USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 759 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 52 LYS NZ :NH3+ -160:sc= 0.302 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.294 K(o=0.0081,f=-3.8) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -1.26 K(o=-1.9,f=-1.3) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -137:sc= -0.67 (180deg=-0.0375) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -53:sc= 0.742 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.091 K(o=-0.091,f=-1.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.585 K(o=-0.58,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= 0.275 K(o=0.27,f=-5.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 82:sc= 0.187 USER MOD Single : A 46 GLN : amide:sc=-0.00882 K(o=-0.0088,f=-0.86) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0768 K(o=-0.077,f=-1.5) USER MOD Single : A 79 THR OG1 : rot 64:sc= -0.438 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 154:sc= -0.758 (180deg=-3.48!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= -0.791 (180deg=-2.41!) USER MOD Single : A 90 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 98 GLN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.501 -11.912 1.760 1.00 0.00 N ATOM 2 CA GLY A 1 15.403 -13.087 0.914 1.00 0.00 C ATOM 3 C GLY A 1 14.027 -13.246 0.300 1.00 0.00 C ATOM 4 O GLY A 1 13.669 -12.528 -0.634 1.00 0.00 O ATOM 0 H1 GLY A 1 16.461 -11.848 2.156 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.302 -11.061 1.197 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.811 -11.984 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.147 -13.022 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.640 -13.974 1.501 1.00 0.00 H new ATOM 8 N SER A 2 13.253 -14.192 0.823 1.00 0.00 N ATOM 9 CA SER A 2 11.909 -14.447 0.317 1.00 0.00 C ATOM 10 C SER A 2 10.997 -13.250 0.568 1.00 0.00 C ATOM 11 O SER A 2 10.430 -13.105 1.650 1.00 0.00 O ATOM 12 CB SER A 2 11.322 -15.697 0.975 1.00 0.00 C ATOM 13 OG SER A 2 10.092 -16.061 0.373 1.00 0.00 O ATOM 0 H SER A 2 13.534 -14.794 1.597 1.00 0.00 H new ATOM 0 HA SER A 2 11.978 -14.610 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.029 -16.522 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.170 -15.514 2.039 1.00 0.00 H new ATOM 0 HG SER A 2 9.738 -16.863 0.811 1.00 0.00 H new ATOM 19 N SER A 3 10.862 -12.395 -0.441 1.00 0.00 N ATOM 20 CA SER A 3 10.023 -11.208 -0.329 1.00 0.00 C ATOM 21 C SER A 3 8.677 -11.428 -1.012 1.00 0.00 C ATOM 22 O SER A 3 8.603 -11.570 -2.232 1.00 0.00 O ATOM 23 CB SER A 3 10.729 -9.999 -0.946 1.00 0.00 C ATOM 24 OG SER A 3 11.831 -9.593 -0.153 1.00 0.00 O ATOM 0 H SER A 3 11.323 -12.502 -1.345 1.00 0.00 H new ATOM 0 HA SER A 3 9.847 -11.016 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.072 -10.247 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.024 -9.173 -1.045 1.00 0.00 H new ATOM 0 HG SER A 3 12.266 -8.820 -0.569 1.00 0.00 H new ATOM 30 N GLY A 4 7.613 -11.457 -0.215 1.00 0.00 N ATOM 31 CA GLY A 4 6.283 -11.660 -0.760 1.00 0.00 C ATOM 32 C GLY A 4 5.496 -10.369 -0.866 1.00 0.00 C ATOM 33 O GLY A 4 4.986 -9.861 0.132 1.00 0.00 O ATOM 0 H GLY A 4 7.648 -11.344 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.364 -12.115 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.739 -12.363 -0.129 1.00 0.00 H new ATOM 37 N SER A 5 5.399 -9.836 -2.080 1.00 0.00 N ATOM 38 CA SER A 5 4.673 -8.593 -2.313 1.00 0.00 C ATOM 39 C SER A 5 3.659 -8.759 -3.441 1.00 0.00 C ATOM 40 O SER A 5 3.716 -9.722 -4.205 1.00 0.00 O ATOM 41 CB SER A 5 5.648 -7.464 -2.649 1.00 0.00 C ATOM 42 OG SER A 5 6.251 -6.943 -1.477 1.00 0.00 O ATOM 0 H SER A 5 5.814 -10.245 -2.917 1.00 0.00 H new ATOM 0 HA SER A 5 4.135 -8.338 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.419 -7.835 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.120 -6.668 -3.174 1.00 0.00 H new ATOM 0 HG SER A 5 6.871 -6.224 -1.720 1.00 0.00 H new ATOM 48 N SER A 6 2.732 -7.811 -3.539 1.00 0.00 N ATOM 49 CA SER A 6 1.703 -7.853 -4.571 1.00 0.00 C ATOM 50 C SER A 6 1.292 -9.291 -4.871 1.00 0.00 C ATOM 51 O SER A 6 1.115 -9.670 -6.028 1.00 0.00 O ATOM 52 CB SER A 6 2.205 -7.177 -5.849 1.00 0.00 C ATOM 53 OG SER A 6 1.192 -7.145 -6.840 1.00 0.00 O ATOM 0 H SER A 6 2.673 -7.005 -2.917 1.00 0.00 H new ATOM 0 HA SER A 6 0.831 -7.314 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.530 -6.161 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.074 -7.713 -6.230 1.00 0.00 H new ATOM 0 HG SER A 6 0.841 -8.050 -6.979 1.00 0.00 H new ATOM 59 N GLY A 7 1.142 -10.089 -3.818 1.00 0.00 N ATOM 60 CA GLY A 7 0.753 -11.477 -3.988 1.00 0.00 C ATOM 61 C GLY A 7 -0.517 -11.819 -3.236 1.00 0.00 C ATOM 62 O GLY A 7 -1.614 -11.739 -3.789 1.00 0.00 O ATOM 0 H GLY A 7 1.283 -9.799 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.610 -11.684 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.561 -12.122 -3.643 1.00 0.00 H new ATOM 66 N GLU A 8 -0.370 -12.204 -1.972 1.00 0.00 N ATOM 67 CA GLU A 8 -1.515 -12.563 -1.144 1.00 0.00 C ATOM 68 C GLU A 8 -2.055 -11.342 -0.404 1.00 0.00 C ATOM 69 O GLU A 8 -1.366 -10.332 -0.263 1.00 0.00 O ATOM 70 CB GLU A 8 -1.128 -13.651 -0.141 1.00 0.00 C ATOM 71 CG GLU A 8 -2.318 -14.399 0.436 1.00 0.00 C ATOM 72 CD GLU A 8 -3.130 -15.113 -0.627 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.612 -16.086 -1.213 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.282 -14.699 -0.872 1.00 0.00 O ATOM 0 H GLU A 8 0.531 -12.275 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.298 -12.946 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.464 -14.364 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.565 -13.198 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.965 -15.126 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.960 -13.697 0.968 1.00 0.00 H new ATOM 81 N LYS A 9 -3.294 -11.443 0.066 1.00 0.00 N ATOM 82 CA LYS A 9 -3.928 -10.349 0.792 1.00 0.00 C ATOM 83 C LYS A 9 -3.281 -10.157 2.160 1.00 0.00 C ATOM 84 O LYS A 9 -2.570 -11.034 2.649 1.00 0.00 O ATOM 85 CB LYS A 9 -5.425 -10.621 0.958 1.00 0.00 C ATOM 86 CG LYS A 9 -6.219 -10.456 -0.327 1.00 0.00 C ATOM 87 CD LYS A 9 -7.699 -10.255 -0.046 1.00 0.00 C ATOM 88 CE LYS A 9 -8.544 -10.534 -1.280 1.00 0.00 C ATOM 89 NZ LYS A 9 -9.988 -10.671 -0.944 1.00 0.00 N ATOM 0 H LYS A 9 -3.879 -12.272 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.792 -9.435 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.562 -11.635 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.827 -9.945 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.835 -9.603 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.083 -11.336 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.009 -10.914 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.871 -9.233 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.414 -9.726 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.195 -11.448 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.530 -10.860 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.116 -11.458 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.328 -9.790 -0.509 1.00 0.00 H new ATOM 103 N ALA A 10 -3.534 -9.005 2.772 1.00 0.00 N ATOM 104 CA ALA A 10 -2.979 -8.700 4.085 1.00 0.00 C ATOM 105 C ALA A 10 -4.054 -8.770 5.165 1.00 0.00 C ATOM 106 O ALA A 10 -5.223 -8.488 4.908 1.00 0.00 O ATOM 107 CB ALA A 10 -2.327 -7.325 4.075 1.00 0.00 C ATOM 0 H ALA A 10 -4.120 -8.268 2.380 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.221 -9.448 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.917 -7.110 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.525 -7.308 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.072 -6.571 3.819 1.00 0.00 H new ATOM 113 N GLU A 11 -3.648 -9.148 6.373 1.00 0.00 N ATOM 114 CA GLU A 11 -4.578 -9.257 7.491 1.00 0.00 C ATOM 115 C GLU A 11 -4.132 -8.378 8.657 1.00 0.00 C ATOM 116 O GLU A 11 -4.868 -8.193 9.626 1.00 0.00 O ATOM 117 CB GLU A 11 -4.691 -10.712 7.950 1.00 0.00 C ATOM 118 CG GLU A 11 -3.392 -11.283 8.492 1.00 0.00 C ATOM 119 CD GLU A 11 -2.486 -11.814 7.398 1.00 0.00 C ATOM 120 OE1 GLU A 11 -2.946 -12.662 6.606 1.00 0.00 O ATOM 121 OE2 GLU A 11 -1.316 -11.380 7.335 1.00 0.00 O ATOM 0 H GLU A 11 -2.682 -9.384 6.602 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.555 -8.914 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.458 -10.782 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.025 -11.323 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.865 -10.510 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.617 -12.086 9.193 1.00 0.00 H new ATOM 128 N ASP A 12 -2.921 -7.840 8.555 1.00 0.00 N ATOM 129 CA ASP A 12 -2.376 -6.981 9.599 1.00 0.00 C ATOM 130 C ASP A 12 -2.355 -5.524 9.148 1.00 0.00 C ATOM 131 O ASP A 12 -1.328 -5.019 8.693 1.00 0.00 O ATOM 132 CB ASP A 12 -0.964 -7.432 9.975 1.00 0.00 C ATOM 133 CG ASP A 12 -0.967 -8.548 11.001 1.00 0.00 C ATOM 134 OD1 ASP A 12 -1.410 -9.665 10.662 1.00 0.00 O ATOM 135 OD2 ASP A 12 -0.524 -8.304 12.143 1.00 0.00 O ATOM 0 H ASP A 12 -2.299 -7.984 7.760 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.020 -7.062 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.442 -7.768 9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.407 -6.582 10.369 1.00 0.00 H new ATOM 140 N CYS A 13 -3.495 -4.854 9.275 1.00 0.00 N ATOM 141 CA CYS A 13 -3.608 -3.454 8.879 1.00 0.00 C ATOM 142 C CYS A 13 -2.366 -2.671 9.290 1.00 0.00 C ATOM 143 O CYS A 13 -1.814 -2.885 10.370 1.00 0.00 O ATOM 144 CB CYS A 13 -4.854 -2.825 9.504 1.00 0.00 C ATOM 145 SG CYS A 13 -6.351 -3.003 8.505 1.00 0.00 S ATOM 0 H CYS A 13 -4.354 -5.257 9.649 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.696 -3.415 7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.026 -3.278 10.480 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.667 -1.765 9.673 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.351 -2.442 9.118 1.00 0.00 H new ATOM 151 N TRP A 14 -1.931 -1.764 8.423 1.00 0.00 N ATOM 152 CA TRP A 14 -0.752 -0.949 8.696 1.00 0.00 C ATOM 153 C TRP A 14 -1.047 0.092 9.769 1.00 0.00 C ATOM 154 O TRP A 14 -0.198 0.387 10.610 1.00 0.00 O ATOM 155 CB TRP A 14 -0.276 -0.260 7.416 1.00 0.00 C ATOM 156 CG TRP A 14 -1.380 0.410 6.656 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.066 -0.096 5.589 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.925 1.711 6.905 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.003 0.812 5.159 1.00 0.00 N ATOM 160 CE2 TRP A 14 -2.938 1.928 5.950 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.657 2.712 7.842 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.680 3.105 5.907 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.394 3.881 7.798 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.396 4.069 6.837 1.00 0.00 C ATOM 0 H TRP A 14 -2.376 -1.574 7.525 1.00 0.00 H new ATOM 0 HA TRP A 14 0.037 -1.606 9.061 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.482 0.481 7.671 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.203 -0.997 6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -1.897 -1.067 5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.644 0.677 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.888 2.575 8.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.452 3.253 5.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.194 4.662 8.516 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.956 4.993 6.830 1.00 0.00 H new ATOM 175 N GLU A 15 -2.255 0.646 9.735 1.00 0.00 N ATOM 176 CA GLU A 15 -2.660 1.656 10.706 1.00 0.00 C ATOM 177 C GLU A 15 -2.250 1.248 12.118 1.00 0.00 C ATOM 178 O GLU A 15 -1.990 2.097 12.971 1.00 0.00 O ATOM 179 CB GLU A 15 -4.173 1.875 10.646 1.00 0.00 C ATOM 180 CG GLU A 15 -4.643 2.530 9.357 1.00 0.00 C ATOM 181 CD GLU A 15 -6.154 2.576 9.243 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.826 2.633 10.294 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.664 2.554 8.103 1.00 0.00 O ATOM 0 H GLU A 15 -2.970 0.413 9.046 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.155 2.588 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.675 0.914 10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.476 2.495 11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.247 3.544 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.235 1.984 8.507 1.00 0.00 H new ATOM 190 N LEU A 16 -2.196 -0.058 12.358 1.00 0.00 N ATOM 191 CA LEU A 16 -1.818 -0.580 13.666 1.00 0.00 C ATOM 192 C LEU A 16 -0.368 -0.238 13.992 1.00 0.00 C ATOM 193 O LEU A 16 -0.037 0.082 15.133 1.00 0.00 O ATOM 194 CB LEU A 16 -2.018 -2.096 13.709 1.00 0.00 C ATOM 195 CG LEU A 16 -3.464 -2.585 13.628 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.508 -4.069 13.299 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.196 -2.304 14.932 1.00 0.00 C ATOM 0 H LEU A 16 -2.409 -0.774 11.664 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.459 -0.113 14.414 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.459 -2.540 12.885 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.579 -2.474 14.632 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.967 -2.041 12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.545 -4.399 13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.022 -4.243 12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.988 -4.630 14.076 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.224 -2.659 14.856 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.693 -2.820 15.750 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.196 -1.231 15.125 1.00 0.00 H new ATOM 209 N GLN A 17 0.492 -0.304 12.980 1.00 0.00 N ATOM 210 CA GLN A 17 1.907 0.001 13.159 1.00 0.00 C ATOM 211 C GLN A 17 2.142 1.507 13.164 1.00 0.00 C ATOM 212 O GLN A 17 2.943 2.018 13.949 1.00 0.00 O ATOM 213 CB GLN A 17 2.735 -0.654 12.052 1.00 0.00 C ATOM 214 CG GLN A 17 2.691 -2.173 12.077 1.00 0.00 C ATOM 215 CD GLN A 17 3.758 -2.773 12.971 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.821 -2.184 13.171 1.00 0.00 O ATOM 217 NE2 GLN A 17 3.481 -3.953 13.514 1.00 0.00 N ATOM 0 H GLN A 17 0.234 -0.566 12.029 1.00 0.00 H new ATOM 0 HA GLN A 17 2.221 -0.400 14.123 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.374 -0.304 11.085 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.771 -0.327 12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.709 -2.499 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.816 -2.553 11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.588 -4.406 13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.162 -4.406 14.124 1.00 0.00 H new ATOM 226 N ILE A 18 1.441 2.214 12.284 1.00 0.00 N ATOM 227 CA ILE A 18 1.574 3.662 12.188 1.00 0.00 C ATOM 228 C ILE A 18 0.956 4.352 13.399 1.00 0.00 C ATOM 229 O ILE A 18 -0.163 4.037 13.802 1.00 0.00 O ATOM 230 CB ILE A 18 0.911 4.205 10.908 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.573 5.516 10.481 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.581 4.405 11.129 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.902 6.173 9.295 1.00 0.00 C ATOM 0 H ILE A 18 0.775 1.807 11.627 1.00 0.00 H new ATOM 0 HA ILE A 18 2.642 3.879 12.154 1.00 0.00 H new ATOM 0 HB ILE A 18 1.046 3.476 10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.565 6.209 11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.618 5.323 10.237 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.036 4.789 10.216 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.041 3.452 11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.737 5.117 11.939 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.424 7.097 9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.933 5.498 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.136 6.397 9.542 1.00 0.00 H new ATOM 245 N SER A 19 1.693 5.298 13.974 1.00 0.00 N ATOM 246 CA SER A 19 1.218 6.033 15.140 1.00 0.00 C ATOM 247 C SER A 19 -0.178 6.598 14.896 1.00 0.00 C ATOM 248 O SER A 19 -0.618 6.764 13.758 1.00 0.00 O ATOM 249 CB SER A 19 2.187 7.166 15.484 1.00 0.00 C ATOM 250 OG SER A 19 3.241 6.703 16.310 1.00 0.00 O ATOM 0 H SER A 19 2.621 5.573 13.651 1.00 0.00 H new ATOM 0 HA SER A 19 1.168 5.340 15.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.598 7.588 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.649 7.967 15.991 1.00 0.00 H new ATOM 0 HG SER A 19 3.847 7.446 16.514 1.00 0.00 H new ATOM 256 N PRO A 20 -0.893 6.900 15.990 1.00 0.00 N ATOM 257 CA PRO A 20 -2.249 7.452 15.922 1.00 0.00 C ATOM 258 C PRO A 20 -2.267 8.882 15.394 1.00 0.00 C ATOM 259 O PRO A 20 -3.257 9.326 14.812 1.00 0.00 O ATOM 260 CB PRO A 20 -2.722 7.412 17.377 1.00 0.00 C ATOM 261 CG PRO A 20 -1.470 7.459 18.183 1.00 0.00 C ATOM 262 CD PRO A 20 -0.431 6.728 17.378 1.00 0.00 C ATOM 0 HA PRO A 20 -2.884 6.889 15.238 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.372 8.257 17.605 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.292 6.506 17.583 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.165 8.489 18.370 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.614 6.987 19.155 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.563 7.150 17.526 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.375 5.675 17.655 1.00 0.00 H new ATOM 270 N GLU A 21 -1.167 9.599 15.601 1.00 0.00 N ATOM 271 CA GLU A 21 -1.058 10.980 15.146 1.00 0.00 C ATOM 272 C GLU A 21 -0.691 11.038 13.666 1.00 0.00 C ATOM 273 O GLU A 21 -1.028 11.995 12.968 1.00 0.00 O ATOM 274 CB GLU A 21 -0.013 11.732 15.972 1.00 0.00 C ATOM 275 CG GLU A 21 1.402 11.211 15.784 1.00 0.00 C ATOM 276 CD GLU A 21 2.296 11.506 16.973 1.00 0.00 C ATOM 277 OE1 GLU A 21 2.643 12.688 17.175 1.00 0.00 O ATOM 278 OE2 GLU A 21 2.647 10.555 17.701 1.00 0.00 O ATOM 0 H GLU A 21 -0.339 9.246 16.081 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.029 11.457 15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.041 12.788 15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.279 11.664 17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.369 10.134 15.617 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.834 11.659 14.889 1.00 0.00 H new ATOM 285 N LEU A 22 0.004 10.008 13.195 1.00 0.00 N ATOM 286 CA LEU A 22 0.419 9.941 11.798 1.00 0.00 C ATOM 287 C LEU A 22 -0.774 9.661 10.888 1.00 0.00 C ATOM 288 O LEU A 22 -0.899 10.248 9.813 1.00 0.00 O ATOM 289 CB LEU A 22 1.481 8.855 11.613 1.00 0.00 C ATOM 290 CG LEU A 22 2.931 9.293 11.825 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.437 10.066 10.617 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.056 10.132 13.088 1.00 0.00 C ATOM 0 H LEU A 22 0.292 9.209 13.759 1.00 0.00 H new ATOM 0 HA LEU A 22 0.843 10.907 11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.264 8.040 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.388 8.451 10.605 1.00 0.00 H new ATOM 0 HG LEU A 22 3.546 8.401 11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.470 10.369 10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.385 9.432 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.819 10.951 10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.094 10.435 13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.428 11.019 12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.735 9.545 13.948 1.00 0.00 H new ATOM 304 N LEU A 23 -1.649 8.763 11.328 1.00 0.00 N ATOM 305 CA LEU A 23 -2.833 8.407 10.555 1.00 0.00 C ATOM 306 C LEU A 23 -3.688 9.638 10.270 1.00 0.00 C ATOM 307 O LEU A 23 -3.950 9.970 9.114 1.00 0.00 O ATOM 308 CB LEU A 23 -3.660 7.361 11.304 1.00 0.00 C ATOM 309 CG LEU A 23 -4.970 6.938 10.638 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.694 6.224 9.324 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.779 6.048 11.570 1.00 0.00 C ATOM 0 H LEU A 23 -1.560 8.269 12.216 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.503 7.988 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.044 6.473 11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.889 7.750 12.296 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.553 7.834 10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.638 5.930 8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.156 6.893 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.090 5.336 9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.708 5.757 11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.202 5.156 11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.008 6.593 12.486 1.00 0.00 H new ATOM 323 N ALA A 24 -4.117 10.313 11.332 1.00 0.00 N ATOM 324 CA ALA A 24 -4.938 11.510 11.196 1.00 0.00 C ATOM 325 C ALA A 24 -4.202 12.594 10.416 1.00 0.00 C ATOM 326 O ALA A 24 -4.764 13.211 9.511 1.00 0.00 O ATOM 327 CB ALA A 24 -5.347 12.027 12.567 1.00 0.00 C ATOM 0 H ALA A 24 -3.909 10.051 12.296 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.836 11.245 10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.960 12.921 12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.919 11.260 13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.455 12.271 13.145 1.00 0.00 H new ATOM 333 N HIS A 25 -2.943 12.823 10.775 1.00 0.00 N ATOM 334 CA HIS A 25 -2.130 13.834 10.108 1.00 0.00 C ATOM 335 C HIS A 25 -2.041 13.559 8.610 1.00 0.00 C ATOM 336 O HIS A 25 -2.079 14.481 7.796 1.00 0.00 O ATOM 337 CB HIS A 25 -0.727 13.874 10.716 1.00 0.00 C ATOM 338 CG HIS A 25 0.324 14.357 9.765 1.00 0.00 C ATOM 339 ND1 HIS A 25 0.195 15.512 9.024 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.529 13.834 9.438 1.00 0.00 C ATOM 341 CE1 HIS A 25 1.274 15.678 8.280 1.00 0.00 C ATOM 342 NE2 HIS A 25 2.100 14.674 8.513 1.00 0.00 N ATOM 0 H HIS A 25 -2.464 12.323 11.524 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.608 14.803 10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.738 14.522 11.592 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.461 12.875 11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.961 12.926 9.831 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.451 16.496 7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.013 14.544 8.077 1.00 0.00 H new ATOM 351 N GLY A 26 -1.920 12.284 8.254 1.00 0.00 N ATOM 352 CA GLY A 26 -1.826 11.910 6.855 1.00 0.00 C ATOM 353 C GLY A 26 -3.153 12.033 6.131 1.00 0.00 C ATOM 354 O GLY A 26 -3.221 12.590 5.035 1.00 0.00 O ATOM 0 H GLY A 26 -1.885 11.503 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.087 12.542 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.469 10.883 6.780 1.00 0.00 H new ATOM 358 N ARG A 27 -4.210 11.511 6.745 1.00 0.00 N ATOM 359 CA ARG A 27 -5.540 11.562 6.151 1.00 0.00 C ATOM 360 C ARG A 27 -5.926 12.997 5.805 1.00 0.00 C ATOM 361 O ARG A 27 -6.330 13.286 4.679 1.00 0.00 O ATOM 362 CB ARG A 27 -6.572 10.962 7.107 1.00 0.00 C ATOM 363 CG ARG A 27 -6.735 9.458 6.962 1.00 0.00 C ATOM 364 CD ARG A 27 -7.455 8.857 8.159 1.00 0.00 C ATOM 365 NE ARG A 27 -8.903 8.833 7.971 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.693 9.873 8.213 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.177 11.014 8.650 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.002 9.774 8.017 1.00 0.00 N ATOM 0 H ARG A 27 -4.171 11.048 7.653 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.523 10.977 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.281 11.190 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.536 11.442 6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.293 9.238 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.755 8.993 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.094 7.842 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.215 9.433 9.053 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.331 7.970 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.171 11.094 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.786 11.811 8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.402 8.898 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.607 10.573 8.203 1.00 0.00 H new ATOM 382 N GLN A 28 -5.799 13.891 6.780 1.00 0.00 N ATOM 383 CA GLN A 28 -6.136 15.295 6.578 1.00 0.00 C ATOM 384 C GLN A 28 -5.405 15.861 5.366 1.00 0.00 C ATOM 385 O GLN A 28 -6.020 16.444 4.473 1.00 0.00 O ATOM 386 CB GLN A 28 -5.787 16.109 7.825 1.00 0.00 C ATOM 387 CG GLN A 28 -6.504 17.448 7.898 1.00 0.00 C ATOM 388 CD GLN A 28 -7.943 17.366 7.428 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.342 18.055 6.490 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.731 16.520 8.081 1.00 0.00 N ATOM 0 H GLN A 28 -5.465 13.668 7.718 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.209 15.363 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.035 15.525 8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.711 16.281 7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.481 17.812 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.968 18.176 7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.358 15.968 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.710 16.422 7.810 1.00 0.00 H new ATOM 399 N LYS A 29 -4.088 15.686 5.340 1.00 0.00 N ATOM 400 CA LYS A 29 -3.271 16.178 4.237 1.00 0.00 C ATOM 401 C LYS A 29 -3.797 15.665 2.900 1.00 0.00 C ATOM 402 O LYS A 29 -3.770 16.379 1.897 1.00 0.00 O ATOM 403 CB LYS A 29 -1.814 15.749 4.423 1.00 0.00 C ATOM 404 CG LYS A 29 -0.982 16.747 5.209 1.00 0.00 C ATOM 405 CD LYS A 29 0.501 16.590 4.916 1.00 0.00 C ATOM 406 CE LYS A 29 1.240 17.911 5.059 1.00 0.00 C ATOM 407 NZ LYS A 29 1.137 18.459 6.440 1.00 0.00 N ATOM 0 H LYS A 29 -3.563 15.206 6.071 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.325 17.267 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.790 14.786 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.360 15.602 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.298 17.760 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.160 16.610 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.932 15.855 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.634 16.205 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.290 17.769 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.833 18.633 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.953 19.482 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.358 17.989 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.029 18.290 6.948 1.00 0.00 H new ATOM 421 N ILE A 30 -4.275 14.426 2.894 1.00 0.00 N ATOM 422 CA ILE A 30 -4.809 13.820 1.681 1.00 0.00 C ATOM 423 C ILE A 30 -6.192 14.372 1.353 1.00 0.00 C ATOM 424 O ILE A 30 -6.549 14.530 0.185 1.00 0.00 O ATOM 425 CB ILE A 30 -4.897 12.287 1.808 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.495 11.676 1.847 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.703 11.705 0.657 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.475 10.241 2.325 1.00 0.00 C ATOM 0 H ILE A 30 -4.304 13.822 3.715 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.120 14.070 0.874 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.405 12.043 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.058 11.724 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.863 12.277 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.756 10.621 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.711 12.121 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.221 11.955 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.449 9.873 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.882 10.188 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.080 9.627 1.658 1.00 0.00 H new ATOM 440 N LEU A 31 -6.967 14.664 2.391 1.00 0.00 N ATOM 441 CA LEU A 31 -8.312 15.201 2.215 1.00 0.00 C ATOM 442 C LEU A 31 -8.264 16.614 1.641 1.00 0.00 C ATOM 443 O LEU A 31 -8.804 16.877 0.567 1.00 0.00 O ATOM 444 CB LEU A 31 -9.060 15.206 3.550 1.00 0.00 C ATOM 445 CG LEU A 31 -10.526 15.637 3.496 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.387 14.530 2.910 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.019 16.022 4.883 1.00 0.00 C ATOM 0 H LEU A 31 -6.687 14.538 3.364 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.842 14.560 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.012 14.203 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.532 15.868 4.237 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.605 16.510 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.427 14.855 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.048 14.302 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.304 13.638 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.064 16.326 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.926 15.167 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.421 16.849 5.265 1.00 0.00 H new ATOM 459 N ASP A 32 -7.612 17.518 2.364 1.00 0.00 N ATOM 460 CA ASP A 32 -7.490 18.903 1.925 1.00 0.00 C ATOM 461 C ASP A 32 -7.154 18.975 0.439 1.00 0.00 C ATOM 462 O ASP A 32 -7.578 19.896 -0.260 1.00 0.00 O ATOM 463 CB ASP A 32 -6.414 19.625 2.739 1.00 0.00 C ATOM 464 CG ASP A 32 -6.671 21.116 2.844 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.854 21.514 2.850 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.689 21.883 2.920 1.00 0.00 O ATOM 0 H ASP A 32 -7.160 17.317 3.256 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.449 19.395 2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.370 19.195 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.441 19.459 2.278 1.00 0.00 H new ATOM 471 N LEU A 33 -6.391 17.999 -0.038 1.00 0.00 N ATOM 472 CA LEU A 33 -5.997 17.951 -1.442 1.00 0.00 C ATOM 473 C LEU A 33 -7.142 17.442 -2.312 1.00 0.00 C ATOM 474 O LEU A 33 -7.394 17.968 -3.397 1.00 0.00 O ATOM 475 CB LEU A 33 -4.770 17.055 -1.618 1.00 0.00 C ATOM 476 CG LEU A 33 -4.158 17.023 -3.019 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.519 18.362 -3.353 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.136 15.900 -3.129 1.00 0.00 C ATOM 0 H LEU A 33 -6.032 17.229 0.527 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.747 18.964 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.003 17.381 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.045 16.038 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.955 16.834 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.089 18.320 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.276 19.146 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.734 18.581 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.711 15.892 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.342 16.058 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.623 14.945 -2.934 1.00 0.00 H new ATOM 490 N LEU A 34 -7.835 16.417 -1.828 1.00 0.00 N ATOM 491 CA LEU A 34 -8.955 15.837 -2.560 1.00 0.00 C ATOM 492 C LEU A 34 -10.076 16.856 -2.736 1.00 0.00 C ATOM 493 O LEU A 34 -10.920 16.719 -3.621 1.00 0.00 O ATOM 494 CB LEU A 34 -9.484 14.602 -1.828 1.00 0.00 C ATOM 495 CG LEU A 34 -8.585 13.366 -1.861 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.991 12.381 -0.776 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.640 12.704 -3.231 1.00 0.00 C ATOM 0 H LEU A 34 -7.641 15.971 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.598 15.542 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.661 14.870 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.450 14.336 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.559 13.681 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.340 11.508 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.901 12.857 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.024 12.071 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.994 11.826 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.665 12.402 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.300 13.409 -3.990 1.00 0.00 H new ATOM 509 N ASN A 35 -10.077 17.880 -1.888 1.00 0.00 N ATOM 510 CA ASN A 35 -11.093 18.924 -1.951 1.00 0.00 C ATOM 511 C ASN A 35 -10.570 20.148 -2.698 1.00 0.00 C ATOM 512 O ASN A 35 -11.161 20.583 -3.685 1.00 0.00 O ATOM 513 CB ASN A 35 -11.533 19.323 -0.541 1.00 0.00 C ATOM 514 CG ASN A 35 -12.632 18.427 -0.003 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.543 18.037 -0.734 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.551 18.097 1.280 1.00 0.00 N ATOM 0 H ASN A 35 -9.385 18.009 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.951 18.528 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.675 19.283 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.882 20.356 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.262 17.497 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.778 18.444 1.848 1.00 0.00 H new ATOM 523 N GLU A 36 -9.458 20.696 -2.218 1.00 0.00 N ATOM 524 CA GLU A 36 -8.856 21.870 -2.840 1.00 0.00 C ATOM 525 C GLU A 36 -8.176 21.500 -4.155 1.00 0.00 C ATOM 526 O GLU A 36 -8.230 22.251 -5.128 1.00 0.00 O ATOM 527 CB GLU A 36 -7.842 22.513 -1.892 1.00 0.00 C ATOM 528 CG GLU A 36 -8.442 22.955 -0.568 1.00 0.00 C ATOM 529 CD GLU A 36 -7.613 24.021 0.122 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.437 23.744 0.440 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.139 25.131 0.343 1.00 0.00 O ATOM 0 H GLU A 36 -8.956 20.347 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.650 22.586 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.038 21.803 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.394 23.376 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.448 23.337 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.537 22.091 0.090 1.00 0.00 H new ATOM 538 N GLY A 37 -7.536 20.335 -4.176 1.00 0.00 N ATOM 539 CA GLY A 37 -6.853 19.885 -5.375 1.00 0.00 C ATOM 540 C GLY A 37 -7.807 19.307 -6.403 1.00 0.00 C ATOM 541 O GLY A 37 -8.732 18.573 -6.057 1.00 0.00 O ATOM 0 H GLY A 37 -7.478 19.695 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.311 20.721 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.113 19.131 -5.107 1.00 0.00 H new ATOM 545 N SER A 38 -7.583 19.641 -7.669 1.00 0.00 N ATOM 546 CA SER A 38 -8.432 19.155 -8.750 1.00 0.00 C ATOM 547 C SER A 38 -7.835 17.906 -9.391 1.00 0.00 C ATOM 548 O SER A 38 -6.796 17.409 -8.957 1.00 0.00 O ATOM 549 CB SER A 38 -8.622 20.244 -9.808 1.00 0.00 C ATOM 550 OG SER A 38 -9.356 21.339 -9.287 1.00 0.00 O ATOM 0 H SER A 38 -6.820 20.247 -7.972 1.00 0.00 H new ATOM 0 HA SER A 38 -9.403 18.896 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.649 20.588 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.144 19.830 -10.671 1.00 0.00 H new ATOM 0 HG SER A 38 -9.462 22.022 -9.982 1.00 0.00 H new ATOM 556 N ALA A 39 -8.500 17.405 -10.427 1.00 0.00 N ATOM 557 CA ALA A 39 -8.035 16.216 -11.130 1.00 0.00 C ATOM 558 C ALA A 39 -6.531 16.278 -11.379 1.00 0.00 C ATOM 559 O ALA A 39 -5.806 15.323 -11.100 1.00 0.00 O ATOM 560 CB ALA A 39 -8.783 16.054 -12.445 1.00 0.00 C ATOM 0 H ALA A 39 -9.362 17.804 -10.798 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.237 15.350 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.426 15.162 -12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.850 15.955 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.610 16.928 -13.072 1.00 0.00 H new ATOM 566 N ARG A 40 -6.070 17.408 -11.907 1.00 0.00 N ATOM 567 CA ARG A 40 -4.653 17.593 -12.195 1.00 0.00 C ATOM 568 C ARG A 40 -3.816 17.440 -10.928 1.00 0.00 C ATOM 569 O ARG A 40 -3.004 16.521 -10.816 1.00 0.00 O ATOM 570 CB ARG A 40 -4.413 18.971 -12.815 1.00 0.00 C ATOM 571 CG ARG A 40 -2.969 19.210 -13.226 1.00 0.00 C ATOM 572 CD ARG A 40 -2.664 18.585 -14.579 1.00 0.00 C ATOM 573 NE ARG A 40 -3.448 19.192 -15.651 1.00 0.00 N ATOM 574 CZ ARG A 40 -4.626 18.729 -16.053 1.00 0.00 C ATOM 575 NH1 ARG A 40 -5.154 17.659 -15.474 1.00 0.00 N ATOM 576 NH2 ARG A 40 -5.279 19.336 -17.036 1.00 0.00 N ATOM 0 H ARG A 40 -6.657 18.208 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.349 16.824 -12.905 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.054 19.084 -13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.710 19.739 -12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.774 20.282 -13.267 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.301 18.793 -12.472 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.602 18.696 -14.799 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.871 17.516 -14.539 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.070 20.017 -16.117 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.655 17.190 -14.718 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.059 17.305 -15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.876 20.159 -17.484 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.184 18.979 -17.344 1.00 0.00 H new ATOM 590 N ASP A 41 -4.018 18.347 -9.979 1.00 0.00 N ATOM 591 CA ASP A 41 -3.283 18.313 -8.720 1.00 0.00 C ATOM 592 C ASP A 41 -3.207 16.891 -8.173 1.00 0.00 C ATOM 593 O ASP A 41 -2.128 16.398 -7.843 1.00 0.00 O ATOM 594 CB ASP A 41 -3.945 19.233 -7.693 1.00 0.00 C ATOM 595 CG ASP A 41 -4.188 20.627 -8.236 1.00 0.00 C ATOM 596 OD1 ASP A 41 -5.091 20.785 -9.085 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.476 21.561 -7.813 1.00 0.00 O ATOM 0 H ASP A 41 -4.685 19.115 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.269 18.664 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.894 18.798 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.314 19.296 -6.806 1.00 0.00 H new ATOM 602 N LEU A 42 -4.359 16.236 -8.079 1.00 0.00 N ATOM 603 CA LEU A 42 -4.424 14.870 -7.571 1.00 0.00 C ATOM 604 C LEU A 42 -3.390 13.984 -8.258 1.00 0.00 C ATOM 605 O LEU A 42 -2.795 13.107 -7.631 1.00 0.00 O ATOM 606 CB LEU A 42 -5.826 14.294 -7.779 1.00 0.00 C ATOM 607 CG LEU A 42 -6.958 14.992 -7.025 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.310 14.482 -7.500 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.805 14.786 -5.525 1.00 0.00 C ATOM 0 H LEU A 42 -5.261 16.629 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.203 14.894 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.054 14.323 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.813 13.245 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.903 16.061 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.104 14.990 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.420 14.681 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.377 13.409 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.619 15.289 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.834 13.720 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.852 15.201 -5.196 1.00 0.00 H new ATOM 621 N ARG A 43 -3.180 14.221 -9.549 1.00 0.00 N ATOM 622 CA ARG A 43 -2.217 13.445 -10.320 1.00 0.00 C ATOM 623 C ARG A 43 -0.970 13.147 -9.492 1.00 0.00 C ATOM 624 O ARG A 43 -0.417 12.049 -9.557 1.00 0.00 O ATOM 625 CB ARG A 43 -1.828 14.196 -11.595 1.00 0.00 C ATOM 626 CG ARG A 43 -3.003 14.488 -12.513 1.00 0.00 C ATOM 627 CD ARG A 43 -3.228 13.359 -13.506 1.00 0.00 C ATOM 628 NE ARG A 43 -2.108 13.214 -14.432 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.839 14.082 -15.402 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.605 15.151 -15.570 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.802 13.881 -16.205 1.00 0.00 N ATOM 0 H ARG A 43 -3.664 14.944 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.686 12.499 -10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.350 15.136 -11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.089 13.610 -12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.904 14.635 -11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.822 15.418 -13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.375 12.424 -12.965 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.142 13.548 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.499 12.402 -14.329 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.403 15.309 -14.954 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.397 15.816 -16.315 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.210 13.060 -16.078 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.596 14.548 -16.949 1.00 0.00 H new ATOM 645 N SER A 44 -0.533 14.132 -8.714 1.00 0.00 N ATOM 646 CA SER A 44 0.650 13.977 -7.877 1.00 0.00 C ATOM 647 C SER A 44 0.516 12.761 -6.966 1.00 0.00 C ATOM 648 O SER A 44 1.439 11.954 -6.847 1.00 0.00 O ATOM 649 CB SER A 44 0.874 15.236 -7.036 1.00 0.00 C ATOM 650 OG SER A 44 0.920 16.393 -7.853 1.00 0.00 O ATOM 0 H SER A 44 -0.981 15.046 -8.646 1.00 0.00 H new ATOM 0 HA SER A 44 1.510 13.827 -8.530 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.073 15.336 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.806 15.144 -6.478 1.00 0.00 H new ATOM 0 HG SER A 44 0.007 16.686 -8.058 1.00 0.00 H new ATOM 656 N LEU A 45 -0.641 12.636 -6.324 1.00 0.00 N ATOM 657 CA LEU A 45 -0.898 11.518 -5.422 1.00 0.00 C ATOM 658 C LEU A 45 -0.480 10.197 -6.060 1.00 0.00 C ATOM 659 O LEU A 45 -0.588 10.021 -7.273 1.00 0.00 O ATOM 660 CB LEU A 45 -2.381 11.470 -5.048 1.00 0.00 C ATOM 661 CG LEU A 45 -2.848 12.504 -4.023 1.00 0.00 C ATOM 662 CD1 LEU A 45 -4.327 12.324 -3.719 1.00 0.00 C ATOM 663 CD2 LEU A 45 -2.023 12.401 -2.748 1.00 0.00 C ATOM 0 H LEU A 45 -1.415 13.294 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.306 11.668 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.969 11.598 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.605 10.476 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.704 13.498 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.641 13.069 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.905 12.449 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.497 11.326 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.369 13.144 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.135 11.404 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.973 12.581 -2.979 1.00 0.00 H new ATOM 675 N GLN A 46 -0.005 9.271 -5.233 1.00 0.00 N ATOM 676 CA GLN A 46 0.427 7.965 -5.717 1.00 0.00 C ATOM 677 C GLN A 46 -0.740 6.984 -5.753 1.00 0.00 C ATOM 678 O GLN A 46 -1.678 7.091 -4.962 1.00 0.00 O ATOM 679 CB GLN A 46 1.545 7.414 -4.830 1.00 0.00 C ATOM 680 CG GLN A 46 2.757 8.327 -4.741 1.00 0.00 C ATOM 681 CD GLN A 46 3.644 8.240 -5.967 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.256 8.655 -7.059 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.844 7.699 -5.792 1.00 0.00 N ATOM 0 H GLN A 46 0.090 9.401 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 46 0.805 8.088 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.152 7.246 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.859 6.444 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.423 9.356 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.339 8.067 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.125 7.368 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.485 7.614 -6.581 1.00 0.00 H new ATOM 692 N ARG A 47 -0.676 6.029 -6.675 1.00 0.00 N ATOM 693 CA ARG A 47 -1.728 5.030 -6.815 1.00 0.00 C ATOM 694 C ARG A 47 -3.074 5.694 -7.092 1.00 0.00 C ATOM 695 O ARG A 47 -4.125 5.164 -6.727 1.00 0.00 O ATOM 696 CB ARG A 47 -1.820 4.174 -5.551 1.00 0.00 C ATOM 697 CG ARG A 47 -0.469 3.708 -5.032 1.00 0.00 C ATOM 698 CD ARG A 47 -0.585 2.389 -4.283 1.00 0.00 C ATOM 699 NE ARG A 47 0.638 1.597 -4.378 1.00 0.00 N ATOM 700 CZ ARG A 47 0.713 0.317 -4.032 1.00 0.00 C ATOM 701 NH1 ARG A 47 -0.359 -0.313 -3.573 1.00 0.00 N ATOM 702 NH2 ARG A 47 1.862 -0.337 -4.147 1.00 0.00 N ATOM 0 H ARG A 47 0.094 5.926 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.477 4.390 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.322 4.746 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.441 3.302 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.223 3.594 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.050 4.467 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.809 2.586 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.420 1.816 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 47 1.481 2.052 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.245 0.185 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.298 -1.296 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.689 0.143 -4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.918 -1.320 -3.881 1.00 0.00 H new ATOM 716 N ILE A 48 -3.034 6.854 -7.738 1.00 0.00 N ATOM 717 CA ILE A 48 -4.250 7.589 -8.063 1.00 0.00 C ATOM 718 C ILE A 48 -4.504 7.593 -9.567 1.00 0.00 C ATOM 719 O ILE A 48 -5.382 6.886 -10.061 1.00 0.00 O ATOM 720 CB ILE A 48 -4.181 9.043 -7.562 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.147 9.077 -6.032 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.363 9.842 -8.089 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.134 8.131 -5.385 1.00 0.00 C ATOM 0 H ILE A 48 -2.173 7.305 -8.047 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.071 7.079 -7.559 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.264 9.498 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.141 8.828 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.354 10.092 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.300 10.868 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.346 9.841 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.292 9.390 -7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.055 8.208 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.146 8.393 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.914 7.109 -5.693 1.00 0.00 H new ATOM 735 N GLY A 49 -3.728 8.394 -10.291 1.00 0.00 N ATOM 736 CA GLY A 49 -3.883 8.474 -11.731 1.00 0.00 C ATOM 737 C GLY A 49 -4.735 9.652 -12.158 1.00 0.00 C ATOM 738 O GLY A 49 -5.463 10.241 -11.359 1.00 0.00 O ATOM 0 H GLY A 49 -2.995 8.989 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.900 8.553 -12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.334 7.552 -12.096 1.00 0.00 H new ATOM 742 N PRO A 50 -4.648 10.014 -13.447 1.00 0.00 N ATOM 743 CA PRO A 50 -5.410 11.135 -14.007 1.00 0.00 C ATOM 744 C PRO A 50 -6.903 10.837 -14.090 1.00 0.00 C ATOM 745 O PRO A 50 -7.728 11.750 -14.126 1.00 0.00 O ATOM 746 CB PRO A 50 -4.819 11.299 -15.410 1.00 0.00 C ATOM 747 CG PRO A 50 -4.276 9.954 -15.752 1.00 0.00 C ATOM 748 CD PRO A 50 -3.801 9.358 -14.456 1.00 0.00 C ATOM 0 HA PRO A 50 -5.333 12.030 -13.389 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.579 11.613 -16.126 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.036 12.057 -15.424 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.042 9.329 -16.211 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.458 10.034 -16.468 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.926 8.275 -14.442 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.743 9.559 -14.285 1.00 0.00 H new ATOM 756 N LYS A 51 -7.245 9.553 -14.119 1.00 0.00 N ATOM 757 CA LYS A 51 -8.639 9.134 -14.195 1.00 0.00 C ATOM 758 C LYS A 51 -9.303 9.200 -12.824 1.00 0.00 C ATOM 759 O LYS A 51 -10.246 9.964 -12.615 1.00 0.00 O ATOM 760 CB LYS A 51 -8.736 7.712 -14.752 1.00 0.00 C ATOM 761 CG LYS A 51 -10.013 7.449 -15.532 1.00 0.00 C ATOM 762 CD LYS A 51 -11.161 7.072 -14.610 1.00 0.00 C ATOM 763 CE LYS A 51 -11.027 5.642 -14.109 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.573 4.659 -15.086 1.00 0.00 N ATOM 0 H LYS A 51 -6.575 8.784 -14.091 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.161 9.817 -14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.880 7.526 -15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.672 7.003 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.281 8.337 -16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.843 6.647 -16.250 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.187 7.755 -13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.107 7.186 -15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.977 5.420 -13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.551 5.539 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.463 3.696 -14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.582 4.854 -15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.056 4.739 -15.985 1.00 0.00 H new ATOM 778 N LYS A 52 -8.805 8.395 -11.891 1.00 0.00 N ATOM 779 CA LYS A 52 -9.348 8.364 -10.538 1.00 0.00 C ATOM 780 C LYS A 52 -9.354 9.759 -9.922 1.00 0.00 C ATOM 781 O LYS A 52 -10.241 10.097 -9.138 1.00 0.00 O ATOM 782 CB LYS A 52 -8.532 7.411 -9.661 1.00 0.00 C ATOM 783 CG LYS A 52 -8.931 5.953 -9.811 1.00 0.00 C ATOM 784 CD LYS A 52 -8.103 5.053 -8.910 1.00 0.00 C ATOM 785 CE LYS A 52 -8.316 3.584 -9.242 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.108 2.766 -8.943 1.00 0.00 N ATOM 0 H LYS A 52 -8.026 7.755 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.376 8.006 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.476 7.517 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.645 7.704 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.988 5.837 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.805 5.645 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.047 5.302 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.370 5.234 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.163 3.202 -8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.570 3.483 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.152 1.874 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.255 3.292 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.072 2.560 -7.924 1.00 0.00 H new ATOM 800 N ALA A 53 -8.361 10.565 -10.282 1.00 0.00 N ATOM 801 CA ALA A 53 -8.255 11.924 -9.767 1.00 0.00 C ATOM 802 C ALA A 53 -9.499 12.739 -10.108 1.00 0.00 C ATOM 803 O ALA A 53 -10.181 13.247 -9.219 1.00 0.00 O ATOM 804 CB ALA A 53 -7.010 12.602 -10.320 1.00 0.00 C ATOM 0 H ALA A 53 -7.618 10.300 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.174 11.870 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.943 13.617 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.126 12.038 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.068 12.637 -11.408 1.00 0.00 H new ATOM 810 N GLN A 54 -9.786 12.859 -11.400 1.00 0.00 N ATOM 811 CA GLN A 54 -10.947 13.613 -11.857 1.00 0.00 C ATOM 812 C GLN A 54 -12.234 13.036 -11.277 1.00 0.00 C ATOM 813 O GLN A 54 -13.085 13.771 -10.773 1.00 0.00 O ATOM 814 CB GLN A 54 -11.016 13.609 -13.385 1.00 0.00 C ATOM 815 CG GLN A 54 -11.816 12.449 -13.955 1.00 0.00 C ATOM 816 CD GLN A 54 -12.027 12.565 -15.451 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.950 11.969 -16.008 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.171 13.335 -16.112 1.00 0.00 N ATOM 0 H GLN A 54 -9.231 12.444 -12.148 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.841 14.640 -11.508 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.459 14.546 -13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.003 13.573 -13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.300 11.514 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.785 12.402 -13.458 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.421 13.811 -15.611 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.264 13.451 -17.121 1.00 0.00 H new ATOM 827 N LEU A 55 -12.371 11.717 -11.351 1.00 0.00 N ATOM 828 CA LEU A 55 -13.555 11.040 -10.833 1.00 0.00 C ATOM 829 C LEU A 55 -13.943 11.591 -9.465 1.00 0.00 C ATOM 830 O LEU A 55 -15.124 11.779 -9.172 1.00 0.00 O ATOM 831 CB LEU A 55 -13.305 9.534 -10.737 1.00 0.00 C ATOM 832 CG LEU A 55 -13.129 8.797 -12.064 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.747 7.345 -11.822 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.402 8.884 -12.895 1.00 0.00 C ATOM 0 H LEU A 55 -11.677 11.095 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.378 11.222 -11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.412 9.372 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.139 9.081 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.322 9.276 -12.619 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.626 6.836 -12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.810 7.303 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.531 6.854 -11.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.259 8.354 -13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.227 8.431 -12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.633 9.930 -13.099 1.00 0.00 H new ATOM 846 N ILE A 56 -12.941 11.851 -8.632 1.00 0.00 N ATOM 847 CA ILE A 56 -13.177 12.384 -7.296 1.00 0.00 C ATOM 848 C ILE A 56 -13.574 13.855 -7.353 1.00 0.00 C ATOM 849 O ILE A 56 -14.335 14.337 -6.514 1.00 0.00 O ATOM 850 CB ILE A 56 -11.932 12.234 -6.402 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.419 10.793 -6.440 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.252 12.650 -4.974 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.939 10.670 -6.155 1.00 0.00 C ATOM 0 H ILE A 56 -11.958 11.701 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.995 11.806 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.149 12.888 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.971 10.200 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.628 10.367 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.362 12.538 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.574 13.691 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.049 12.019 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.646 9.621 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.377 11.235 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.726 11.065 -5.162 1.00 0.00 H new ATOM 865 N VAL A 57 -13.054 14.564 -8.350 1.00 0.00 N ATOM 866 CA VAL A 57 -13.356 15.980 -8.520 1.00 0.00 C ATOM 867 C VAL A 57 -14.787 16.183 -9.005 1.00 0.00 C ATOM 868 O VAL A 57 -15.567 16.906 -8.387 1.00 0.00 O ATOM 869 CB VAL A 57 -12.389 16.645 -9.517 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.758 18.106 -9.727 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.953 16.514 -9.033 1.00 0.00 C ATOM 0 H VAL A 57 -12.421 14.181 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.237 16.448 -7.543 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.474 16.133 -10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.063 18.559 -10.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.772 18.172 -10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.703 18.635 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.283 16.989 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.850 17.000 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.695 15.459 -8.940 1.00 0.00 H new ATOM 881 N GLY A 58 -15.126 15.537 -10.117 1.00 0.00 N ATOM 882 CA GLY A 58 -16.464 15.659 -10.667 1.00 0.00 C ATOM 883 C GLY A 58 -17.538 15.274 -9.669 1.00 0.00 C ATOM 884 O GLY A 58 -18.670 15.751 -9.751 1.00 0.00 O ATOM 0 H GLY A 58 -14.498 14.932 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.627 16.686 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.550 15.026 -11.550 1.00 0.00 H new ATOM 888 N TRP A 59 -17.184 14.409 -8.726 1.00 0.00 N ATOM 889 CA TRP A 59 -18.128 13.959 -7.709 1.00 0.00 C ATOM 890 C TRP A 59 -18.430 15.075 -6.715 1.00 0.00 C ATOM 891 O TRP A 59 -19.590 15.418 -6.486 1.00 0.00 O ATOM 892 CB TRP A 59 -17.573 12.739 -6.972 1.00 0.00 C ATOM 893 CG TRP A 59 -18.335 12.399 -5.727 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.393 13.131 -4.576 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.146 11.240 -5.509 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.191 12.497 -3.655 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.666 11.335 -4.203 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.485 10.131 -6.289 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.504 10.363 -3.663 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.317 9.168 -5.752 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.820 9.289 -4.450 1.00 0.00 C ATOM 0 H TRP A 59 -16.251 14.005 -8.644 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.056 13.681 -8.208 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.587 11.881 -7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.531 12.924 -6.712 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -17.886 14.071 -4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.397 12.837 -2.715 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.103 10.029 -7.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -20.891 10.453 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.584 8.307 -6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.470 8.520 -4.060 1.00 0.00 H new ATOM 912 N ARG A 60 -17.379 15.637 -6.127 1.00 0.00 N ATOM 913 CA ARG A 60 -17.533 16.714 -5.156 1.00 0.00 C ATOM 914 C ARG A 60 -18.070 17.977 -5.825 1.00 0.00 C ATOM 915 O ARG A 60 -18.694 18.816 -5.177 1.00 0.00 O ATOM 916 CB ARG A 60 -16.195 17.014 -4.478 1.00 0.00 C ATOM 917 CG ARG A 60 -15.073 17.324 -5.456 1.00 0.00 C ATOM 918 CD ARG A 60 -13.841 17.854 -4.739 1.00 0.00 C ATOM 919 NE ARG A 60 -14.060 19.187 -4.185 1.00 0.00 N ATOM 920 CZ ARG A 60 -14.142 20.287 -4.927 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.023 20.211 -6.245 1.00 0.00 N ATOM 922 NH2 ARG A 60 -14.343 21.464 -4.349 1.00 0.00 N ATOM 0 H ARG A 60 -16.412 15.365 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.250 16.389 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.321 17.860 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.907 16.159 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.813 16.423 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.416 18.059 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.566 17.169 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.002 17.884 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.155 19.279 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.868 19.307 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.086 21.056 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.435 21.525 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.406 22.308 -4.919 1.00 0.00 H new ATOM 936 N GLU A 61 -17.821 18.103 -7.125 1.00 0.00 N ATOM 937 CA GLU A 61 -18.279 19.263 -7.880 1.00 0.00 C ATOM 938 C GLU A 61 -19.785 19.455 -7.723 1.00 0.00 C ATOM 939 O GLU A 61 -20.270 20.581 -7.603 1.00 0.00 O ATOM 940 CB GLU A 61 -17.925 19.108 -9.360 1.00 0.00 C ATOM 941 CG GLU A 61 -16.548 19.644 -9.716 1.00 0.00 C ATOM 942 CD GLU A 61 -16.445 20.069 -11.168 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.143 19.468 -12.012 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.667 21.001 -11.461 1.00 0.00 O ATOM 0 H GLU A 61 -17.305 17.417 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.775 20.144 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.975 18.053 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.673 19.626 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.316 20.495 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.800 18.878 -9.512 1.00 0.00 H new ATOM 951 N LEU A 62 -20.519 18.349 -7.726 1.00 0.00 N ATOM 952 CA LEU A 62 -21.971 18.393 -7.585 1.00 0.00 C ATOM 953 C LEU A 62 -22.391 18.028 -6.165 1.00 0.00 C ATOM 954 O LEU A 62 -23.055 18.810 -5.482 1.00 0.00 O ATOM 955 CB LEU A 62 -22.630 17.441 -8.584 1.00 0.00 C ATOM 956 CG LEU A 62 -22.689 17.925 -10.034 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.740 16.744 -10.989 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.890 18.836 -10.243 1.00 0.00 C ATOM 0 H LEU A 62 -20.133 17.410 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.300 19.411 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -22.093 16.493 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.647 17.240 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.785 18.496 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.782 17.108 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.849 16.131 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.626 16.145 -10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.916 19.171 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.805 18.290 -10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.810 19.701 -9.584 1.00 0.00 H new ATOM 970 N HIS A 63 -21.999 16.837 -5.724 1.00 0.00 N ATOM 971 CA HIS A 63 -22.333 16.370 -4.384 1.00 0.00 C ATOM 972 C HIS A 63 -21.864 17.367 -3.328 1.00 0.00 C ATOM 973 O HIS A 63 -22.645 17.810 -2.488 1.00 0.00 O ATOM 974 CB HIS A 63 -21.701 15.001 -4.126 1.00 0.00 C ATOM 975 CG HIS A 63 -22.361 13.886 -4.876 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.235 12.996 -4.288 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.273 13.520 -6.176 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.653 12.129 -5.193 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.085 12.426 -6.348 1.00 0.00 N ATOM 0 H HIS A 63 -21.450 16.178 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.417 16.280 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.647 15.039 -4.401 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.744 14.785 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.675 13.999 -6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.342 11.316 -5.018 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.226 11.924 -7.225 1.00 0.00 H new ATOM 988 N GLY A 64 -20.581 17.715 -3.378 1.00 0.00 N ATOM 989 CA GLY A 64 -20.030 18.656 -2.421 1.00 0.00 C ATOM 990 C GLY A 64 -18.688 18.210 -1.876 1.00 0.00 C ATOM 991 O GLY A 64 -18.030 17.330 -2.431 1.00 0.00 O ATOM 0 H GLY A 64 -19.914 17.362 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.920 19.631 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.730 18.782 -1.595 1.00 0.00 H new ATOM 995 N PRO A 65 -18.261 18.828 -0.765 1.00 0.00 N ATOM 996 CA PRO A 65 -16.983 18.506 -0.121 1.00 0.00 C ATOM 997 C PRO A 65 -16.993 17.128 0.530 1.00 0.00 C ATOM 998 O PRO A 65 -18.042 16.633 0.943 1.00 0.00 O ATOM 999 CB PRO A 65 -16.836 19.599 0.941 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.232 20.027 1.240 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.993 19.887 -0.049 1.00 0.00 C ATOM 0 HA PRO A 65 -16.162 18.475 -0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.339 19.219 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.237 20.432 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.671 19.407 2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.256 21.056 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -20.032 19.609 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -19.003 20.820 -0.613 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.818 16.513 0.620 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.692 15.190 1.221 1.00 0.00 C ATOM 1011 C PHE A 66 -15.497 15.296 2.731 1.00 0.00 C ATOM 1012 O PHE A 66 -14.443 15.722 3.203 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.519 14.432 0.596 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.697 14.156 -0.870 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.606 13.204 -1.303 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.956 14.848 -1.814 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.771 12.947 -2.651 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.118 14.596 -3.164 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.027 13.644 -3.582 1.00 0.00 C ATOM 0 H PHE A 66 -14.940 16.909 0.285 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.614 14.641 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.606 15.009 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.386 13.487 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.192 12.657 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.244 15.593 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.482 12.201 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.535 15.143 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.156 13.445 -4.636 1.00 0.00 H new ATOM 1029 N SER A 67 -16.521 14.905 3.483 1.00 0.00 N ATOM 1030 CA SER A 67 -16.465 14.959 4.939 1.00 0.00 C ATOM 1031 C SER A 67 -15.189 14.303 5.458 1.00 0.00 C ATOM 1032 O SER A 67 -14.611 14.747 6.450 1.00 0.00 O ATOM 1033 CB SER A 67 -17.689 14.269 5.543 1.00 0.00 C ATOM 1034 OG SER A 67 -18.890 14.834 5.047 1.00 0.00 O ATOM 0 H SER A 67 -17.399 14.547 3.108 1.00 0.00 H new ATOM 0 HA SER A 67 -16.462 16.007 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.661 13.204 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.662 14.359 6.629 1.00 0.00 H new ATOM 0 HG SER A 67 -19.657 14.374 5.447 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.757 13.245 4.780 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.551 12.527 5.173 1.00 0.00 C ATOM 1042 C GLN A 68 -12.940 11.796 3.982 1.00 0.00 C ATOM 1043 O GLN A 68 -13.443 11.883 2.862 1.00 0.00 O ATOM 1044 CB GLN A 68 -13.865 11.531 6.291 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.153 10.754 6.068 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.801 10.314 7.366 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.215 10.445 8.442 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.016 9.788 7.273 1.00 0.00 N ATOM 0 H GLN A 68 -15.224 12.866 3.956 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.828 13.256 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.037 10.828 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.933 12.068 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.854 11.373 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.943 9.877 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.464 9.698 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.501 9.474 8.113 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.851 11.076 4.231 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.171 10.329 3.180 1.00 0.00 C ATOM 1059 C VAL A 69 -11.926 9.049 2.839 1.00 0.00 C ATOM 1060 O VAL A 69 -11.868 8.565 1.709 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.730 9.969 3.589 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.923 9.534 2.375 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.065 11.145 4.287 1.00 0.00 C ATOM 0 H VAL A 69 -11.421 10.994 5.152 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.141 10.974 2.302 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.768 9.134 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.908 9.284 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.390 8.660 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.892 10.346 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.048 10.873 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.038 12.001 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.632 11.405 5.181 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.634 8.506 3.825 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.400 7.281 3.629 1.00 0.00 C ATOM 1075 C GLU A 70 -14.422 7.452 2.508 1.00 0.00 C ATOM 1076 O GLU A 70 -14.862 6.476 1.901 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.110 6.884 4.925 1.00 0.00 C ATOM 1078 CG GLU A 70 -13.218 6.140 5.904 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.870 5.951 7.260 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -14.928 5.290 7.321 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -13.323 6.464 8.259 1.00 0.00 O ATOM 0 H GLU A 70 -12.693 8.895 4.766 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.705 6.490 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.496 7.782 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.969 6.259 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.963 5.165 5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.284 6.688 6.027 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.795 8.698 2.241 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.764 8.999 1.194 1.00 0.00 C ATOM 1090 C ASP A 71 -15.313 8.425 -0.146 1.00 0.00 C ATOM 1091 O ASP A 71 -16.136 8.066 -0.989 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.965 10.510 1.073 1.00 0.00 C ATOM 1093 CG ASP A 71 -16.829 11.070 2.186 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.274 10.281 3.046 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.061 12.297 2.198 1.00 0.00 O ATOM 0 H ASP A 71 -14.441 9.517 2.735 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.712 8.535 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.994 11.005 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.425 10.737 0.111 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.000 8.342 -0.336 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.438 7.812 -1.573 1.00 0.00 C ATOM 1102 C LEU A 72 -14.034 6.447 -1.902 1.00 0.00 C ATOM 1103 O LEU A 72 -14.085 6.045 -3.064 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.917 7.703 -1.460 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.139 9.015 -1.579 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.663 8.787 -1.293 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.329 9.624 -2.960 1.00 0.00 C ATOM 0 H LEU A 72 -13.305 8.635 0.351 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.688 8.501 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.676 7.247 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.563 7.022 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.528 9.715 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.125 9.731 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.544 8.396 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.260 8.071 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.769 10.557 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.967 8.928 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.387 9.824 -3.127 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.487 5.741 -0.870 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.081 4.421 -1.051 1.00 0.00 C ATOM 1121 C GLU A 73 -16.327 4.501 -1.928 1.00 0.00 C ATOM 1122 O GLU A 73 -16.512 3.691 -2.836 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.436 3.808 0.305 1.00 0.00 C ATOM 1124 CG GLU A 73 -15.812 2.338 0.228 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.298 2.126 0.009 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -17.724 2.083 -1.164 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -18.033 2.003 1.011 1.00 0.00 O ATOM 0 H GLU A 73 -14.454 6.060 0.098 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.348 3.785 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.587 3.923 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.266 4.365 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.258 1.867 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.510 1.841 1.150 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.178 5.483 -1.649 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.407 5.668 -2.411 1.00 0.00 C ATOM 1136 C ARG A 74 -18.161 6.545 -3.636 1.00 0.00 C ATOM 1137 O ARG A 74 -19.007 7.356 -4.012 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.488 6.297 -1.530 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.058 7.598 -0.873 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.222 8.277 -0.167 1.00 0.00 C ATOM 1141 NE ARG A 74 -21.306 8.605 -1.090 1.00 0.00 N ATOM 1142 CZ ARG A 74 -22.518 8.979 -0.696 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.800 9.072 0.596 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -23.451 9.261 -1.596 1.00 0.00 N ATOM 0 H ARG A 74 -17.039 6.162 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.746 4.689 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.376 6.482 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.773 5.585 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.262 7.399 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.647 8.269 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.600 7.623 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.870 9.188 0.318 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.122 8.543 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.085 8.856 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.732 9.360 0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.238 9.191 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.382 9.548 -1.293 1.00 0.00 H new ATOM 1158 N VAL A 75 -16.996 6.376 -4.253 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.638 7.151 -5.436 1.00 0.00 C ATOM 1160 C VAL A 75 -16.572 6.264 -6.674 1.00 0.00 C ATOM 1161 O VAL A 75 -15.840 5.275 -6.703 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.284 7.861 -5.253 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.871 8.563 -6.537 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.351 8.845 -4.095 1.00 0.00 C ATOM 0 H VAL A 75 -16.284 5.710 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.417 7.901 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.529 7.111 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.912 9.059 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.780 7.831 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.625 9.303 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.386 9.338 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.118 9.593 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.597 8.311 -3.177 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.341 6.626 -7.696 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.369 5.862 -8.938 1.00 0.00 C ATOM 1176 C GLU A 76 -15.955 5.594 -9.444 1.00 0.00 C ATOM 1177 O GLU A 76 -15.224 6.518 -9.797 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.171 6.611 -10.005 1.00 0.00 C ATOM 1179 CG GLU A 76 -19.650 6.267 -10.008 1.00 0.00 C ATOM 1180 CD GLU A 76 -20.454 7.152 -10.941 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.109 8.346 -11.067 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.426 6.652 -11.544 1.00 0.00 O ATOM 0 H GLU A 76 -17.952 7.443 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.851 4.906 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.056 7.683 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.752 6.387 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.776 5.225 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.043 6.361 -8.996 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.576 4.319 -9.476 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.251 3.951 -9.938 1.00 0.00 C ATOM 1191 C GLY A 77 -13.322 3.578 -8.800 1.00 0.00 C ATOM 1192 O GLY A 77 -12.583 2.597 -8.889 1.00 0.00 O ATOM 0 H GLY A 77 -16.163 3.536 -9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.331 3.111 -10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.821 4.782 -10.496 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.356 4.364 -7.729 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.510 4.111 -6.569 1.00 0.00 C ATOM 1198 C ILE A 78 -13.264 3.328 -5.499 1.00 0.00 C ATOM 1199 O ILE A 78 -14.134 3.868 -4.815 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.988 5.424 -5.956 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.384 6.315 -7.044 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.962 5.131 -4.873 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.084 7.722 -6.575 1.00 0.00 C ATOM 0 H ILE A 78 -13.960 5.181 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.663 3.521 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.825 5.954 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.464 5.858 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.072 6.361 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.602 6.069 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.423 4.531 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.124 4.583 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.658 8.297 -7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.005 8.198 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.372 7.687 -5.750 1.00 0.00 H new ATOM 1215 N THR A 79 -12.923 2.051 -5.358 1.00 0.00 N ATOM 1216 CA THR A 79 -13.566 1.193 -4.371 1.00 0.00 C ATOM 1217 C THR A 79 -12.970 1.407 -2.984 1.00 0.00 C ATOM 1218 O THR A 79 -11.992 2.135 -2.824 1.00 0.00 O ATOM 1219 CB THR A 79 -13.435 -0.294 -4.749 1.00 0.00 C ATOM 1220 OG1 THR A 79 -13.962 -1.115 -3.700 1.00 0.00 O ATOM 1221 CG2 THR A 79 -11.982 -0.662 -5.006 1.00 0.00 C ATOM 0 H THR A 79 -12.205 1.588 -5.915 1.00 0.00 H new ATOM 0 HA THR A 79 -14.621 1.465 -4.356 1.00 0.00 H new ATOM 0 HB THR A 79 -14.003 -0.464 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.922 -0.945 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.915 -1.717 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.593 -0.057 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.395 -0.476 -4.107 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.567 0.767 -1.983 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.080 0.901 -0.623 1.00 0.00 C ATOM 1231 C GLY A 80 -11.659 0.400 -0.464 1.00 0.00 C ATOM 1232 O GLY A 80 -10.947 0.808 0.455 1.00 0.00 O ATOM 0 H GLY A 80 -14.379 0.159 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.128 1.948 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.735 0.347 0.050 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.243 -0.489 -1.359 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.897 -1.048 -1.315 1.00 0.00 C ATOM 1238 C LYS A 81 -8.907 -0.140 -2.038 1.00 0.00 C ATOM 1239 O LYS A 81 -7.828 0.151 -1.522 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.880 -2.443 -1.945 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.455 -3.523 -1.046 1.00 0.00 C ATOM 1242 CD LYS A 81 -11.974 -3.485 -1.029 1.00 0.00 C ATOM 1243 CE LYS A 81 -12.550 -4.592 -0.159 1.00 0.00 C ATOM 1244 NZ LYS A 81 -12.604 -4.198 1.276 1.00 0.00 N ATOM 0 H LYS A 81 -11.819 -0.838 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.597 -1.125 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.445 -2.419 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.853 -2.704 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.119 -4.501 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.076 -3.394 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.311 -2.517 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.353 -3.586 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.553 -4.841 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.943 -5.491 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.002 -4.979 1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.644 -3.985 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.204 -3.355 1.382 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.282 0.303 -3.234 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.426 1.178 -4.026 1.00 0.00 C ATOM 1260 C GLN A 82 -7.917 2.346 -3.188 1.00 0.00 C ATOM 1261 O GLN A 82 -6.751 2.729 -3.283 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.187 1.703 -5.245 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.219 0.726 -6.409 1.00 0.00 C ATOM 1264 CD GLN A 82 -7.833 0.344 -6.889 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -6.850 1.023 -6.588 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.746 -0.747 -7.640 1.00 0.00 N ATOM 0 H GLN A 82 -10.172 0.071 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.568 0.597 -4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.210 1.938 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.728 2.635 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.756 -0.174 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.776 1.169 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.586 -1.280 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.839 -1.053 -7.992 1.00 0.00 H new ATOM 1275 N MET A 83 -8.799 2.909 -2.369 1.00 0.00 N ATOM 1276 CA MET A 83 -8.438 4.033 -1.513 1.00 0.00 C ATOM 1277 C MET A 83 -7.540 3.578 -0.367 1.00 0.00 C ATOM 1278 O MET A 83 -6.581 4.261 -0.009 1.00 0.00 O ATOM 1279 CB MET A 83 -9.695 4.703 -0.956 1.00 0.00 C ATOM 1280 CG MET A 83 -10.404 3.877 0.105 1.00 0.00 C ATOM 1281 SD MET A 83 -9.698 4.106 1.749 1.00 0.00 S ATOM 1282 CE MET A 83 -10.110 5.822 2.058 1.00 0.00 C ATOM 0 H MET A 83 -9.769 2.605 -2.280 1.00 0.00 H new ATOM 0 HA MET A 83 -7.888 4.755 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.424 5.670 -0.531 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.387 4.898 -1.776 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.460 4.148 0.126 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.351 2.822 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.175 5.993 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.337 6.464 1.635 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.069 6.055 1.595 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.858 2.420 0.204 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.079 1.875 1.310 1.00 0.00 C ATOM 1294 C GLU A 84 -5.601 1.789 0.945 1.00 0.00 C ATOM 1295 O GLU A 84 -4.741 2.297 1.665 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.602 0.490 1.697 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.835 0.531 2.585 1.00 0.00 C ATOM 1298 CD GLU A 84 -9.475 -0.833 2.757 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -8.750 -1.791 3.096 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -10.702 -0.941 2.553 1.00 0.00 O ATOM 0 H GLU A 84 -8.649 1.842 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.186 2.547 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.836 -0.067 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.812 -0.057 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.561 0.926 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.564 1.219 2.157 1.00 0.00 H new ATOM 1307 N SER A 85 -5.312 1.141 -0.180 1.00 0.00 N ATOM 1308 CA SER A 85 -3.937 0.984 -0.640 1.00 0.00 C ATOM 1309 C SER A 85 -3.294 2.342 -0.905 1.00 0.00 C ATOM 1310 O SER A 85 -2.126 2.562 -0.583 1.00 0.00 O ATOM 1311 CB SER A 85 -3.896 0.131 -1.909 1.00 0.00 C ATOM 1312 OG SER A 85 -4.132 -1.235 -1.614 1.00 0.00 O ATOM 0 H SER A 85 -6.012 0.717 -0.789 1.00 0.00 H new ATOM 0 HA SER A 85 -3.372 0.482 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.645 0.488 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.925 0.239 -2.392 1.00 0.00 H new ATOM 0 HG SER A 85 -4.102 -1.758 -2.442 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.065 3.250 -1.494 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.572 4.586 -1.805 1.00 0.00 C ATOM 1320 C PHE A 86 -3.121 5.307 -0.538 1.00 0.00 C ATOM 1321 O PHE A 86 -1.945 5.645 -0.387 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.657 5.403 -2.510 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.560 6.879 -2.251 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.379 7.562 -2.494 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.650 7.583 -1.766 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.288 8.920 -2.256 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.564 8.942 -1.526 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.381 9.612 -1.773 1.00 0.00 C ATOM 0 H PHE A 86 -5.034 3.085 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.714 4.484 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.594 5.226 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.635 5.049 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.521 7.027 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.578 7.064 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.361 9.441 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.420 9.479 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.311 10.674 -1.589 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.062 5.540 0.370 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.763 6.221 1.625 1.00 0.00 C ATOM 1340 C LEU A 87 -2.363 5.867 2.117 1.00 0.00 C ATOM 1341 O LEU A 87 -1.467 6.711 2.134 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.798 5.851 2.689 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.068 6.702 2.714 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.149 6.025 3.541 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -5.769 8.091 3.259 1.00 0.00 C ATOM 0 H LEU A 87 -5.039 5.267 0.261 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.804 7.295 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.085 4.810 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.322 5.915 3.668 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.433 6.805 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.045 6.646 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.384 5.053 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.794 5.890 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.684 8.683 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.379 8.008 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.029 8.579 2.625 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.181 4.612 2.515 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.890 4.143 3.004 1.00 0.00 C ATOM 1359 C LYS A 88 0.254 4.830 2.265 1.00 0.00 C ATOM 1360 O LYS A 88 1.036 5.570 2.862 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.780 2.626 2.839 1.00 0.00 C ATOM 1362 CG LYS A 88 0.102 1.963 3.883 1.00 0.00 C ATOM 1363 CD LYS A 88 0.770 0.712 3.336 1.00 0.00 C ATOM 1364 CE LYS A 88 -0.254 -0.286 2.819 1.00 0.00 C ATOM 1365 NZ LYS A 88 -0.614 -0.025 1.397 1.00 0.00 N ATOM 0 H LYS A 88 -2.912 3.901 2.508 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.817 4.393 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.778 2.190 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.385 2.404 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.864 2.667 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.497 1.704 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.452 0.985 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.370 0.247 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.144 -1.296 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.152 -0.238 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.737 -0.929 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.501 0.516 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.145 0.521 0.941 1.00 0.00 H new ATOM 1379 N ALA A 89 0.344 4.582 0.962 1.00 0.00 N ATOM 1380 CA ALA A 89 1.390 5.180 0.142 1.00 0.00 C ATOM 1381 C ALA A 89 1.735 6.583 0.628 1.00 0.00 C ATOM 1382 O ALA A 89 2.878 6.861 0.990 1.00 0.00 O ATOM 1383 CB ALA A 89 0.960 5.216 -1.318 1.00 0.00 C ATOM 0 H ALA A 89 -0.295 3.971 0.452 1.00 0.00 H new ATOM 0 HA ALA A 89 2.284 4.563 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.751 5.665 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.771 4.201 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.050 5.808 -1.415 1.00 0.00 H new ATOM 1389 N ASN A 90 0.740 7.464 0.635 1.00 0.00 N ATOM 1390 CA ASN A 90 0.939 8.840 1.076 1.00 0.00 C ATOM 1391 C ASN A 90 1.198 8.897 2.579 1.00 0.00 C ATOM 1392 O ASN A 90 2.244 9.372 3.021 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.282 9.692 0.725 1.00 0.00 C ATOM 1394 CG ASN A 90 -0.166 10.331 -0.646 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.317 9.663 -1.669 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.104 11.631 -0.671 1.00 0.00 N ATOM 0 H ASN A 90 -0.213 7.250 0.340 1.00 0.00 H new ATOM 0 HA ASN A 90 1.812 9.238 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.177 9.071 0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.406 10.471 1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.194 12.116 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.221 12.144 0.203 1.00 0.00 H new ATOM 1403 N ILE A 91 0.238 8.408 3.357 1.00 0.00 N ATOM 1404 CA ILE A 91 0.363 8.402 4.810 1.00 0.00 C ATOM 1405 C ILE A 91 1.734 7.892 5.241 1.00 0.00 C ATOM 1406 O ILE A 91 2.548 8.645 5.778 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.726 7.531 5.464 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.084 8.232 5.389 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.361 7.225 6.909 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.231 7.382 5.888 1.00 0.00 C ATOM 0 H ILE A 91 -0.634 8.011 3.006 1.00 0.00 H new ATOM 0 HA ILE A 91 0.241 9.433 5.143 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.794 6.589 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.042 9.151 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.279 8.520 4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.140 6.609 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.588 6.690 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.269 8.157 7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.162 7.943 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.299 6.475 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.059 7.115 6.931 1.00 0.00 H new ATOM 1422 N LEU A 92 1.984 6.609 5.003 1.00 0.00 N ATOM 1423 CA LEU A 92 3.258 5.998 5.365 1.00 0.00 C ATOM 1424 C LEU A 92 4.416 6.693 4.657 1.00 0.00 C ATOM 1425 O LEU A 92 5.395 7.090 5.288 1.00 0.00 O ATOM 1426 CB LEU A 92 3.249 4.509 5.015 1.00 0.00 C ATOM 1427 CG LEU A 92 2.428 3.607 5.937 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.709 2.143 5.639 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.726 3.923 7.396 1.00 0.00 C ATOM 0 H LEU A 92 1.321 5.972 4.561 1.00 0.00 H new ATOM 0 HA LEU A 92 3.395 6.111 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.870 4.397 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.278 4.151 5.012 1.00 0.00 H new ATOM 0 HG LEU A 92 1.371 3.798 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.116 1.516 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.445 1.925 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.768 1.937 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.133 3.272 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.785 3.761 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.473 4.963 7.602 1.00 0.00 H new ATOM 1441 N GLY A 93 4.297 6.837 3.340 1.00 0.00 N ATOM 1442 CA GLY A 93 5.340 7.486 2.568 1.00 0.00 C ATOM 1443 C GLY A 93 5.826 8.769 3.212 1.00 0.00 C ATOM 1444 O GLY A 93 7.030 9.019 3.283 1.00 0.00 O ATOM 0 H GLY A 93 3.497 6.516 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.180 6.801 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.965 7.705 1.568 1.00 0.00 H new ATOM 1448 N LEU A 94 4.889 9.585 3.682 1.00 0.00 N ATOM 1449 CA LEU A 94 5.229 10.851 4.323 1.00 0.00 C ATOM 1450 C LEU A 94 6.367 10.667 5.322 1.00 0.00 C ATOM 1451 O LEU A 94 7.320 11.445 5.341 1.00 0.00 O ATOM 1452 CB LEU A 94 4.003 11.431 5.030 1.00 0.00 C ATOM 1453 CG LEU A 94 3.000 12.167 4.140 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.617 12.154 4.771 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.460 13.595 3.886 1.00 0.00 C ATOM 0 H LEU A 94 3.888 9.393 3.631 1.00 0.00 H new ATOM 0 HA LEU A 94 5.558 11.545 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.482 10.618 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.346 12.119 5.803 1.00 0.00 H new ATOM 0 HG LEU A 94 2.944 11.649 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.917 12.682 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.286 11.124 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.656 12.647 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.734 14.103 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.545 14.124 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.430 13.582 3.389 1.00 0.00 H new ATOM 1467 N ALA A 95 6.261 9.632 6.148 1.00 0.00 N ATOM 1468 CA ALA A 95 7.283 9.344 7.147 1.00 0.00 C ATOM 1469 C ALA A 95 8.642 9.121 6.493 1.00 0.00 C ATOM 1470 O ALA A 95 9.662 9.612 6.976 1.00 0.00 O ATOM 1471 CB ALA A 95 6.887 8.129 7.972 1.00 0.00 C ATOM 0 H ALA A 95 5.478 8.979 6.145 1.00 0.00 H new ATOM 0 HA ALA A 95 7.364 10.207 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.659 7.926 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.941 8.325 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.776 7.265 7.317 1.00 0.00 H new ATOM 1477 N ALA A 96 8.649 8.378 5.391 1.00 0.00 N ATOM 1478 CA ALA A 96 9.883 8.091 4.670 1.00 0.00 C ATOM 1479 C ALA A 96 10.680 9.367 4.418 1.00 0.00 C ATOM 1480 O ALA A 96 11.858 9.452 4.761 1.00 0.00 O ATOM 1481 CB ALA A 96 9.575 7.390 3.356 1.00 0.00 C ATOM 0 H ALA A 96 7.813 7.964 4.978 1.00 0.00 H new ATOM 0 HA ALA A 96 10.491 7.430 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.506 7.182 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.054 6.454 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.944 8.031 2.740 1.00 0.00 H new ATOM 1487 N GLY A 97 10.029 10.356 3.813 1.00 0.00 N ATOM 1488 CA GLY A 97 10.693 11.614 3.524 1.00 0.00 C ATOM 1489 C GLY A 97 11.706 11.992 4.587 1.00 0.00 C ATOM 1490 O GLY A 97 12.824 12.397 4.270 1.00 0.00 O ATOM 0 H GLY A 97 9.054 10.309 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.193 11.544 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.947 12.404 3.440 1.00 0.00 H new ATOM 1494 N GLN A 98 11.313 11.861 5.850 1.00 0.00 N ATOM 1495 CA GLN A 98 12.195 12.195 6.962 1.00 0.00 C ATOM 1496 C GLN A 98 13.621 11.733 6.683 1.00 0.00 C ATOM 1497 O GLN A 98 14.585 12.349 7.140 1.00 0.00 O ATOM 1498 CB GLN A 98 11.683 11.558 8.255 1.00 0.00 C ATOM 1499 CG GLN A 98 10.531 12.317 8.893 1.00 0.00 C ATOM 1500 CD GLN A 98 11.002 13.398 9.846 1.00 0.00 C ATOM 1501 OE1 GLN A 98 10.821 14.589 9.590 1.00 0.00 O ATOM 1502 NE2 GLN A 98 11.609 12.989 10.954 1.00 0.00 N ATOM 0 H GLN A 98 10.391 11.526 6.128 1.00 0.00 H new ATOM 0 HA GLN A 98 12.200 13.279 7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.363 10.537 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.504 11.494 8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 98 9.921 12.768 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.893 11.616 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 98 11.738 11.992 11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 98 11.946 13.672 11.633 1.00 0.00 H new TER 1511 GLN A 98