USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 586 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 30 ASN :FLIP amide:sc= -3.45! C(o=-5.7!,f=-4.5!) USER MOD Set 1.2: A 32 THR OG1 : rot 170:sc= -1.01! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 53:sc= 0.748 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0375 K(o=-0.038,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00251) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -55:sc=0.000734 USER MOD Single : A 16 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.9) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 72:sc= -1.03 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00823 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.132 USER MOD Single : A 50 MET CE :methyl 161:sc= -1.03 (180deg=-2.12) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 56 MET CE :methyl 169:sc= -6.9! (180deg=-7.82!) USER MOD Single : A 61 ASN : amide:sc= -0.0729 K(o=-0.073,f=-0.99) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= 0.218 (180deg=-0.00394) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.853 -8.904 6.368 1.00 0.00 N ATOM 2 CA GLY A 1 19.221 -8.805 7.671 1.00 0.00 C ATOM 3 C GLY A 1 19.379 -10.071 8.489 1.00 0.00 C ATOM 4 O GLY A 1 19.299 -11.178 7.955 1.00 0.00 O ATOM 0 H1 GLY A 1 19.717 -8.014 5.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.870 -9.083 6.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.425 -9.686 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.652 -7.966 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.160 -8.590 7.542 1.00 0.00 H new ATOM 8 N SER A 2 19.605 -9.910 9.789 1.00 0.00 N ATOM 9 CA SER A 2 19.780 -11.050 10.682 1.00 0.00 C ATOM 10 C SER A 2 18.430 -11.626 11.098 1.00 0.00 C ATOM 11 O SER A 2 17.900 -11.291 12.157 1.00 0.00 O ATOM 12 CB SER A 2 20.575 -10.636 11.921 1.00 0.00 C ATOM 13 OG SER A 2 19.916 -9.600 12.628 1.00 0.00 O ATOM 0 H SER A 2 19.671 -9.001 10.247 1.00 0.00 H new ATOM 0 HA SER A 2 20.334 -11.820 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.710 -11.498 12.575 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.569 -10.302 11.624 1.00 0.00 H new ATOM 0 HG SER A 2 18.992 -9.868 12.815 1.00 0.00 H new ATOM 19 N SER A 3 17.880 -12.495 10.256 1.00 0.00 N ATOM 20 CA SER A 3 16.590 -13.116 10.534 1.00 0.00 C ATOM 21 C SER A 3 16.573 -14.568 10.065 1.00 0.00 C ATOM 22 O SER A 3 17.329 -14.952 9.173 1.00 0.00 O ATOM 23 CB SER A 3 15.466 -12.334 9.850 1.00 0.00 C ATOM 24 OG SER A 3 15.534 -10.956 10.172 1.00 0.00 O ATOM 0 H SER A 3 18.307 -12.785 9.376 1.00 0.00 H new ATOM 0 HA SER A 3 16.431 -13.099 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.535 -12.462 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.500 -12.735 10.158 1.00 0.00 H new ATOM 0 HG SER A 3 14.806 -10.479 9.722 1.00 0.00 H new ATOM 30 N GLY A 4 15.705 -15.370 10.673 1.00 0.00 N ATOM 31 CA GLY A 4 15.606 -16.770 10.306 1.00 0.00 C ATOM 32 C GLY A 4 14.600 -17.522 11.155 1.00 0.00 C ATOM 33 O GLY A 4 14.970 -18.387 11.948 1.00 0.00 O ATOM 0 H GLY A 4 15.068 -15.075 11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.322 -16.848 9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.585 -17.239 10.407 1.00 0.00 H new ATOM 37 N SER A 5 13.323 -17.191 10.989 1.00 0.00 N ATOM 38 CA SER A 5 12.261 -17.838 11.751 1.00 0.00 C ATOM 39 C SER A 5 11.200 -18.417 10.819 1.00 0.00 C ATOM 40 O SER A 5 10.159 -17.803 10.589 1.00 0.00 O ATOM 41 CB SER A 5 11.618 -16.841 12.717 1.00 0.00 C ATOM 42 OG SER A 5 10.996 -15.779 12.015 1.00 0.00 O ATOM 0 H SER A 5 12.999 -16.479 10.334 1.00 0.00 H new ATOM 0 HA SER A 5 12.702 -18.654 12.323 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.881 -17.353 13.336 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.376 -16.441 13.390 1.00 0.00 H new ATOM 0 HG SER A 5 10.408 -16.145 11.322 1.00 0.00 H new ATOM 48 N SER A 6 11.474 -19.603 10.287 1.00 0.00 N ATOM 49 CA SER A 6 10.546 -20.265 9.377 1.00 0.00 C ATOM 50 C SER A 6 9.119 -20.198 9.913 1.00 0.00 C ATOM 51 O SER A 6 8.179 -19.909 9.174 1.00 0.00 O ATOM 52 CB SER A 6 10.956 -21.724 9.168 1.00 0.00 C ATOM 53 OG SER A 6 12.194 -21.813 8.484 1.00 0.00 O ATOM 0 H SER A 6 12.331 -20.126 10.470 1.00 0.00 H new ATOM 0 HA SER A 6 10.581 -19.745 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.033 -22.225 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.185 -22.244 8.600 1.00 0.00 H new ATOM 0 HG SER A 6 12.435 -22.755 8.364 1.00 0.00 H new ATOM 59 N GLY A 7 8.966 -20.468 11.206 1.00 0.00 N ATOM 60 CA GLY A 7 7.651 -20.433 11.821 1.00 0.00 C ATOM 61 C GLY A 7 7.634 -21.083 13.190 1.00 0.00 C ATOM 62 O GLY A 7 8.399 -22.012 13.455 1.00 0.00 O ATOM 0 H GLY A 7 9.729 -20.710 11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.322 -19.398 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.936 -20.940 11.173 1.00 0.00 H new ATOM 66 N LEU A 8 6.762 -20.593 14.064 1.00 0.00 N ATOM 67 CA LEU A 8 6.650 -21.131 15.416 1.00 0.00 C ATOM 68 C LEU A 8 5.362 -21.932 15.577 1.00 0.00 C ATOM 69 O LEU A 8 5.362 -23.014 16.162 1.00 0.00 O ATOM 70 CB LEU A 8 6.691 -19.997 16.442 1.00 0.00 C ATOM 71 CG LEU A 8 8.072 -19.412 16.741 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.534 -18.522 15.598 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.049 -18.635 18.050 1.00 0.00 C ATOM 0 H LEU A 8 6.122 -19.825 13.861 1.00 0.00 H new ATOM 0 HA LEU A 8 7.495 -21.798 15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.046 -19.192 16.090 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.264 -20.363 17.376 1.00 0.00 H new ATOM 0 HG LEU A 8 8.780 -20.234 16.842 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.518 -18.115 15.829 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.590 -19.108 14.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.826 -17.704 15.464 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.040 -18.226 18.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.328 -17.821 17.977 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.763 -19.301 18.864 1.00 0.00 H new ATOM 85 N ASN A 9 4.266 -21.393 15.054 1.00 0.00 N ATOM 86 CA ASN A 9 2.971 -22.059 15.138 1.00 0.00 C ATOM 87 C ASN A 9 2.074 -21.654 13.972 1.00 0.00 C ATOM 88 O ASN A 9 2.343 -20.672 13.280 1.00 0.00 O ATOM 89 CB ASN A 9 2.286 -21.720 16.464 1.00 0.00 C ATOM 90 CG ASN A 9 2.465 -20.265 16.853 1.00 0.00 C ATOM 91 OD1 ASN A 9 3.539 -19.856 17.293 1.00 0.00 O ATOM 92 ND2 ASN A 9 1.410 -19.476 16.690 1.00 0.00 N ATOM 0 H ASN A 9 4.248 -20.497 14.567 1.00 0.00 H new ATOM 0 HA ASN A 9 3.139 -23.135 15.087 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.222 -21.944 16.388 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.690 -22.356 17.251 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.470 -18.487 16.933 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.539 -19.859 16.322 1.00 0.00 H new ATOM 99 N ASP A 10 1.008 -22.418 13.761 1.00 0.00 N ATOM 100 CA ASP A 10 0.070 -22.139 12.680 1.00 0.00 C ATOM 101 C ASP A 10 -1.038 -21.201 13.150 1.00 0.00 C ATOM 102 O ASP A 10 -1.587 -21.368 14.240 1.00 0.00 O ATOM 103 CB ASP A 10 -0.537 -23.441 12.154 1.00 0.00 C ATOM 104 CG ASP A 10 -1.021 -23.317 10.723 1.00 0.00 C ATOM 105 OD1 ASP A 10 -1.454 -22.211 10.336 1.00 0.00 O ATOM 106 OD2 ASP A 10 -0.967 -24.326 9.989 1.00 0.00 O ATOM 0 H ASP A 10 0.772 -23.235 14.324 1.00 0.00 H new ATOM 0 HA ASP A 10 0.618 -21.650 11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.206 -24.236 12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.371 -23.734 12.792 1.00 0.00 H new ATOM 111 N LEU A 11 -1.361 -20.214 12.322 1.00 0.00 N ATOM 112 CA LEU A 11 -2.402 -19.248 12.653 1.00 0.00 C ATOM 113 C LEU A 11 -3.631 -19.449 11.772 1.00 0.00 C ATOM 114 O LEU A 11 -3.525 -19.910 10.635 1.00 0.00 O ATOM 115 CB LEU A 11 -1.873 -17.822 12.491 1.00 0.00 C ATOM 116 CG LEU A 11 -0.698 -17.436 13.391 1.00 0.00 C ATOM 117 CD1 LEU A 11 0.095 -16.295 12.773 1.00 0.00 C ATOM 118 CD2 LEU A 11 -1.192 -17.055 14.779 1.00 0.00 C ATOM 0 H LEU A 11 -0.917 -20.062 11.416 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.692 -19.406 13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.570 -17.684 11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.692 -17.128 12.679 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.039 -18.299 13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.927 -16.034 13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.481 -16.604 11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.553 -15.428 12.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.343 -16.783 15.406 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.873 -16.207 14.703 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.715 -17.901 15.224 1.00 0.00 H new ATOM 130 N LYS A 12 -4.797 -19.097 12.303 1.00 0.00 N ATOM 131 CA LYS A 12 -6.047 -19.235 11.565 1.00 0.00 C ATOM 132 C LYS A 12 -5.966 -18.523 10.219 1.00 0.00 C ATOM 133 O LYS A 12 -5.337 -17.472 10.100 1.00 0.00 O ATOM 134 CB LYS A 12 -7.211 -18.671 12.383 1.00 0.00 C ATOM 135 CG LYS A 12 -7.471 -19.427 13.674 1.00 0.00 C ATOM 136 CD LYS A 12 -7.965 -20.839 13.404 1.00 0.00 C ATOM 137 CE LYS A 12 -8.471 -21.505 14.674 1.00 0.00 C ATOM 138 NZ LYS A 12 -7.383 -21.691 15.674 1.00 0.00 N ATOM 0 H LYS A 12 -4.902 -18.714 13.242 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.218 -20.296 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.006 -17.627 12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.114 -18.689 11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.555 -19.468 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.210 -18.890 14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.764 -20.810 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.157 -21.433 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.265 -20.899 15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.907 -22.473 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.761 -22.178 16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.621 -22.262 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.007 -20.763 15.954 1.00 0.00 H new ATOM 152 N GLU A 13 -6.607 -19.102 9.208 1.00 0.00 N ATOM 153 CA GLU A 13 -6.606 -18.520 7.871 1.00 0.00 C ATOM 154 C GLU A 13 -7.737 -17.506 7.718 1.00 0.00 C ATOM 155 O GLU A 13 -8.311 -17.359 6.639 1.00 0.00 O ATOM 156 CB GLU A 13 -6.744 -19.618 6.814 1.00 0.00 C ATOM 157 CG GLU A 13 -7.996 -20.464 6.974 1.00 0.00 C ATOM 158 CD GLU A 13 -8.093 -21.565 5.936 1.00 0.00 C ATOM 159 OE1 GLU A 13 -7.417 -22.601 6.105 1.00 0.00 O ATOM 160 OE2 GLU A 13 -8.845 -21.390 4.954 1.00 0.00 O ATOM 0 H GLU A 13 -7.133 -19.972 9.289 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.657 -18.004 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.749 -19.160 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.869 -20.267 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.006 -20.907 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.875 -19.823 6.902 1.00 0.00 H new ATOM 167 N SER A 14 -8.051 -16.810 8.806 1.00 0.00 N ATOM 168 CA SER A 14 -9.115 -15.814 8.795 1.00 0.00 C ATOM 169 C SER A 14 -9.156 -15.078 7.459 1.00 0.00 C ATOM 170 O SER A 14 -10.176 -15.078 6.769 1.00 0.00 O ATOM 171 CB SER A 14 -8.917 -14.813 9.935 1.00 0.00 C ATOM 172 OG SER A 14 -9.062 -15.442 11.196 1.00 0.00 O ATOM 0 H SER A 14 -7.583 -16.918 9.706 1.00 0.00 H new ATOM 0 HA SER A 14 -10.064 -16.331 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.927 -14.364 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.642 -14.004 9.843 1.00 0.00 H new ATOM 0 HG SER A 14 -8.929 -14.782 11.908 1.00 0.00 H new ATOM 178 N SER A 15 -8.040 -14.452 7.100 1.00 0.00 N ATOM 179 CA SER A 15 -7.949 -13.708 5.849 1.00 0.00 C ATOM 180 C SER A 15 -8.787 -12.435 5.911 1.00 0.00 C ATOM 181 O SER A 15 -9.463 -12.077 4.947 1.00 0.00 O ATOM 182 CB SER A 15 -8.410 -14.580 4.679 1.00 0.00 C ATOM 183 OG SER A 15 -7.870 -14.116 3.454 1.00 0.00 O ATOM 0 H SER A 15 -7.186 -14.445 7.658 1.00 0.00 H new ATOM 0 HA SER A 15 -6.907 -13.428 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.103 -15.612 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.499 -14.576 4.625 1.00 0.00 H new ATOM 0 HG SER A 15 -8.101 -13.172 3.331 1.00 0.00 H new ATOM 189 N ASN A 16 -8.738 -11.757 7.052 1.00 0.00 N ATOM 190 CA ASN A 16 -9.493 -10.523 7.242 1.00 0.00 C ATOM 191 C ASN A 16 -8.609 -9.302 7.005 1.00 0.00 C ATOM 192 O ASN A 16 -8.152 -8.662 7.951 1.00 0.00 O ATOM 193 CB ASN A 16 -10.083 -10.474 8.652 1.00 0.00 C ATOM 194 CG ASN A 16 -11.010 -11.641 8.932 1.00 0.00 C ATOM 195 OD1 ASN A 16 -11.724 -12.108 8.045 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.003 -12.117 10.172 1.00 0.00 N ATOM 0 H ASN A 16 -8.184 -12.041 7.860 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.305 -10.508 6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.273 -10.474 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.630 -9.540 8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.606 -12.901 10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.394 -11.699 10.875 1.00 0.00 H new ATOM 203 N ASN A 17 -8.372 -8.987 5.736 1.00 0.00 N ATOM 204 CA ASN A 17 -7.543 -7.843 5.374 1.00 0.00 C ATOM 205 C ASN A 17 -7.613 -7.572 3.874 1.00 0.00 C ATOM 206 O ASN A 17 -7.917 -8.467 3.086 1.00 0.00 O ATOM 207 CB ASN A 17 -6.091 -8.086 5.793 1.00 0.00 C ATOM 208 CG ASN A 17 -5.570 -9.428 5.317 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.343 -9.631 4.124 1.00 0.00 O ATOM 210 ND2 ASN A 17 -5.378 -10.353 6.251 1.00 0.00 N ATOM 0 H ASN A 17 -8.742 -9.508 4.941 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.925 -6.968 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.462 -7.292 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.015 -8.034 6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.029 -11.275 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.580 -10.141 7.228 1.00 0.00 H new ATOM 217 N ARG A 18 -7.329 -6.333 3.488 1.00 0.00 N ATOM 218 CA ARG A 18 -7.360 -5.944 2.084 1.00 0.00 C ATOM 219 C ARG A 18 -5.952 -5.913 1.497 1.00 0.00 C ATOM 220 O ARG A 18 -4.962 -5.923 2.228 1.00 0.00 O ATOM 221 CB ARG A 18 -8.020 -4.573 1.926 1.00 0.00 C ATOM 222 CG ARG A 18 -9.536 -4.633 1.840 1.00 0.00 C ATOM 223 CD ARG A 18 -10.098 -3.450 1.069 1.00 0.00 C ATOM 224 NE ARG A 18 -11.518 -3.244 1.338 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.297 -2.448 0.614 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.794 -1.786 -0.419 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.580 -2.313 0.922 1.00 0.00 N ATOM 0 H ARG A 18 -7.075 -5.581 4.128 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.945 -6.686 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.737 -3.944 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.632 -4.094 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.837 -5.561 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.958 -4.647 2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.545 -2.549 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.951 -3.611 0.001 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.935 -3.739 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.808 -1.888 -0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.393 -1.175 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.970 -2.821 1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.177 -1.701 0.365 1.00 0.00 H new ATOM 241 N LYS A 19 -5.870 -5.876 0.171 1.00 0.00 N ATOM 242 CA LYS A 19 -4.584 -5.843 -0.516 1.00 0.00 C ATOM 243 C LYS A 19 -4.537 -4.702 -1.528 1.00 0.00 C ATOM 244 O LYS A 19 -5.528 -4.413 -2.197 1.00 0.00 O ATOM 245 CB LYS A 19 -4.325 -7.176 -1.222 1.00 0.00 C ATOM 246 CG LYS A 19 -4.029 -8.321 -0.269 1.00 0.00 C ATOM 247 CD LYS A 19 -2.544 -8.421 0.039 1.00 0.00 C ATOM 248 CE LYS A 19 -2.133 -9.853 0.342 1.00 0.00 C ATOM 249 NZ LYS A 19 -0.709 -9.943 0.770 1.00 0.00 N ATOM 0 H LYS A 19 -6.679 -5.868 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.806 -5.677 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.195 -7.433 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.485 -7.058 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.585 -8.177 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.375 -9.258 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.970 -8.048 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.304 -7.785 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.774 -10.257 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.286 -10.470 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.468 -10.935 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.095 -9.582 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.568 -9.375 1.630 1.00 0.00 H new ATOM 263 N ALA A 20 -3.379 -4.059 -1.634 1.00 0.00 N ATOM 264 CA ALA A 20 -3.202 -2.953 -2.567 1.00 0.00 C ATOM 265 C ALA A 20 -1.764 -2.881 -3.067 1.00 0.00 C ATOM 266 O ALA A 20 -0.837 -3.324 -2.388 1.00 0.00 O ATOM 267 CB ALA A 20 -3.601 -1.640 -1.910 1.00 0.00 C ATOM 0 H ALA A 20 -2.549 -4.285 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.849 -3.128 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.464 -0.823 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.647 -1.687 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.978 -1.468 -1.032 1.00 0.00 H new ATOM 273 N ARG A 21 -1.584 -2.322 -4.259 1.00 0.00 N ATOM 274 CA ARG A 21 -0.258 -2.194 -4.851 1.00 0.00 C ATOM 275 C ARG A 21 0.281 -0.777 -4.678 1.00 0.00 C ATOM 276 O ARG A 21 -0.414 0.201 -4.954 1.00 0.00 O ATOM 277 CB ARG A 21 -0.302 -2.556 -6.337 1.00 0.00 C ATOM 278 CG ARG A 21 0.808 -1.914 -7.154 1.00 0.00 C ATOM 279 CD ARG A 21 0.616 -2.157 -8.643 1.00 0.00 C ATOM 280 NE ARG A 21 -0.241 -1.146 -9.256 1.00 0.00 N ATOM 281 CZ ARG A 21 -0.397 -1.012 -10.568 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.243 -1.823 -11.401 1.00 0.00 N ATOM 283 NH2 ARG A 21 -1.194 -0.068 -11.051 1.00 0.00 N ATOM 0 H ARG A 21 -2.340 -1.950 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 21 0.410 -2.884 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.238 -3.639 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.265 -2.253 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.831 -0.842 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.771 -2.316 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.587 -2.158 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.179 -3.144 -8.796 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.748 -0.508 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.856 -2.551 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.122 -1.718 -12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.689 0.557 -10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.312 0.033 -12.059 1.00 0.00 H new ATOM 297 N VAL A 22 1.524 -0.674 -4.218 1.00 0.00 N ATOM 298 CA VAL A 22 2.157 0.623 -4.008 1.00 0.00 C ATOM 299 C VAL A 22 2.507 1.284 -5.336 1.00 0.00 C ATOM 300 O VAL A 22 3.108 0.662 -6.213 1.00 0.00 O ATOM 301 CB VAL A 22 3.435 0.493 -3.158 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.136 1.837 -3.040 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.105 -0.069 -1.783 1.00 0.00 C ATOM 0 H VAL A 22 2.113 -1.473 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 22 1.438 1.244 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 22 4.113 -0.201 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.037 1.726 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.407 2.194 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.468 2.556 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.019 -0.154 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.408 0.598 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.651 -1.054 -1.892 1.00 0.00 H new ATOM 313 N LEU A 23 2.129 2.550 -5.477 1.00 0.00 N ATOM 314 CA LEU A 23 2.404 3.298 -6.699 1.00 0.00 C ATOM 315 C LEU A 23 3.749 4.012 -6.609 1.00 0.00 C ATOM 316 O LEU A 23 4.410 4.243 -7.623 1.00 0.00 O ATOM 317 CB LEU A 23 1.291 4.315 -6.960 1.00 0.00 C ATOM 318 CG LEU A 23 -0.138 3.817 -6.738 1.00 0.00 C ATOM 319 CD1 LEU A 23 -1.137 4.938 -6.979 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.436 2.630 -7.642 1.00 0.00 C ATOM 0 H LEU A 23 1.632 3.080 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 23 2.443 2.591 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.457 5.179 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.378 4.663 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.232 3.491 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.148 4.565 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.937 5.758 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.042 5.295 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.457 2.289 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.324 2.929 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.259 1.820 -7.420 1.00 0.00 H new ATOM 332 N TYR A 24 4.150 4.357 -5.391 1.00 0.00 N ATOM 333 CA TYR A 24 5.416 5.044 -5.169 1.00 0.00 C ATOM 334 C TYR A 24 6.012 4.665 -3.816 1.00 0.00 C ATOM 335 O TYR A 24 5.287 4.447 -2.845 1.00 0.00 O ATOM 336 CB TYR A 24 5.219 6.559 -5.245 1.00 0.00 C ATOM 337 CG TYR A 24 4.279 6.993 -6.348 1.00 0.00 C ATOM 338 CD1 TYR A 24 2.912 7.091 -6.124 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.760 7.305 -7.613 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.050 7.486 -7.128 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.905 7.702 -8.624 1.00 0.00 C ATOM 342 CZ TYR A 24 2.551 7.790 -8.377 1.00 0.00 C ATOM 343 OH TYR A 24 1.696 8.185 -9.380 1.00 0.00 O ATOM 0 H TYR A 24 3.616 4.172 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 24 6.109 4.735 -5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.834 6.915 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.188 7.036 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.516 6.854 -5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.820 7.236 -7.810 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.989 7.557 -6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.295 7.942 -9.602 1.00 0.00 H new ATOM 0 HH TYR A 24 2.209 8.363 -10.196 1.00 0.00 H new ATOM 353 N ASP A 25 7.337 4.590 -3.761 1.00 0.00 N ATOM 354 CA ASP A 25 8.033 4.239 -2.528 1.00 0.00 C ATOM 355 C ASP A 25 7.846 5.324 -1.472 1.00 0.00 C ATOM 356 O ASP A 25 8.254 6.470 -1.665 1.00 0.00 O ATOM 357 CB ASP A 25 9.523 4.026 -2.801 1.00 0.00 C ATOM 358 CG ASP A 25 10.158 5.211 -3.502 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.833 5.445 -4.684 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.982 5.904 -2.867 1.00 0.00 O ATOM 0 H ASP A 25 7.951 4.768 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 25 7.605 3.311 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.040 3.845 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.653 3.133 -3.412 1.00 0.00 H new ATOM 365 N TYR A 26 7.228 4.955 -0.356 1.00 0.00 N ATOM 366 CA TYR A 26 6.984 5.897 0.730 1.00 0.00 C ATOM 367 C TYR A 26 8.010 5.721 1.844 1.00 0.00 C ATOM 368 O TYR A 26 8.542 4.630 2.047 1.00 0.00 O ATOM 369 CB TYR A 26 5.572 5.711 1.287 1.00 0.00 C ATOM 370 CG TYR A 26 5.351 6.396 2.617 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.141 7.768 2.688 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.350 5.671 3.802 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.940 8.398 3.901 1.00 0.00 C ATOM 374 CE2 TYR A 26 5.148 6.292 5.020 1.00 0.00 C ATOM 375 CZ TYR A 26 4.944 7.656 5.064 1.00 0.00 C ATOM 376 OH TYR A 26 4.742 8.279 6.274 1.00 0.00 O ATOM 0 H TYR A 26 6.887 4.010 -0.179 1.00 0.00 H new ATOM 0 HA TYR A 26 7.079 6.906 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.852 6.096 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.372 4.645 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.135 8.352 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.510 4.603 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.781 9.466 3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.150 5.713 5.932 1.00 0.00 H new ATOM 0 HH TYR A 26 3.803 8.548 6.351 1.00 0.00 H new ATOM 386 N ASP A 27 8.283 6.804 2.565 1.00 0.00 N ATOM 387 CA ASP A 27 9.244 6.771 3.661 1.00 0.00 C ATOM 388 C ASP A 27 8.569 7.107 4.986 1.00 0.00 C ATOM 389 O ASP A 27 8.278 8.269 5.269 1.00 0.00 O ATOM 390 CB ASP A 27 10.388 7.750 3.394 1.00 0.00 C ATOM 391 CG ASP A 27 11.596 7.483 4.271 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.431 7.426 5.508 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.706 7.329 3.720 1.00 0.00 O ATOM 0 H ASP A 27 7.852 7.715 2.410 1.00 0.00 H new ATOM 0 HA ASP A 27 9.649 5.761 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.682 7.684 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.038 8.768 3.563 1.00 0.00 H new ATOM 398 N ALA A 28 8.320 6.083 5.796 1.00 0.00 N ATOM 399 CA ALA A 28 7.680 6.270 7.091 1.00 0.00 C ATOM 400 C ALA A 28 8.456 7.264 7.949 1.00 0.00 C ATOM 401 O ALA A 28 9.668 7.136 8.120 1.00 0.00 O ATOM 402 CB ALA A 28 7.549 4.937 7.813 1.00 0.00 C ATOM 0 H ALA A 28 8.552 5.114 5.577 1.00 0.00 H new ATOM 0 HA ALA A 28 6.684 6.678 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.069 5.092 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.945 4.256 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.539 4.506 7.965 1.00 0.00 H new ATOM 408 N ALA A 29 7.750 8.254 8.484 1.00 0.00 N ATOM 409 CA ALA A 29 8.372 9.269 9.325 1.00 0.00 C ATOM 410 C ALA A 29 8.803 8.684 10.665 1.00 0.00 C ATOM 411 O ALA A 29 9.875 9.004 11.177 1.00 0.00 O ATOM 412 CB ALA A 29 7.419 10.436 9.538 1.00 0.00 C ATOM 0 H ALA A 29 6.746 8.375 8.350 1.00 0.00 H new ATOM 0 HA ALA A 29 9.264 9.632 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.897 11.186 10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.165 10.879 8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.511 10.080 10.024 1.00 0.00 H new ATOM 418 N ASN A 30 7.960 7.824 11.228 1.00 0.00 N ATOM 419 CA ASN A 30 8.254 7.194 12.510 1.00 0.00 C ATOM 420 C ASN A 30 7.569 5.835 12.619 1.00 0.00 C ATOM 421 O ASN A 30 6.883 5.399 11.694 1.00 0.00 O ATOM 422 CB ASN A 30 7.804 8.098 13.660 1.00 0.00 C ATOM 423 CG ASN A 30 6.299 8.272 13.704 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.734 8.810 12.629 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 5.651 7.927 14.692 1.00 0.00 N flip ATOM 0 H ASN A 30 7.068 7.548 10.817 1.00 0.00 H new ATOM 0 HA ASN A 30 9.332 7.043 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.146 7.676 14.605 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.277 9.075 13.557 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.126 7.518 15.496 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.639 8.050 14.706 1.00 0.00 H new ATOM 432 N SER A 31 7.759 5.171 13.754 1.00 0.00 N ATOM 433 CA SER A 31 7.163 3.861 13.983 1.00 0.00 C ATOM 434 C SER A 31 5.706 3.840 13.528 1.00 0.00 C ATOM 435 O SER A 31 5.296 2.972 12.756 1.00 0.00 O ATOM 436 CB SER A 31 7.251 3.488 15.464 1.00 0.00 C ATOM 437 OG SER A 31 7.153 2.086 15.644 1.00 0.00 O ATOM 0 H SER A 31 8.322 5.519 14.530 1.00 0.00 H new ATOM 0 HA SER A 31 7.720 3.129 13.398 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.194 3.846 15.877 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.453 3.985 16.015 1.00 0.00 H new ATOM 0 HG SER A 31 7.214 1.874 16.599 1.00 0.00 H new ATOM 443 N THR A 32 4.928 4.803 14.011 1.00 0.00 N ATOM 444 CA THR A 32 3.517 4.896 13.656 1.00 0.00 C ATOM 445 C THR A 32 3.312 4.686 12.160 1.00 0.00 C ATOM 446 O THR A 32 2.302 4.125 11.737 1.00 0.00 O ATOM 447 CB THR A 32 2.926 6.260 14.058 1.00 0.00 C ATOM 448 OG1 THR A 32 3.601 7.312 13.359 1.00 0.00 O ATOM 449 CG2 THR A 32 3.047 6.482 15.558 1.00 0.00 C ATOM 0 H THR A 32 5.251 5.530 14.649 1.00 0.00 H new ATOM 0 HA THR A 32 3.000 4.109 14.205 1.00 0.00 H new ATOM 0 HB THR A 32 1.869 6.266 13.790 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.120 8.155 13.494 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.623 7.452 15.818 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.507 5.697 16.087 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.098 6.457 15.846 1.00 0.00 H new ATOM 457 N GLU A 33 4.276 5.140 11.366 1.00 0.00 N ATOM 458 CA GLU A 33 4.199 5.002 9.916 1.00 0.00 C ATOM 459 C GLU A 33 5.142 3.908 9.423 1.00 0.00 C ATOM 460 O GLU A 33 6.179 3.644 10.034 1.00 0.00 O ATOM 461 CB GLU A 33 4.540 6.329 9.235 1.00 0.00 C ATOM 462 CG GLU A 33 3.544 7.438 9.531 1.00 0.00 C ATOM 463 CD GLU A 33 4.164 8.819 9.440 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.700 9.295 10.463 1.00 0.00 O ATOM 465 OE2 GLU A 33 4.113 9.422 8.348 1.00 0.00 O ATOM 0 H GLU A 33 5.119 5.606 11.702 1.00 0.00 H new ATOM 0 HA GLU A 33 3.178 4.722 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.532 6.648 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.588 6.173 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.712 7.371 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.132 7.294 10.530 1.00 0.00 H new ATOM 472 N LEU A 34 4.775 3.274 8.315 1.00 0.00 N ATOM 473 CA LEU A 34 5.587 2.208 7.739 1.00 0.00 C ATOM 474 C LEU A 34 6.096 2.598 6.355 1.00 0.00 C ATOM 475 O LEU A 34 5.443 3.351 5.632 1.00 0.00 O ATOM 476 CB LEU A 34 4.777 0.913 7.652 1.00 0.00 C ATOM 477 CG LEU A 34 4.876 -0.023 8.856 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.069 -1.290 8.616 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.330 -0.363 9.150 1.00 0.00 C ATOM 0 H LEU A 34 3.920 3.480 7.797 1.00 0.00 H new ATOM 0 HA LEU A 34 6.447 2.048 8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.729 1.173 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.098 0.367 6.765 1.00 0.00 H new ATOM 0 HG LEU A 34 4.461 0.489 9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.152 -1.944 9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.023 -1.030 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.454 -1.805 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.381 -1.030 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.771 -0.855 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.881 0.552 9.368 1.00 0.00 H new ATOM 491 N SER A 35 7.264 2.078 5.991 1.00 0.00 N ATOM 492 CA SER A 35 7.860 2.373 4.693 1.00 0.00 C ATOM 493 C SER A 35 7.250 1.497 3.603 1.00 0.00 C ATOM 494 O SER A 35 7.023 0.303 3.803 1.00 0.00 O ATOM 495 CB SER A 35 9.374 2.161 4.745 1.00 0.00 C ATOM 496 OG SER A 35 10.040 3.340 5.162 1.00 0.00 O ATOM 0 H SER A 35 7.816 1.451 6.576 1.00 0.00 H new ATOM 0 HA SER A 35 7.653 3.416 4.454 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.607 1.346 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.737 1.863 3.761 1.00 0.00 H new ATOM 0 HG SER A 35 11.006 3.178 5.189 1.00 0.00 H new ATOM 502 N LEU A 36 6.985 2.099 2.449 1.00 0.00 N ATOM 503 CA LEU A 36 6.401 1.376 1.325 1.00 0.00 C ATOM 504 C LEU A 36 7.318 1.429 0.107 1.00 0.00 C ATOM 505 O LEU A 36 7.945 2.453 -0.167 1.00 0.00 O ATOM 506 CB LEU A 36 5.032 1.961 0.973 1.00 0.00 C ATOM 507 CG LEU A 36 4.093 2.229 2.150 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.778 2.816 1.661 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.848 0.950 2.938 1.00 0.00 C ATOM 0 H LEU A 36 7.165 3.086 2.267 1.00 0.00 H new ATOM 0 HA LEU A 36 6.279 0.334 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.186 2.897 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.534 1.278 0.285 1.00 0.00 H new ATOM 0 HG LEU A 36 4.567 2.955 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.123 3.000 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.970 3.755 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.298 2.115 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.178 1.159 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.395 0.203 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.796 0.571 3.321 1.00 0.00 H new ATOM 521 N LEU A 37 7.389 0.321 -0.622 1.00 0.00 N ATOM 522 CA LEU A 37 8.228 0.241 -1.813 1.00 0.00 C ATOM 523 C LEU A 37 7.400 0.454 -3.077 1.00 0.00 C ATOM 524 O LEU A 37 6.188 0.243 -3.079 1.00 0.00 O ATOM 525 CB LEU A 37 8.934 -1.114 -1.874 1.00 0.00 C ATOM 526 CG LEU A 37 10.144 -1.282 -0.955 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.497 -2.754 -0.801 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.334 -0.500 -1.492 1.00 0.00 C ATOM 0 H LEU A 37 6.876 -0.535 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 37 8.977 1.031 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.208 -1.890 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.256 -1.288 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 37 9.888 -0.886 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.361 -2.854 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.650 -3.288 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.734 -3.175 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.186 -0.631 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.591 -0.866 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.078 0.558 -1.550 1.00 0.00 H new ATOM 540 N ALA A 38 8.065 0.870 -4.150 1.00 0.00 N ATOM 541 CA ALA A 38 7.392 1.107 -5.421 1.00 0.00 C ATOM 542 C ALA A 38 7.144 -0.203 -6.163 1.00 0.00 C ATOM 543 O ALA A 38 8.021 -1.064 -6.230 1.00 0.00 O ATOM 544 CB ALA A 38 8.210 2.057 -6.282 1.00 0.00 C ATOM 0 H ALA A 38 9.069 1.050 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 38 6.425 1.565 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.695 2.225 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.331 3.007 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.190 1.621 -6.475 1.00 0.00 H new ATOM 550 N ASP A 39 5.945 -0.345 -6.717 1.00 0.00 N ATOM 551 CA ASP A 39 5.582 -1.550 -7.454 1.00 0.00 C ATOM 552 C ASP A 39 5.535 -2.761 -6.528 1.00 0.00 C ATOM 553 O ASP A 39 5.929 -3.862 -6.911 1.00 0.00 O ATOM 554 CB ASP A 39 6.577 -1.798 -8.589 1.00 0.00 C ATOM 555 CG ASP A 39 6.686 -0.616 -9.533 1.00 0.00 C ATOM 556 OD1 ASP A 39 5.698 0.137 -9.656 1.00 0.00 O ATOM 557 OD2 ASP A 39 7.759 -0.446 -10.149 1.00 0.00 O ATOM 0 H ASP A 39 5.208 0.359 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 39 4.589 -1.401 -7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.559 -2.014 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.270 -2.681 -9.151 1.00 0.00 H new ATOM 562 N GLU A 40 5.052 -2.548 -5.308 1.00 0.00 N ATOM 563 CA GLU A 40 4.957 -3.623 -4.327 1.00 0.00 C ATOM 564 C GLU A 40 3.509 -3.834 -3.891 1.00 0.00 C ATOM 565 O GLU A 40 2.602 -3.146 -4.359 1.00 0.00 O ATOM 566 CB GLU A 40 5.827 -3.310 -3.108 1.00 0.00 C ATOM 567 CG GLU A 40 5.101 -2.530 -2.025 1.00 0.00 C ATOM 568 CD GLU A 40 5.891 -2.451 -0.734 1.00 0.00 C ATOM 569 OE1 GLU A 40 6.843 -3.243 -0.571 1.00 0.00 O ATOM 570 OE2 GLU A 40 5.557 -1.598 0.115 1.00 0.00 O ATOM 0 H GLU A 40 4.721 -1.642 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 40 5.316 -4.540 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.195 -4.245 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.699 -2.741 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.897 -1.521 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.137 -3.000 -1.829 1.00 0.00 H new ATOM 577 N VAL A 41 3.302 -4.791 -2.992 1.00 0.00 N ATOM 578 CA VAL A 41 1.966 -5.093 -2.492 1.00 0.00 C ATOM 579 C VAL A 41 2.012 -5.525 -1.030 1.00 0.00 C ATOM 580 O VAL A 41 2.743 -6.447 -0.668 1.00 0.00 O ATOM 581 CB VAL A 41 1.293 -6.202 -3.323 1.00 0.00 C ATOM 582 CG1 VAL A 41 0.093 -6.771 -2.582 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.885 -5.670 -4.688 1.00 0.00 C ATOM 0 H VAL A 41 4.042 -5.370 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 41 1.380 -4.178 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 41 2.012 -7.008 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.369 -7.553 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.419 -7.191 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.632 -5.977 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.411 -6.466 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.183 -4.846 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.768 -5.316 -5.219 1.00 0.00 H new ATOM 593 N ILE A 42 1.225 -4.854 -0.196 1.00 0.00 N ATOM 594 CA ILE A 42 1.174 -5.170 1.226 1.00 0.00 C ATOM 595 C ILE A 42 -0.266 -5.251 1.720 1.00 0.00 C ATOM 596 O ILE A 42 -1.203 -4.916 0.995 1.00 0.00 O ATOM 597 CB ILE A 42 1.933 -4.123 2.062 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.302 -2.740 1.884 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.403 -4.094 1.669 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.463 -1.843 3.091 1.00 0.00 C ATOM 0 H ILE A 42 0.614 -4.088 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 42 1.654 -6.141 1.351 1.00 0.00 H new ATOM 0 HB ILE A 42 1.863 -4.401 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.750 -2.254 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.240 -2.859 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.925 -3.349 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.845 -5.075 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.492 -3.837 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.992 -0.880 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.990 -2.308 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.523 -1.694 3.294 1.00 0.00 H new ATOM 612 N THR A 43 -0.436 -5.698 2.960 1.00 0.00 N ATOM 613 CA THR A 43 -1.762 -5.824 3.552 1.00 0.00 C ATOM 614 C THR A 43 -2.205 -4.512 4.191 1.00 0.00 C ATOM 615 O THR A 43 -1.510 -3.959 5.043 1.00 0.00 O ATOM 616 CB THR A 43 -1.799 -6.938 4.615 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.700 -8.220 3.985 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.082 -6.866 5.430 1.00 0.00 C ATOM 0 H THR A 43 0.328 -5.979 3.574 1.00 0.00 H new ATOM 0 HA THR A 43 -2.446 -6.081 2.744 1.00 0.00 H new ATOM 0 HB THR A 43 -0.952 -6.797 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.723 -8.923 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.086 -7.662 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.141 -5.900 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.940 -6.984 4.769 1.00 0.00 H new ATOM 626 N VAL A 44 -3.367 -4.019 3.775 1.00 0.00 N ATOM 627 CA VAL A 44 -3.904 -2.773 4.309 1.00 0.00 C ATOM 628 C VAL A 44 -5.272 -2.992 4.945 1.00 0.00 C ATOM 629 O VAL A 44 -6.042 -3.849 4.508 1.00 0.00 O ATOM 630 CB VAL A 44 -4.026 -1.699 3.211 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.653 -1.328 2.672 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.935 -2.183 2.092 1.00 0.00 C ATOM 0 H VAL A 44 -3.955 -4.463 3.070 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.205 -2.427 5.070 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.471 -0.805 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.759 -0.568 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.038 -0.937 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.177 -2.213 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.010 -1.412 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.521 -3.091 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.926 -2.393 2.494 1.00 0.00 H new ATOM 642 N PHE A 45 -5.570 -2.212 5.978 1.00 0.00 N ATOM 643 CA PHE A 45 -6.846 -2.320 6.676 1.00 0.00 C ATOM 644 C PHE A 45 -7.122 -1.068 7.503 1.00 0.00 C ATOM 645 O PHE A 45 -6.208 -0.479 8.080 1.00 0.00 O ATOM 646 CB PHE A 45 -6.854 -3.555 7.580 1.00 0.00 C ATOM 647 CG PHE A 45 -5.658 -3.644 8.484 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.384 -3.787 7.958 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.808 -3.583 9.860 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.282 -3.869 8.787 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.709 -3.664 10.694 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.444 -3.808 10.157 1.00 0.00 C ATOM 0 H PHE A 45 -4.945 -1.497 6.351 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.633 -2.420 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.759 -3.545 8.188 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.897 -4.450 6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.251 -3.835 6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.794 -3.471 10.285 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.295 -3.981 8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.839 -3.615 11.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.584 -3.873 10.807 1.00 0.00 H new ATOM 662 N SER A 46 -8.388 -0.668 7.555 1.00 0.00 N ATOM 663 CA SER A 46 -8.785 0.517 8.308 1.00 0.00 C ATOM 664 C SER A 46 -8.884 0.205 9.798 1.00 0.00 C ATOM 665 O SER A 46 -9.041 -0.950 10.194 1.00 0.00 O ATOM 666 CB SER A 46 -10.125 1.047 7.796 1.00 0.00 C ATOM 667 OG SER A 46 -10.793 1.796 8.796 1.00 0.00 O ATOM 0 H SER A 46 -9.157 -1.146 7.085 1.00 0.00 H new ATOM 0 HA SER A 46 -8.022 1.282 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.961 1.672 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.753 0.214 7.481 1.00 0.00 H new ATOM 0 HG SER A 46 -11.646 2.125 8.443 1.00 0.00 H new ATOM 673 N VAL A 47 -8.790 1.245 10.621 1.00 0.00 N ATOM 674 CA VAL A 47 -8.871 1.084 12.068 1.00 0.00 C ATOM 675 C VAL A 47 -9.647 2.231 12.706 1.00 0.00 C ATOM 676 O VAL A 47 -9.340 3.402 12.484 1.00 0.00 O ATOM 677 CB VAL A 47 -7.469 1.012 12.703 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.566 0.608 14.166 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.585 0.044 11.932 1.00 0.00 C ATOM 0 H VAL A 47 -8.658 2.208 10.310 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.395 0.147 12.254 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.015 2.002 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.566 0.562 14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.162 1.343 14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.039 -0.371 14.243 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.598 0.005 12.394 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.033 -0.950 11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.489 0.382 10.900 1.00 0.00 H new ATOM 689 N VAL A 48 -10.655 1.885 13.501 1.00 0.00 N ATOM 690 CA VAL A 48 -11.475 2.885 14.174 1.00 0.00 C ATOM 691 C VAL A 48 -10.649 4.108 14.555 1.00 0.00 C ATOM 692 O VAL A 48 -9.601 3.989 15.188 1.00 0.00 O ATOM 693 CB VAL A 48 -12.135 2.310 15.441 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.606 3.431 16.354 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.291 1.393 15.070 1.00 0.00 C ATOM 0 H VAL A 48 -10.923 0.920 13.694 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.253 3.181 13.470 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.393 1.722 15.981 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.070 3.005 17.244 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.754 4.044 16.647 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.333 4.049 15.827 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.746 0.996 15.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.036 1.956 14.507 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.921 0.570 14.459 1.00 0.00 H new ATOM 705 N GLY A 49 -11.129 5.285 14.166 1.00 0.00 N ATOM 706 CA GLY A 49 -10.422 6.514 14.476 1.00 0.00 C ATOM 707 C GLY A 49 -9.290 6.792 13.508 1.00 0.00 C ATOM 708 O GLY A 49 -8.520 7.733 13.697 1.00 0.00 O ATOM 0 H GLY A 49 -11.995 5.410 13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.124 7.348 14.458 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.023 6.455 15.489 1.00 0.00 H new ATOM 712 N MET A 50 -9.186 5.969 12.469 1.00 0.00 N ATOM 713 CA MET A 50 -8.138 6.132 11.468 1.00 0.00 C ATOM 714 C MET A 50 -8.650 6.924 10.269 1.00 0.00 C ATOM 715 O MET A 50 -9.625 6.535 9.627 1.00 0.00 O ATOM 716 CB MET A 50 -7.625 4.765 11.010 1.00 0.00 C ATOM 717 CG MET A 50 -6.504 4.849 9.988 1.00 0.00 C ATOM 718 SD MET A 50 -5.974 3.227 9.404 1.00 0.00 S ATOM 719 CE MET A 50 -4.289 3.182 10.011 1.00 0.00 C ATOM 0 H MET A 50 -9.814 5.184 12.299 1.00 0.00 H new ATOM 0 HA MET A 50 -7.317 6.687 11.923 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.273 4.208 11.879 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.453 4.199 10.583 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.836 5.446 9.139 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.653 5.368 10.429 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.939 2.150 10.036 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.649 3.767 9.351 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.253 3.602 11.016 1.00 0.00 H new ATOM 729 N ASP A 51 -7.986 8.036 9.974 1.00 0.00 N ATOM 730 CA ASP A 51 -8.373 8.882 8.851 1.00 0.00 C ATOM 731 C ASP A 51 -8.621 8.046 7.600 1.00 0.00 C ATOM 732 O ASP A 51 -8.323 6.852 7.570 1.00 0.00 O ATOM 733 CB ASP A 51 -7.290 9.927 8.575 1.00 0.00 C ATOM 734 CG ASP A 51 -7.537 11.226 9.316 1.00 0.00 C ATOM 735 OD1 ASP A 51 -7.805 11.174 10.534 1.00 0.00 O ATOM 736 OD2 ASP A 51 -7.461 12.296 8.677 1.00 0.00 O ATOM 0 H ASP A 51 -7.177 8.373 10.497 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.300 9.391 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.319 9.525 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.245 10.126 7.504 1.00 0.00 H new ATOM 741 N SER A 52 -9.170 8.680 6.569 1.00 0.00 N ATOM 742 CA SER A 52 -9.463 7.993 5.317 1.00 0.00 C ATOM 743 C SER A 52 -8.272 8.064 4.367 1.00 0.00 C ATOM 744 O SER A 52 -8.224 7.358 3.359 1.00 0.00 O ATOM 745 CB SER A 52 -10.698 8.606 4.652 1.00 0.00 C ATOM 746 OG SER A 52 -10.634 10.021 4.663 1.00 0.00 O ATOM 0 H SER A 52 -9.421 9.669 6.576 1.00 0.00 H new ATOM 0 HA SER A 52 -9.663 6.946 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.776 8.250 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.597 8.276 5.173 1.00 0.00 H new ATOM 0 HG SER A 52 -11.433 10.388 4.231 1.00 0.00 H new ATOM 752 N ASP A 53 -7.312 8.922 4.695 1.00 0.00 N ATOM 753 CA ASP A 53 -6.119 9.086 3.872 1.00 0.00 C ATOM 754 C ASP A 53 -4.951 8.287 4.443 1.00 0.00 C ATOM 755 O ASP A 53 -3.799 8.495 4.062 1.00 0.00 O ATOM 756 CB ASP A 53 -5.741 10.564 3.773 1.00 0.00 C ATOM 757 CG ASP A 53 -6.867 11.414 3.217 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.727 11.850 4.009 1.00 0.00 O ATOM 759 OD2 ASP A 53 -6.888 11.641 1.989 1.00 0.00 O ATOM 0 H ASP A 53 -7.337 9.515 5.525 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.341 8.708 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.465 10.932 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.862 10.669 3.137 1.00 0.00 H new ATOM 764 N TRP A 54 -5.257 7.374 5.358 1.00 0.00 N ATOM 765 CA TRP A 54 -4.233 6.545 5.982 1.00 0.00 C ATOM 766 C TRP A 54 -4.812 5.206 6.427 1.00 0.00 C ATOM 767 O TRP A 54 -5.777 5.159 7.191 1.00 0.00 O ATOM 768 CB TRP A 54 -3.618 7.271 7.180 1.00 0.00 C ATOM 769 CG TRP A 54 -2.809 8.472 6.794 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.267 9.747 6.618 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.401 8.510 6.535 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.228 10.575 6.265 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.073 9.840 6.208 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.386 7.550 6.550 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.227 10.231 5.898 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.904 7.940 6.242 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.201 9.271 5.920 1.00 0.00 C ATOM 0 H TRP A 54 -6.206 7.189 5.684 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.455 6.356 5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.415 7.580 7.857 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.984 6.576 7.731 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.294 10.059 6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.304 11.574 6.076 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.605 6.522 6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.458 11.256 5.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.696 7.206 6.250 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.219 9.544 5.685 1.00 0.00 H new ATOM 788 N LEU A 55 -4.218 4.120 5.945 1.00 0.00 N ATOM 789 CA LEU A 55 -4.676 2.779 6.294 1.00 0.00 C ATOM 790 C LEU A 55 -3.645 2.060 7.158 1.00 0.00 C ATOM 791 O LEU A 55 -2.559 2.581 7.409 1.00 0.00 O ATOM 792 CB LEU A 55 -4.952 1.968 5.027 1.00 0.00 C ATOM 793 CG LEU A 55 -6.374 2.056 4.471 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.422 1.532 3.044 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.342 1.285 5.356 1.00 0.00 C ATOM 0 H LEU A 55 -3.419 4.141 5.312 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.599 2.873 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.259 2.295 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.728 0.921 5.233 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.676 3.103 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.441 1.602 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.759 2.127 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.100 0.491 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.349 1.359 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.043 0.238 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.329 1.705 6.362 1.00 0.00 H new ATOM 807 N MET A 56 -3.993 0.859 7.608 1.00 0.00 N ATOM 808 CA MET A 56 -3.096 0.066 8.441 1.00 0.00 C ATOM 809 C MET A 56 -2.292 -0.915 7.594 1.00 0.00 C ATOM 810 O MET A 56 -2.804 -1.951 7.172 1.00 0.00 O ATOM 811 CB MET A 56 -3.892 -0.694 9.505 1.00 0.00 C ATOM 812 CG MET A 56 -3.129 -0.898 10.804 1.00 0.00 C ATOM 813 SD MET A 56 -1.388 -1.279 10.534 1.00 0.00 S ATOM 814 CE MET A 56 -0.622 -0.284 11.811 1.00 0.00 C ATOM 0 H MET A 56 -4.889 0.414 7.410 1.00 0.00 H new ATOM 0 HA MET A 56 -2.402 0.747 8.934 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.813 -0.150 9.716 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.180 -1.666 9.106 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.210 0.002 11.413 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.591 -1.708 11.369 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.429 -0.557 11.903 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.701 0.771 11.547 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.127 -0.459 12.761 1.00 0.00 H new ATOM 824 N GLY A 57 -1.029 -0.580 7.348 1.00 0.00 N ATOM 825 CA GLY A 57 -0.175 -1.442 6.551 1.00 0.00 C ATOM 826 C GLY A 57 0.623 -2.412 7.400 1.00 0.00 C ATOM 827 O GLY A 57 0.985 -2.101 8.534 1.00 0.00 O ATOM 0 H GLY A 57 -0.582 0.272 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.787 -2.002 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.509 -0.829 5.965 1.00 0.00 H new ATOM 831 N GLU A 58 0.896 -3.591 6.850 1.00 0.00 N ATOM 832 CA GLU A 58 1.654 -4.610 7.566 1.00 0.00 C ATOM 833 C GLU A 58 2.784 -5.158 6.699 1.00 0.00 C ATOM 834 O GLU A 58 2.543 -5.869 5.723 1.00 0.00 O ATOM 835 CB GLU A 58 0.733 -5.751 8.002 1.00 0.00 C ATOM 836 CG GLU A 58 1.409 -6.767 8.907 1.00 0.00 C ATOM 837 CD GLU A 58 0.496 -7.923 9.270 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.190 -8.444 8.367 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.469 -8.305 10.459 1.00 0.00 O ATOM 0 H GLU A 58 0.604 -3.864 5.912 1.00 0.00 H new ATOM 0 HA GLU A 58 2.090 -4.146 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.130 -5.332 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.356 -6.261 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.299 -7.154 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.742 -6.271 9.819 1.00 0.00 H new ATOM 846 N ARG A 59 4.017 -4.820 7.061 1.00 0.00 N ATOM 847 CA ARG A 59 5.184 -5.276 6.316 1.00 0.00 C ATOM 848 C ARG A 59 6.350 -5.569 7.256 1.00 0.00 C ATOM 849 O ARG A 59 6.451 -4.987 8.335 1.00 0.00 O ATOM 850 CB ARG A 59 5.599 -4.226 5.284 1.00 0.00 C ATOM 851 CG ARG A 59 6.393 -4.796 4.120 1.00 0.00 C ATOM 852 CD ARG A 59 7.353 -3.767 3.543 1.00 0.00 C ATOM 853 NE ARG A 59 8.649 -3.790 4.216 1.00 0.00 N ATOM 854 CZ ARG A 59 9.477 -2.752 4.251 1.00 0.00 C ATOM 855 NH1 ARG A 59 9.145 -1.615 3.655 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.639 -2.850 4.883 1.00 0.00 N ATOM 0 H ARG A 59 4.234 -4.232 7.866 1.00 0.00 H new ATOM 0 HA ARG A 59 4.916 -6.198 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.705 -3.736 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.195 -3.459 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.952 -5.670 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.708 -5.133 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.493 -3.959 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.916 -2.773 3.633 1.00 0.00 H new ATOM 0 HE ARG A 59 8.934 -4.650 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.252 -1.536 3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.783 -0.819 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.897 -3.723 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.274 -2.052 4.909 1.00 0.00 H new ATOM 870 N GLY A 60 7.227 -6.477 6.838 1.00 0.00 N ATOM 871 CA GLY A 60 8.373 -6.832 7.655 1.00 0.00 C ATOM 872 C GLY A 60 8.011 -7.008 9.117 1.00 0.00 C ATOM 873 O GLY A 60 8.494 -6.271 9.975 1.00 0.00 O ATOM 0 H GLY A 60 7.164 -6.973 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.811 -7.756 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.135 -6.058 7.563 1.00 0.00 H new ATOM 877 N ASN A 61 7.157 -7.986 9.400 1.00 0.00 N ATOM 878 CA ASN A 61 6.729 -8.255 10.768 1.00 0.00 C ATOM 879 C ASN A 61 6.466 -6.954 11.521 1.00 0.00 C ATOM 880 O ASN A 61 6.560 -6.907 12.747 1.00 0.00 O ATOM 881 CB ASN A 61 7.788 -9.078 11.503 1.00 0.00 C ATOM 882 CG ASN A 61 7.579 -10.571 11.336 1.00 0.00 C ATOM 883 OD1 ASN A 61 6.446 -11.053 11.328 1.00 0.00 O ATOM 884 ND2 ASN A 61 8.674 -11.310 11.202 1.00 0.00 N ATOM 0 H ASN A 61 6.748 -8.605 8.700 1.00 0.00 H new ATOM 0 HA ASN A 61 5.800 -8.824 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.776 -8.808 11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.767 -8.827 12.564 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.596 -12.320 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.593 -10.867 11.215 1.00 0.00 H new ATOM 891 N GLN A 62 6.138 -5.902 10.778 1.00 0.00 N ATOM 892 CA GLN A 62 5.862 -4.602 11.376 1.00 0.00 C ATOM 893 C GLN A 62 4.506 -4.070 10.922 1.00 0.00 C ATOM 894 O GLN A 62 3.938 -4.547 9.939 1.00 0.00 O ATOM 895 CB GLN A 62 6.962 -3.605 11.010 1.00 0.00 C ATOM 896 CG GLN A 62 8.238 -3.784 11.817 1.00 0.00 C ATOM 897 CD GLN A 62 9.167 -2.590 11.712 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.749 -2.332 10.658 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.312 -1.854 12.808 1.00 0.00 N ATOM 0 H GLN A 62 6.057 -5.925 9.761 1.00 0.00 H new ATOM 0 HA GLN A 62 5.839 -4.726 12.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.195 -3.707 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.587 -2.592 11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.981 -3.949 12.863 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.759 -4.677 11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.810 -2.104 13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.925 -1.039 12.797 1.00 0.00 H new ATOM 908 N LYS A 63 3.992 -3.080 11.643 1.00 0.00 N ATOM 909 CA LYS A 63 2.704 -2.482 11.315 1.00 0.00 C ATOM 910 C LYS A 63 2.752 -0.966 11.472 1.00 0.00 C ATOM 911 O LYS A 63 3.451 -0.444 12.339 1.00 0.00 O ATOM 912 CB LYS A 63 1.606 -3.064 12.209 1.00 0.00 C ATOM 913 CG LYS A 63 1.537 -4.581 12.179 1.00 0.00 C ATOM 914 CD LYS A 63 0.527 -5.113 13.181 1.00 0.00 C ATOM 915 CE LYS A 63 -0.896 -4.992 12.656 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.286 -6.171 11.835 1.00 0.00 N ATOM 0 H LYS A 63 4.449 -2.674 12.460 1.00 0.00 H new ATOM 0 HA LYS A 63 2.478 -2.714 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.773 -2.737 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.643 -2.659 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.267 -4.914 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.521 -4.995 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.747 -6.158 13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.618 -4.564 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.585 -4.889 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.986 -4.086 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.839 -5.854 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.431 -6.664 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.861 -6.820 12.410 1.00 0.00 H new ATOM 930 N GLY A 64 2.002 -0.263 10.628 1.00 0.00 N ATOM 931 CA GLY A 64 1.973 1.186 10.691 1.00 0.00 C ATOM 932 C GLY A 64 0.937 1.786 9.761 1.00 0.00 C ATOM 933 O GLY A 64 0.146 1.066 9.152 1.00 0.00 O ATOM 0 H GLY A 64 1.414 -0.672 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.763 1.498 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.957 1.578 10.434 1.00 0.00 H new ATOM 937 N LYS A 65 0.940 3.110 9.651 1.00 0.00 N ATOM 938 CA LYS A 65 -0.006 3.809 8.789 1.00 0.00 C ATOM 939 C LYS A 65 0.538 3.930 7.369 1.00 0.00 C ATOM 940 O LYS A 65 1.746 4.053 7.165 1.00 0.00 O ATOM 941 CB LYS A 65 -0.309 5.200 9.351 1.00 0.00 C ATOM 942 CG LYS A 65 -0.783 5.183 10.794 1.00 0.00 C ATOM 943 CD LYS A 65 -1.662 6.382 11.106 1.00 0.00 C ATOM 944 CE LYS A 65 -1.028 7.678 10.624 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.528 8.857 11.385 1.00 0.00 N ATOM 0 H LYS A 65 1.588 3.721 10.148 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.928 3.228 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.588 5.815 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.071 5.674 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.338 4.264 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.079 5.179 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.635 6.254 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.835 6.438 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.055 7.612 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.240 7.814 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.072 9.720 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.558 8.935 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.303 8.740 12.394 1.00 0.00 H new ATOM 959 N VAL A 66 -0.361 3.896 6.391 1.00 0.00 N ATOM 960 CA VAL A 66 0.029 4.005 4.990 1.00 0.00 C ATOM 961 C VAL A 66 -0.893 4.955 4.235 1.00 0.00 C ATOM 962 O VAL A 66 -2.118 4.878 4.331 1.00 0.00 O ATOM 963 CB VAL A 66 0.014 2.631 4.295 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.083 1.722 4.884 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.362 1.992 4.408 1.00 0.00 C ATOM 0 H VAL A 66 -1.364 3.794 6.543 1.00 0.00 H new ATOM 0 HA VAL A 66 1.045 4.401 4.974 1.00 0.00 H new ATOM 0 HB VAL A 66 0.237 2.776 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.057 0.756 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.064 2.177 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.895 1.581 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.354 1.022 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.616 1.859 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.102 2.636 3.934 1.00 0.00 H new ATOM 975 N PRO A 67 -0.294 5.873 3.462 1.00 0.00 N ATOM 976 CA PRO A 67 -1.043 6.856 2.674 1.00 0.00 C ATOM 977 C PRO A 67 -1.786 6.216 1.506 1.00 0.00 C ATOM 978 O PRO A 67 -1.169 5.697 0.575 1.00 0.00 O ATOM 979 CB PRO A 67 0.045 7.803 2.161 1.00 0.00 C ATOM 980 CG PRO A 67 1.287 6.981 2.148 1.00 0.00 C ATOM 981 CD PRO A 67 1.162 6.023 3.299 1.00 0.00 C ATOM 0 HA PRO A 67 -1.814 7.351 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.193 8.177 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.152 8.672 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.391 6.446 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.171 7.609 2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.642 5.069 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.629 6.417 4.202 1.00 0.00 H new ATOM 989 N ILE A 68 -3.113 6.258 1.561 1.00 0.00 N ATOM 990 CA ILE A 68 -3.939 5.684 0.506 1.00 0.00 C ATOM 991 C ILE A 68 -3.584 6.275 -0.854 1.00 0.00 C ATOM 992 O ILE A 68 -3.693 5.606 -1.882 1.00 0.00 O ATOM 993 CB ILE A 68 -5.438 5.913 0.777 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.948 4.916 1.820 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.234 5.792 -0.513 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.714 5.360 3.246 1.00 0.00 C ATOM 0 H ILE A 68 -3.639 6.683 2.325 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.739 4.613 0.497 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.571 6.921 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.016 4.758 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.458 3.955 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.291 5.956 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.885 6.537 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.097 4.795 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.101 4.605 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.645 5.490 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.227 6.305 3.422 1.00 0.00 H new ATOM 1008 N THR A 69 -3.155 7.533 -0.852 1.00 0.00 N ATOM 1009 CA THR A 69 -2.783 8.215 -2.085 1.00 0.00 C ATOM 1010 C THR A 69 -1.639 7.494 -2.789 1.00 0.00 C ATOM 1011 O THR A 69 -1.403 7.697 -3.980 1.00 0.00 O ATOM 1012 CB THR A 69 -2.367 9.674 -1.817 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.721 9.773 -0.542 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.575 10.597 -1.852 1.00 0.00 C ATOM 0 H THR A 69 -3.057 8.100 -0.010 1.00 0.00 H new ATOM 0 HA THR A 69 -3.664 8.208 -2.727 1.00 0.00 H new ATOM 0 HB THR A 69 -1.674 9.980 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.458 10.703 -0.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.256 11.621 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.047 10.542 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.289 10.290 -1.088 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.932 6.650 -2.045 1.00 0.00 N ATOM 1023 CA TYR A 70 0.189 5.900 -2.598 1.00 0.00 C ATOM 1024 C TYR A 70 -0.210 4.455 -2.884 1.00 0.00 C ATOM 1025 O TYR A 70 0.510 3.722 -3.562 1.00 0.00 O ATOM 1026 CB TYR A 70 1.376 5.930 -1.633 1.00 0.00 C ATOM 1027 CG TYR A 70 2.121 7.246 -1.632 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.485 8.428 -1.273 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.463 7.307 -1.989 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.162 9.632 -1.272 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.148 8.506 -1.989 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.493 9.666 -1.630 1.00 0.00 C ATOM 1033 OH TYR A 70 4.172 10.863 -1.628 1.00 0.00 O ATOM 0 H TYR A 70 -1.116 6.468 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 70 0.480 6.371 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.019 5.723 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.068 5.130 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.443 8.405 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.979 6.401 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.652 10.542 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.191 8.536 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 70 5.100 10.713 -1.904 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.364 4.054 -2.362 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.863 2.697 -2.561 1.00 0.00 C ATOM 1045 C LEU A 71 -3.031 2.685 -3.542 1.00 0.00 C ATOM 1046 O LEU A 71 -3.846 3.607 -3.563 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.297 2.091 -1.225 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.403 2.403 -0.025 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.220 2.429 1.257 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.276 1.386 0.080 1.00 0.00 C ATOM 0 H LEU A 71 -1.972 4.648 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.055 2.097 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.306 2.439 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.351 1.009 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.963 3.389 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.567 2.653 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.991 3.196 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.689 1.457 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.350 1.624 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.697 0.388 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.327 1.416 -0.827 1.00 0.00 H new ATOM 1062 N GLU A 72 -3.107 1.632 -4.350 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.177 1.500 -5.332 1.00 0.00 C ATOM 1064 C GLU A 72 -4.954 0.204 -5.118 1.00 0.00 C ATOM 1065 O GLU A 72 -4.669 -0.816 -5.748 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.605 1.536 -6.751 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.592 1.089 -7.816 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.291 1.687 -9.177 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.231 1.358 -9.749 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -5.117 2.483 -9.670 1.00 0.00 O ATOM 0 H GLU A 72 -2.441 0.859 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.860 2.339 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.276 2.551 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.723 0.898 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.575 0.002 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.600 1.372 -7.514 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.937 0.252 -4.226 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.757 -0.918 -3.927 1.00 0.00 C ATOM 1079 C LEU A 73 -7.162 -1.640 -5.208 1.00 0.00 C ATOM 1080 O LEU A 73 -8.038 -1.181 -5.942 1.00 0.00 O ATOM 1081 CB LEU A 73 -8.004 -0.504 -3.144 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.760 0.311 -1.874 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -9.013 0.345 -1.013 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.588 -0.261 -1.090 1.00 0.00 C ATOM 0 H LEU A 73 -6.186 1.088 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.165 -1.602 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.648 0.076 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.554 -1.405 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.514 1.333 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.821 0.929 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.828 0.801 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.290 -0.671 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.429 0.332 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.805 -1.292 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.689 -0.233 -1.706 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.521 -2.774 -5.469 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.816 -3.562 -6.661 1.00 0.00 C ATOM 1098 C LEU A 74 -8.191 -4.214 -6.555 1.00 0.00 C ATOM 1099 O LEU A 74 -8.479 -4.929 -5.596 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.745 -4.635 -6.865 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.298 -4.186 -6.660 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.407 -5.379 -6.352 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.791 -3.443 -7.887 1.00 0.00 C ATOM 0 H LEU A 74 -5.794 -3.168 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.817 -2.891 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.949 -5.459 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.842 -5.029 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.267 -3.506 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.381 -5.040 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.757 -5.869 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.444 -6.084 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.760 -3.131 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.838 -4.100 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.412 -2.565 -8.063 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.037 -3.965 -7.550 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.381 -4.529 -7.570 1.00 0.00 C ATOM 1117 C ASN A 75 -10.489 -5.643 -8.607 1.00 0.00 C ATOM 1118 O ASN A 75 -10.390 -5.397 -9.809 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.411 -3.437 -7.870 1.00 0.00 C ATOM 1120 CG ASN A 75 -12.684 -3.994 -8.477 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -12.857 -3.991 -9.695 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -13.583 -4.475 -7.626 1.00 0.00 N ATOM 0 H ASN A 75 -8.815 -3.376 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.585 -4.952 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.653 -2.907 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.975 -2.708 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.460 -4.862 -7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.397 -4.457 -6.623 1.00 0.00 H new ATOM 1129 N SER A 76 -10.692 -6.868 -8.133 1.00 0.00 N ATOM 1130 CA SER A 76 -10.810 -8.020 -9.019 1.00 0.00 C ATOM 1131 C SER A 76 -12.057 -8.835 -8.687 1.00 0.00 C ATOM 1132 O SER A 76 -12.512 -8.856 -7.545 1.00 0.00 O ATOM 1133 CB SER A 76 -9.566 -8.904 -8.909 1.00 0.00 C ATOM 1134 OG SER A 76 -9.452 -9.465 -7.612 1.00 0.00 O ATOM 0 H SER A 76 -10.778 -7.088 -7.141 1.00 0.00 H new ATOM 0 HA SER A 76 -10.898 -7.653 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.616 -9.701 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.677 -8.315 -9.133 1.00 0.00 H new ATOM 0 HG SER A 76 -8.650 -10.027 -7.568 1.00 0.00 H new ATOM 1140 N GLY A 77 -12.604 -9.504 -9.698 1.00 0.00 N ATOM 1141 CA GLY A 77 -13.793 -10.311 -9.495 1.00 0.00 C ATOM 1142 C GLY A 77 -13.479 -11.665 -8.890 1.00 0.00 C ATOM 1143 O GLY A 77 -12.414 -12.239 -9.120 1.00 0.00 O ATOM 0 H GLY A 77 -12.245 -9.501 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.484 -9.777 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.300 -10.452 -10.450 1.00 0.00 H new ATOM 1147 N PRO A 78 -14.421 -12.196 -8.096 1.00 0.00 N ATOM 1148 CA PRO A 78 -14.261 -13.497 -7.440 1.00 0.00 C ATOM 1149 C PRO A 78 -14.304 -14.655 -8.430 1.00 0.00 C ATOM 1150 O PRO A 78 -15.306 -14.863 -9.114 1.00 0.00 O ATOM 1151 CB PRO A 78 -15.458 -13.563 -6.487 1.00 0.00 C ATOM 1152 CG PRO A 78 -16.480 -12.670 -7.101 1.00 0.00 C ATOM 1153 CD PRO A 78 -15.714 -11.568 -7.779 1.00 0.00 C ATOM 0 HA PRO A 78 -13.296 -13.586 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.831 -14.583 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.187 -13.225 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.095 -13.215 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.153 -12.268 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.222 -11.219 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.592 -10.703 -7.127 1.00 0.00 H new ATOM 1161 N SER A 79 -13.211 -15.407 -8.502 1.00 0.00 N ATOM 1162 CA SER A 79 -13.123 -16.544 -9.412 1.00 0.00 C ATOM 1163 C SER A 79 -12.725 -17.811 -8.662 1.00 0.00 C ATOM 1164 O SER A 79 -11.561 -18.212 -8.672 1.00 0.00 O ATOM 1165 CB SER A 79 -12.111 -16.257 -10.524 1.00 0.00 C ATOM 1166 OG SER A 79 -12.676 -15.429 -11.526 1.00 0.00 O ATOM 0 H SER A 79 -12.374 -15.250 -7.941 1.00 0.00 H new ATOM 0 HA SER A 79 -14.106 -16.699 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.230 -15.773 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.778 -17.195 -10.968 1.00 0.00 H new ATOM 0 HG SER A 79 -12.009 -15.259 -12.224 1.00 0.00 H new ATOM 1172 N SER A 80 -13.700 -18.437 -8.012 1.00 0.00 N ATOM 1173 CA SER A 80 -13.452 -19.657 -7.253 1.00 0.00 C ATOM 1174 C SER A 80 -14.763 -20.356 -6.905 1.00 0.00 C ATOM 1175 O SER A 80 -15.846 -19.809 -7.112 1.00 0.00 O ATOM 1176 CB SER A 80 -12.676 -19.338 -5.973 1.00 0.00 C ATOM 1177 OG SER A 80 -13.383 -18.413 -5.165 1.00 0.00 O ATOM 0 H SER A 80 -14.669 -18.120 -7.996 1.00 0.00 H new ATOM 0 HA SER A 80 -12.856 -20.327 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.501 -20.256 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.698 -18.929 -6.229 1.00 0.00 H new ATOM 0 HG SER A 80 -12.867 -18.227 -4.353 1.00 0.00 H new ATOM 1183 N GLY A 81 -14.656 -21.571 -6.374 1.00 0.00 N ATOM 1184 CA GLY A 81 -15.840 -22.326 -6.005 1.00 0.00 C ATOM 1185 C GLY A 81 -15.696 -23.009 -4.660 1.00 0.00 C ATOM 1186 O GLY A 81 -16.686 -23.430 -4.061 1.00 0.00 O ATOM 0 H GLY A 81 -13.771 -22.045 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.700 -21.657 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.042 -23.076 -6.770 1.00 0.00 H new TER 1190 GLY A 81