0.076 1.00 0.00 C ATOM 1367 CD ARG A 82 19.380 -17.179 0.813 1.00 0.00 C ATOM 1368 NE ARG A 82 19.665 -18.182 1.835 1.00 0.00 N ATOM 1369 CZ ARG A 82 18.955 -18.318 2.950 1.00 0.00 C ATOM 1370 NH1 ARG A 82 17.924 -17.519 3.184 1.00 0.00 N ATOM 1371 NH2 ARG A 82 19.277 -19.255 3.832 1.00 0.00 N ATOM 0 H ARG A 82 19.107 -17.560 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 82 20.508 -19.175 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.522 -19.261 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.321 -19.693 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.154 -16.911 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.282 -17.488 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.268 -17.024 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.154 -16.227 1.293 1.00 0.00 H new ATOM 0 HE ARG A 82 20.452 -18.813 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.674 -16.798 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.380 -17.625 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.070 -19.872 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.732 -19.359 4.688 1.00 0.00 H new ATOM 1385 N LEU A 83 18.649 -20.986 -2.712 1.00 0.00 N ATOM 1386 CA LEU A 83 18.529 -22.303 -3.328 1.00 0.00 C ATOM 1387 C LEU A 83 19.772 -22.636 -4.147 1.00 0.00 C ATOM 1388 O LEU A 83 20.223 -23.780 -4.171 1.00 0.00 O ATOM 1389 CB LEU A 83 17.287 -22.360 -4.219 1.00 0.00 C ATOM 1390 CG LEU A 83 15.974 -22.710 -3.518 1.00 0.00 C ATOM 1391 CD1 LEU A 83 15.921 -24.195 -3.195 1.00 0.00 C ATOM 1392 CD2 LEU A 83 15.807 -21.881 -2.253 1.00 0.00 C ATOM 0 H LEU A 83 17.897 -20.339 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 83 18.432 -23.042 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.169 -21.392 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.462 -23.093 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 83 15.151 -22.476 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.980 -24.426 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.994 -24.771 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.752 -24.455 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.867 -22.144 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.635 -22.083 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.799 -20.822 -2.510 1.00 0.00 H new ATOM 1404 N ALA A 84 20.322 -21.627 -4.816 1.00 0.00 N ATOM 1405 CA ALA A 84 21.515 -21.812 -5.632 1.00 0.00 C ATOM 1406 C ALA A 84 22.754 -21.988 -4.762 1.00 0.00 C ATOM 1407 O ALA A 84 23.836 -22.300 -5.259 1.00 0.00 O ATOM 1408 CB ALA A 84 21.694 -20.634 -6.579 1.00 0.00 C ATOM 0 H ALA A 84 19.960 -20.673 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 84 21.386 -22.720 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.589 -20.785 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.825 -20.557 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.797 -19.715 -6.002 1.00 0.00 H new ATOM 1414 N LYS A 85 22.590 -21.784 -3.459 1.00 0.00 N ATOM 1415 CA LYS A 85 23.695 -21.920 -2.518 1.00 0.00 C ATOM 1416 C LYS A 85 24.799 -20.913 -2.825 1.00 0.00 C ATOM 1417 O LYS A 85 25.934 -21.066 -2.373 1.00 0.00 O ATOM 1418 CB LYS A 85 24.259 -23.342 -2.564 1.00 0.00 C ATOM 1419 CG LYS A 85 23.247 -24.410 -2.188 1.00 0.00 C ATOM 1420 CD LYS A 85 22.686 -25.104 -3.418 1.00 0.00 C ATOM 1421 CE LYS A 85 23.670 -26.115 -3.985 1.00 0.00 C ATOM 1422 NZ LYS A 85 23.839 -27.290 -3.086 1.00 0.00 N ATOM 0 H LYS A 85 21.702 -21.524 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 85 23.313 -21.719 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.631 -23.544 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.112 -23.408 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.718 -25.146 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.433 -23.958 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.754 -25.607 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.447 -24.361 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.322 -26.452 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.636 -25.634 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.259 -28.078 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.464 -27.035 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.912 -27.579 -2.715 1.00 0.00 H new ATOM 1436 N GLN A 86 24.459 -19.885 -3.595 1.00 0.00 N ATOM 1437 CA GLN A 86 25.422 -18.854 -3.962 1.00 0.00 C ATOM 1438 C GLN A 86 24.990 -17.491 -3.430 1.00 0.00 C ATOM 1439 O GLN A 86 23.976 -17.376 -2.743 1.00 0.00 O ATOM 1440 CB GLN A 86 25.583 -18.793 -5.482 1.00 0.00 C ATOM 1441 CG GLN A 86 25.475 -20.150 -6.160 1.00 0.00 C ATOM 1442 CD GLN A 86 26.428 -20.295 -7.329 1.00 0.00 C ATOM 1443 OE1 GLN A 86 27.634 -20.461 -7.145 1.00 0.00 O ATOM 1444 NE2 GLN A 86 25.891 -20.233 -8.542 1.00 0.00 N ATOM 0 H GLN A 86 23.524 -19.744 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 86 26.381 -19.112 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 86 24.823 -18.129 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.552 -18.354 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 86 25.679 -20.934 -5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 86 24.453 -20.297 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 86 24.886 -20.094 -8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 86 26.483 -20.324 -9.367 1.00 0.00 H new ATOM 1453 N ASN A 87 25.766 -16.462 -3.752 1.00 0.00 N ATOM 1454 CA ASN A 87 25.464 -15.107 -3.305 1.00 0.00 C ATOM 1455 C ASN A 87 24.356 -14.489 -4.153 1.00 0.00 C ATOM 1456 O ASN A 87 24.146 -14.858 -5.309 1.00 0.00 O ATOM 1457 CB ASN A 87 26.719 -14.234 -3.371 1.00 0.00 C ATOM 1458 CG ASN A 87 27.369 -14.053 -2.014 1.00 0.00 C ATOM 1459 OD1 ASN A 87 27.079 -14.789 -1.071 1.00 0.00 O ATOM 1460 ND2 ASN A 87 28.255 -13.069 -1.908 1.00 0.00 N ATOM 0 H ASN A 87 26.609 -16.540 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 87 25.120 -15.160 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.436 -14.685 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.458 -13.258 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.725 -12.900 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 87 28.465 -12.483 -2.716 1.00 0.00 H new ATOM 1467 N PRO A 88 23.630 -13.526 -3.567 1.00 0.00 N ATOM 1468 CA PRO A 88 22.532 -12.836 -4.250 1.00 0.00 C ATOM 1469 C PRO A 88 23.027 -11.920 -5.364 1.00 0.00 C ATOM 1470 O PRO A 88 22.352 -11.740 -6.377 1.00 0.00 O ATOM 1471 CB PRO A 88 21.879 -12.016 -3.134 1.00 0.00 C ATOM 1472 CG PRO A 88 22.965 -11.804 -2.135 1.00 0.00 C ATOM 1473 CD PRO A 88 23.825 -13.036 -2.192 1.00 0.00 C ATOM 0 HA PRO A 88 21.852 -13.535 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 88 21.497 -11.067 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.035 -12.547 -2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 88 23.545 -10.912 -2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.554 -11.661 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.871 -12.805 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.516 -13.776 -1.454 1.00 0.00 H new ATOM 1481 N ALA A 89 24.209 -11.345 -5.170 1.00 0.00 N ATOM 1482 CA ALA A 89 24.795 -10.450 -6.160 1.00 0.00 C ATOM 1483 C ALA A 89 25.719 -11.209 -7.107 1.00 0.00 C ATOM 1484 O ALA A 89 26.007 -10.746 -8.210 1.00 0.00 O ATOM 1485 CB ALA A 89 25.551 -9.324 -5.471 1.00 0.00 C ATOM 0 H ALA A 89 24.780 -11.483 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 89 23.986 -10.021 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 89 25.984 -8.663 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 89 24.865 -8.758 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 89 26.347 -9.743 -4.855 1.00 0.00 H new ATOM 1491 N GLN A 90 26.180 -12.375 -6.667 1.00 0.00 N ATOM 1492 CA GLN A 90 27.073 -13.197 -7.476 1.00 0.00 C ATOM 1493 C GLN A 90 26.296 -14.281 -8.215 1.00 0.00 C ATOM 1494 O GLN A 90 26.829 -14.946 -9.103 1.00 0.00 O ATOM 1495 CB GLN A 90 28.151 -13.834 -6.598 1.00 0.00 C ATOM 1496 CG GLN A 90 28.777 -12.867 -5.605 1.00 0.00 C ATOM 1497 CD GLN A 90 29.480 -11.708 -6.283 1.00 0.00 C ATOM 1498 OE1 GLN A 90 29.194 -10.544 -6.005 1.00 0.00 O ATOM 1499 NE2 GLN A 90 30.408 -12.022 -7.180 1.00 0.00 N ATOM 0 H GLN A 90 25.950 -12.772 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 90 27.550 -12.551 -8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.716 -14.671 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.934 -14.243 -7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 90 28.002 -12.480 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 90 29.491 -13.405 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 90 30.614 -13.001 -7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 90 30.915 -11.284 -7.669 1.00 0.00 H new ATOM 1508 N TYR A 91 25.033 -14.456 -7.841 1.00 0.00 N ATOM 1509 CA TYR A 91 24.183 -15.462 -8.465 1.00 0.00 C ATOM 1510 C TYR A 91 24.231 -15.347 -9.986 1.00 0.00 C ATOM 1511 O TYR A 91 24.487 -16.328 -10.686 1.00 0.00 O ATOM 1512 CB TYR A 91 22.741 -15.315 -7.977 1.00 0.00 C ATOM 1513 CG TYR A 91 21.756 -16.183 -8.728 1.00 0.00 C ATOM 1514 CD1 TYR A 91 22.057 -17.505 -9.034 1.00 0.00 C ATOM 1515 CD2 TYR A 91 20.524 -15.682 -9.130 1.00 0.00 C ATOM 1516 CE1 TYR A 91 21.161 -18.301 -9.720 1.00 0.00 C ATOM 1517 CE2 TYR A 91 19.621 -16.471 -9.816 1.00 0.00 C ATOM 1518 CZ TYR A 91 19.944 -17.780 -10.109 1.00 0.00 C ATOM 1519 OH TYR A 91 19.048 -18.570 -10.791 1.00 0.00 O ATOM 0 H TYR A 91 24.576 -13.914 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 91 24.557 -16.445 -8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.698 -15.565 -6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.439 -14.272 -8.071 1.00 0.00 H new ATOM 0 HD1 TYR A 91 23.008 -17.917 -8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.268 -14.658 -8.902 1.00 0.00 H new ATOM 0 HE1 TYR A 91 21.412 -19.326 -9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.668 -16.065 -10.121 1.00 0.00 H new ATOM 0 HH TYR A 91 18.240 -18.052 -10.990 1.00 0.00 H new ATOM 1529 N LEU A 92 23.983 -14.144 -10.490 1.00 0.00 N ATOM 1530 CA LEU A 92 23.998 -13.899 -11.928 1.00 0.00 C ATOM 1531 C LEU A 92 25.382 -13.454 -12.390 1.00 0.00 C ATOM 1532 O LEU A 92 25.901 -13.948 -13.390 1.00 0.00 O ATOM 1533 CB LEU A 92 22.960 -12.837 -12.295 1.00 0.00 C ATOM 1534 CG LEU A 92 23.078 -12.239 -13.698 1.00 0.00 C ATOM 1535 CD1 LEU A 92 22.781 -13.292 -14.754 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.142 -11.049 -13.851 1.00 0.00 C ATOM 0 H LEU A 92 23.769 -13.322 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 92 23.749 -14.832 -12.433 1.00 0.00 H new ATOM 0 HB2 LEU A 92 21.968 -13.276 -12.191 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.027 -12.026 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 92 24.101 -11.891 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 92 22.870 -12.848 -15.746 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.492 -14.113 -14.659 1.00 0.00 H new ATOM 0 HD13 LEU A 92 21.768 -13.671 -14.615 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.239 -10.636 -14.855 1.00 0.00 H new ATOM 0 HD22 LEU A 92 21.114 -11.372 -13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 92 22.402 -10.285 -13.118 1.00 0.00 H new