USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 24 LYS NZ :NH3+ -116:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.562 K(o=1.7,f=-4.7) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= -0.866 USER MOD Set 2.2: A 37 GLN : amide:sc= -6.38! C(o=-7.3!,f=-9.5!) USER MOD Set 3.1: A 22 ASN : amide:sc= -0.189 K(o=0.61,f=-4.1!) USER MOD Set 3.2: A 44 ASN :FLIP amide:sc= 0.798 F(o=-0.89,f=0.61) USER MOD Set 4.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=-0.0038) USER MOD Single : A 1 LYS N :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.411 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc=-0.00502 (180deg=-0.177) USER MOD Single : A 30 ASN : amide:sc= -0.835 K(o=-0.84,f=-1.7) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.51! F(o=-2.5,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc=0.000255 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.67 F(o=-3.3!,f=-0.67) USER MOD Single : A 48 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.2!) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.0994 (180deg=-0.578) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.971) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0247 F(o=-1.6!,f=-0.025) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.713 K(o=0.71,f=-1.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.687 -2.691 -8.917 1.00 73.14 N ATOM 2 CA LYS A 1 -21.446 -4.038 -9.424 1.00 2.51 C ATOM 3 C LYS A 1 -20.548 -4.766 -8.455 1.00 13.20 C ATOM 4 O LYS A 1 -19.578 -4.189 -7.971 1.00 45.33 O ATOM 5 CB LYS A 1 -20.759 -3.986 -10.801 1.00 41.33 C ATOM 6 CG LYS A 1 -21.555 -3.269 -11.874 1.00 11.13 C ATOM 7 CD LYS A 1 -20.813 -3.252 -13.196 1.00 71.15 C ATOM 8 CE LYS A 1 -21.633 -2.556 -14.264 1.00 71.12 C ATOM 9 NZ LYS A 1 -20.907 -2.443 -15.548 1.00 15.14 N ATOM 0 H1 LYS A 1 -22.422 -2.230 -9.491 1.00 73.14 H new ATOM 0 H2 LYS A 1 -22.003 -2.744 -7.927 1.00 73.14 H new ATOM 0 H3 LYS A 1 -20.808 -2.137 -8.971 1.00 73.14 H new ATOM 0 HA LYS A 1 -22.400 -4.554 -9.528 1.00 2.51 H new ATOM 0 HB2 LYS A 1 -19.793 -3.493 -10.693 1.00 41.33 H new ATOM 0 HB3 LYS A 1 -20.561 -5.005 -11.133 1.00 41.33 H new ATOM 0 HG2 LYS A 1 -22.519 -3.760 -12.003 1.00 11.13 H new ATOM 0 HG3 LYS A 1 -21.758 -2.246 -11.556 1.00 11.13 H new ATOM 0 HD2 LYS A 1 -19.857 -2.742 -13.075 1.00 71.15 H new ATOM 0 HD3 LYS A 1 -20.593 -4.273 -13.508 1.00 71.15 H new ATOM 0 HE2 LYS A 1 -22.561 -3.106 -14.422 1.00 71.12 H new ATOM 0 HE3 LYS A 1 -21.908 -1.560 -13.916 1.00 71.12 H new ATOM 0 HZ1 LYS A 1 -21.509 -1.960 -16.246 1.00 15.14 H new ATOM 0 HZ2 LYS A 1 -20.034 -1.896 -15.406 1.00 15.14 H new ATOM 0 HZ3 LYS A 1 -20.667 -3.393 -15.896 1.00 15.14 H new ATOM 25 N PRO A 2 -20.845 -6.026 -8.133 1.00 72.43 N ATOM 26 CA PRO A 2 -20.008 -6.793 -7.254 1.00 12.20 C ATOM 27 C PRO A 2 -18.803 -7.339 -8.011 1.00 62.41 C ATOM 28 O PRO A 2 -18.855 -7.541 -9.240 1.00 63.22 O ATOM 29 CB PRO A 2 -20.914 -7.926 -6.766 1.00 41.14 C ATOM 30 CG PRO A 2 -21.975 -8.077 -7.806 1.00 44.25 C ATOM 31 CD PRO A 2 -22.010 -6.797 -8.614 1.00 54.21 C ATOM 0 HA PRO A 2 -19.607 -6.204 -6.429 1.00 12.20 H new ATOM 0 HB2 PRO A 2 -20.351 -8.852 -6.645 1.00 41.14 H new ATOM 0 HB3 PRO A 2 -21.349 -7.688 -5.795 1.00 41.14 H new ATOM 0 HG2 PRO A 2 -21.761 -8.930 -8.450 1.00 44.25 H new ATOM 0 HG3 PRO A 2 -22.943 -8.263 -7.341 1.00 44.25 H new ATOM 0 HD2 PRO A 2 -21.938 -7.000 -9.683 1.00 54.21 H new ATOM 0 HD3 PRO A 2 -22.940 -6.252 -8.455 1.00 54.21 H new ATOM 39 N VAL A 3 -17.731 -7.545 -7.316 1.00 14.31 N ATOM 40 CA VAL A 3 -16.535 -8.071 -7.931 1.00 10.23 C ATOM 41 C VAL A 3 -16.356 -9.517 -7.552 1.00 5.22 C ATOM 42 O VAL A 3 -15.443 -10.185 -8.053 1.00 63.03 O ATOM 43 CB VAL A 3 -15.262 -7.272 -7.525 1.00 71.05 C ATOM 44 CG1 VAL A 3 -15.378 -5.817 -7.949 1.00 22.31 C ATOM 45 CG2 VAL A 3 -15.009 -7.373 -6.024 1.00 72.52 C ATOM 0 H VAL A 3 -17.650 -7.359 -6.316 1.00 14.31 H new ATOM 0 HA VAL A 3 -16.660 -7.976 -9.010 1.00 10.23 H new ATOM 0 HB VAL A 3 -14.411 -7.713 -8.044 1.00 71.05 H new ATOM 0 HG11 VAL A 3 -14.477 -5.279 -7.654 1.00 22.31 H new ATOM 0 HG12 VAL A 3 -15.496 -5.762 -9.031 1.00 22.31 H new ATOM 0 HG13 VAL A 3 -16.244 -5.365 -7.466 1.00 22.31 H new ATOM 0 HG21 VAL A 3 -14.114 -6.806 -5.767 1.00 72.52 H new ATOM 0 HG22 VAL A 3 -15.864 -6.967 -5.483 1.00 72.52 H new ATOM 0 HG23 VAL A 3 -14.868 -8.418 -5.748 1.00 72.52 H new ATOM 55 N SER A 4 -17.260 -9.995 -6.680 1.00 63.21 N ATOM 56 CA SER A 4 -17.203 -11.328 -6.112 1.00 74.40 C ATOM 57 C SER A 4 -16.008 -11.398 -5.172 1.00 54.35 C ATOM 58 O SER A 4 -14.855 -11.487 -5.607 1.00 0.33 O ATOM 59 CB SER A 4 -17.150 -12.417 -7.212 1.00 71.42 C ATOM 60 OG SER A 4 -17.092 -13.732 -6.672 1.00 43.22 O ATOM 0 H SER A 4 -18.057 -9.449 -6.353 1.00 63.21 H new ATOM 0 HA SER A 4 -18.114 -11.527 -5.547 1.00 74.40 H new ATOM 0 HB2 SER A 4 -18.029 -12.328 -7.850 1.00 71.42 H new ATOM 0 HB3 SER A 4 -16.279 -12.248 -7.845 1.00 71.42 H new ATOM 0 HG SER A 4 -17.062 -14.385 -7.403 1.00 43.22 H new ATOM 66 N LEU A 5 -16.276 -11.305 -3.893 1.00 14.10 N ATOM 67 CA LEU A 5 -15.231 -11.263 -2.916 1.00 15.41 C ATOM 68 C LEU A 5 -14.651 -12.624 -2.627 1.00 63.34 C ATOM 69 O LEU A 5 -15.060 -13.329 -1.703 1.00 62.33 O ATOM 70 CB LEU A 5 -15.643 -10.537 -1.632 1.00 72.20 C ATOM 71 CG LEU A 5 -15.985 -9.049 -1.766 1.00 50.32 C ATOM 72 CD1 LEU A 5 -16.370 -8.476 -0.417 1.00 31.22 C ATOM 73 CD2 LEU A 5 -14.816 -8.268 -2.358 1.00 22.33 C ATOM 0 H LEU A 5 -17.219 -11.257 -3.508 1.00 14.10 H new ATOM 0 HA LEU A 5 -14.435 -10.670 -3.366 1.00 15.41 H new ATOM 0 HB2 LEU A 5 -16.509 -11.050 -1.214 1.00 72.20 H new ATOM 0 HB3 LEU A 5 -14.833 -10.637 -0.909 1.00 72.20 H new ATOM 0 HG LEU A 5 -16.832 -8.956 -2.445 1.00 50.32 H new ATOM 0 HD11 LEU A 5 -16.611 -7.418 -0.526 1.00 31.22 H new ATOM 0 HD12 LEU A 5 -17.239 -9.008 -0.030 1.00 31.22 H new ATOM 0 HD13 LEU A 5 -15.537 -8.589 0.277 1.00 31.22 H new ATOM 0 HD21 LEU A 5 -15.087 -7.215 -2.442 1.00 22.33 H new ATOM 0 HD22 LEU A 5 -13.946 -8.368 -1.709 1.00 22.33 H new ATOM 0 HD23 LEU A 5 -14.579 -8.661 -3.347 1.00 22.33 H new ATOM 85 N SER A 6 -13.778 -13.010 -3.476 1.00 52.33 N ATOM 86 CA SER A 6 -13.001 -14.186 -3.299 1.00 4.31 C ATOM 87 C SER A 6 -11.538 -13.800 -3.317 1.00 51.21 C ATOM 88 O SER A 6 -10.917 -13.697 -4.387 1.00 31.30 O ATOM 89 CB SER A 6 -13.343 -15.247 -4.356 1.00 61.02 C ATOM 90 OG SER A 6 -13.187 -14.743 -5.682 1.00 11.32 O ATOM 0 H SER A 6 -13.574 -12.507 -4.339 1.00 52.33 H new ATOM 0 HA SER A 6 -13.231 -14.644 -2.337 1.00 4.31 H new ATOM 0 HB2 SER A 6 -12.700 -16.117 -4.220 1.00 61.02 H new ATOM 0 HB3 SER A 6 -14.370 -15.584 -4.214 1.00 61.02 H new ATOM 0 HG SER A 6 -12.369 -14.206 -5.734 1.00 11.32 H new ATOM 96 N TYR A 7 -10.999 -13.525 -2.152 1.00 71.23 N ATOM 97 CA TYR A 7 -9.656 -13.040 -2.068 1.00 42.11 C ATOM 98 C TYR A 7 -8.921 -13.637 -0.909 1.00 63.22 C ATOM 99 O TYR A 7 -9.522 -14.220 -0.007 1.00 62.12 O ATOM 100 CB TYR A 7 -9.628 -11.493 -2.015 1.00 10.53 C ATOM 101 CG TYR A 7 -10.342 -10.848 -0.831 1.00 40.04 C ATOM 102 CD1 TYR A 7 -11.694 -10.535 -0.885 1.00 53.23 C ATOM 103 CD2 TYR A 7 -9.647 -10.525 0.328 1.00 74.33 C ATOM 104 CE1 TYR A 7 -12.329 -9.925 0.182 1.00 40.24 C ATOM 105 CE2 TYR A 7 -10.277 -9.920 1.399 1.00 73.41 C ATOM 106 CZ TYR A 7 -11.617 -9.619 1.318 1.00 63.21 C ATOM 107 OH TYR A 7 -12.249 -9.004 2.377 1.00 70.55 O ATOM 0 H TYR A 7 -11.475 -13.631 -1.256 1.00 71.23 H new ATOM 0 HA TYR A 7 -9.137 -13.355 -2.973 1.00 42.11 H new ATOM 0 HB2 TYR A 7 -8.587 -11.169 -2.006 1.00 10.53 H new ATOM 0 HB3 TYR A 7 -10.073 -11.110 -2.934 1.00 10.53 H new ATOM 0 HD1 TYR A 7 -12.259 -10.772 -1.775 1.00 53.23 H new ATOM 0 HD2 TYR A 7 -8.593 -10.751 0.393 1.00 74.33 H new ATOM 0 HE1 TYR A 7 -13.381 -9.690 0.123 1.00 40.24 H new ATOM 0 HE2 TYR A 7 -9.721 -9.685 2.294 1.00 73.41 H new ATOM 0 HH TYR A 7 -11.606 -8.858 3.102 1.00 70.55 H new ATOM 117 N ARG A 8 -7.632 -13.494 -0.946 1.00 55.01 N ATOM 118 CA ARG A 8 -6.765 -13.990 0.087 1.00 0.35 C ATOM 119 C ARG A 8 -5.758 -12.919 0.469 1.00 45.43 C ATOM 120 O ARG A 8 -4.845 -13.150 1.253 1.00 63.53 O ATOM 121 CB ARG A 8 -6.029 -15.300 -0.333 1.00 33.32 C ATOM 122 CG ARG A 8 -5.149 -15.216 -1.597 1.00 0.54 C ATOM 123 CD ARG A 8 -5.978 -15.162 -2.873 1.00 4.22 C ATOM 124 NE ARG A 8 -5.162 -14.963 -4.064 1.00 52.35 N ATOM 125 CZ ARG A 8 -5.611 -15.060 -5.322 1.00 32.25 C ATOM 126 NH1 ARG A 8 -6.868 -15.413 -5.561 1.00 54.34 N ATOM 127 NH2 ARG A 8 -4.795 -14.809 -6.338 1.00 0.52 N ATOM 0 H ARG A 8 -7.141 -13.022 -1.706 1.00 55.01 H new ATOM 0 HA ARG A 8 -7.386 -14.236 0.948 1.00 0.35 H new ATOM 0 HB2 ARG A 8 -5.403 -15.622 0.499 1.00 33.32 H new ATOM 0 HB3 ARG A 8 -6.777 -16.078 -0.488 1.00 33.32 H new ATOM 0 HG2 ARG A 8 -4.517 -14.330 -1.539 1.00 0.54 H new ATOM 0 HG3 ARG A 8 -4.485 -16.080 -1.633 1.00 0.54 H new ATOM 0 HD2 ARG A 8 -6.542 -16.089 -2.975 1.00 4.22 H new ATOM 0 HD3 ARG A 8 -6.705 -14.353 -2.796 1.00 4.22 H new ATOM 0 HE ARG A 8 -4.177 -14.733 -3.930 1.00 52.35 H new ATOM 0 HH11 ARG A 8 -7.498 -15.612 -4.784 1.00 54.34 H new ATOM 0 HH12 ARG A 8 -7.204 -15.485 -6.521 1.00 54.34 H new ATOM 0 HH21 ARG A 8 -3.827 -14.542 -6.160 1.00 0.52 H new ATOM 0 HH22 ARG A 8 -5.136 -14.883 -7.296 1.00 0.52 H new ATOM 141 N CYS A 9 -5.936 -11.749 -0.059 1.00 70.24 N ATOM 142 CA CYS A 9 -5.019 -10.687 0.214 1.00 74.11 C ATOM 143 C CYS A 9 -5.717 -9.638 1.071 1.00 42.41 C ATOM 144 O CYS A 9 -6.886 -9.346 0.847 1.00 21.43 O ATOM 145 CB CYS A 9 -4.557 -10.092 -1.121 1.00 13.35 C ATOM 146 SG CYS A 9 -3.921 -11.351 -2.302 1.00 74.11 S ATOM 0 H CYS A 9 -6.707 -11.505 -0.681 1.00 70.24 H new ATOM 0 HA CYS A 9 -4.148 -11.051 0.759 1.00 74.11 H new ATOM 0 HB2 CYS A 9 -5.390 -9.561 -1.581 1.00 13.35 H new ATOM 0 HB3 CYS A 9 -3.776 -9.356 -0.931 1.00 13.35 H new ATOM 151 N PRO A 10 -5.006 -9.079 2.091 1.00 24.30 N ATOM 152 CA PRO A 10 -5.544 -8.021 2.980 1.00 24.32 C ATOM 153 C PRO A 10 -6.188 -6.862 2.213 1.00 43.22 C ATOM 154 O PRO A 10 -7.198 -6.297 2.646 1.00 35.31 O ATOM 155 CB PRO A 10 -4.318 -7.528 3.737 1.00 33.04 C ATOM 156 CG PRO A 10 -3.354 -8.664 3.722 1.00 65.14 C ATOM 157 CD PRO A 10 -3.659 -9.501 2.502 1.00 24.54 C ATOM 0 HA PRO A 10 -6.336 -8.410 3.619 1.00 24.32 H new ATOM 0 HB2 PRO A 10 -3.891 -6.646 3.260 1.00 33.04 H new ATOM 0 HB3 PRO A 10 -4.575 -7.246 4.758 1.00 33.04 H new ATOM 0 HG2 PRO A 10 -2.328 -8.296 3.688 1.00 65.14 H new ATOM 0 HG3 PRO A 10 -3.449 -9.260 4.630 1.00 65.14 H new ATOM 0 HD2 PRO A 10 -2.930 -9.328 1.710 1.00 24.54 H new ATOM 0 HD3 PRO A 10 -3.631 -10.566 2.734 1.00 24.54 H new ATOM 165 N CYS A 11 -5.600 -6.510 1.105 1.00 14.22 N ATOM 166 CA CYS A 11 -6.143 -5.492 0.261 1.00 12.22 C ATOM 167 C CYS A 11 -6.602 -6.121 -1.022 1.00 54.34 C ATOM 168 O CYS A 11 -5.801 -6.666 -1.771 1.00 71.45 O ATOM 169 CB CYS A 11 -5.123 -4.388 -0.018 1.00 24.02 C ATOM 170 SG CYS A 11 -4.568 -3.484 1.464 1.00 23.05 S ATOM 0 H CYS A 11 -4.731 -6.922 0.764 1.00 14.22 H new ATOM 0 HA CYS A 11 -6.987 -5.026 0.770 1.00 12.22 H new ATOM 0 HB2 CYS A 11 -4.254 -4.828 -0.507 1.00 24.02 H new ATOM 0 HB3 CYS A 11 -5.558 -3.677 -0.721 1.00 24.02 H new ATOM 175 N ARG A 12 -7.887 -6.091 -1.249 1.00 51.23 N ATOM 176 CA ARG A 12 -8.449 -6.641 -2.460 1.00 53.44 C ATOM 177 C ARG A 12 -8.396 -5.537 -3.518 1.00 63.33 C ATOM 178 O ARG A 12 -8.244 -5.788 -4.718 1.00 1.45 O ATOM 179 CB ARG A 12 -9.909 -7.112 -2.181 1.00 75.51 C ATOM 180 CG ARG A 12 -10.571 -8.014 -3.254 1.00 21.41 C ATOM 181 CD ARG A 12 -10.793 -7.324 -4.585 1.00 24.43 C ATOM 182 NE ARG A 12 -11.385 -8.217 -5.579 1.00 43.44 N ATOM 183 CZ ARG A 12 -11.378 -7.997 -6.899 1.00 15.33 C ATOM 184 NH1 ARG A 12 -10.728 -6.944 -7.397 1.00 14.55 N ATOM 185 NH2 ARG A 12 -11.991 -8.849 -7.715 1.00 72.31 N ATOM 0 H ARG A 12 -8.572 -5.689 -0.608 1.00 51.23 H new ATOM 0 HA ARG A 12 -7.893 -7.509 -2.814 1.00 53.44 H new ATOM 0 HB2 ARG A 12 -9.917 -7.650 -1.233 1.00 75.51 H new ATOM 0 HB3 ARG A 12 -10.532 -6.227 -2.050 1.00 75.51 H new ATOM 0 HG2 ARG A 12 -9.946 -8.893 -3.411 1.00 21.41 H new ATOM 0 HG3 ARG A 12 -11.530 -8.368 -2.875 1.00 21.41 H new ATOM 0 HD2 ARG A 12 -11.444 -6.462 -4.441 1.00 24.43 H new ATOM 0 HD3 ARG A 12 -9.842 -6.946 -4.959 1.00 24.43 H new ATOM 0 HE ARG A 12 -11.835 -9.068 -5.243 1.00 43.44 H new ATOM 0 HH11 ARG A 12 -10.236 -6.306 -6.772 1.00 14.55 H new ATOM 0 HH12 ARG A 12 -10.723 -6.777 -8.403 1.00 14.55 H new ATOM 0 HH21 ARG A 12 -12.465 -9.668 -7.335 1.00 72.31 H new ATOM 0 HH22 ARG A 12 -11.987 -8.684 -8.721 1.00 72.31 H new ATOM 199 N PHE A 13 -8.495 -4.318 -3.052 1.00 0.54 N ATOM 200 CA PHE A 13 -8.466 -3.172 -3.913 1.00 50.50 C ATOM 201 C PHE A 13 -7.263 -2.328 -3.604 1.00 64.42 C ATOM 202 O PHE A 13 -6.867 -2.184 -2.443 1.00 73.10 O ATOM 203 CB PHE A 13 -9.739 -2.338 -3.775 1.00 53.54 C ATOM 204 CG PHE A 13 -10.997 -3.056 -4.170 1.00 14.23 C ATOM 205 CD1 PHE A 13 -11.393 -3.103 -5.494 1.00 40.40 C ATOM 206 CD2 PHE A 13 -11.786 -3.672 -3.216 1.00 11.30 C ATOM 207 CE1 PHE A 13 -12.553 -3.751 -5.859 1.00 63.23 C ATOM 208 CE2 PHE A 13 -12.947 -4.324 -3.574 1.00 51.43 C ATOM 209 CZ PHE A 13 -13.330 -4.362 -4.898 1.00 43.41 C ATOM 0 H PHE A 13 -8.598 -4.096 -2.062 1.00 0.54 H new ATOM 0 HA PHE A 13 -8.406 -3.526 -4.942 1.00 50.50 H new ATOM 0 HB2 PHE A 13 -9.833 -2.009 -2.740 1.00 53.54 H new ATOM 0 HB3 PHE A 13 -9.639 -1.441 -4.387 1.00 53.54 H new ATOM 0 HD1 PHE A 13 -10.787 -2.627 -6.250 1.00 40.40 H new ATOM 0 HD2 PHE A 13 -11.489 -3.642 -2.178 1.00 11.30 H new ATOM 0 HE1 PHE A 13 -12.853 -3.780 -6.896 1.00 63.23 H new ATOM 0 HE2 PHE A 13 -13.554 -4.803 -2.820 1.00 51.43 H new ATOM 0 HZ PHE A 13 -14.239 -4.871 -5.182 1.00 43.41 H new ATOM 219 N PHE A 14 -6.683 -1.795 -4.627 1.00 44.31 N ATOM 220 CA PHE A 14 -5.531 -0.969 -4.524 1.00 15.14 C ATOM 221 C PHE A 14 -5.764 0.347 -5.228 1.00 22.12 C ATOM 222 O PHE A 14 -6.500 0.424 -6.213 1.00 53.01 O ATOM 223 CB PHE A 14 -4.321 -1.654 -5.144 1.00 24.12 C ATOM 224 CG PHE A 14 -3.879 -2.890 -4.433 1.00 21.05 C ATOM 225 CD1 PHE A 14 -3.161 -2.787 -3.270 1.00 32.01 C ATOM 226 CD2 PHE A 14 -4.164 -4.147 -4.932 1.00 43.32 C ATOM 227 CE1 PHE A 14 -2.725 -3.895 -2.607 1.00 44.25 C ATOM 228 CE2 PHE A 14 -3.733 -5.278 -4.270 1.00 41.12 C ATOM 229 CZ PHE A 14 -3.009 -5.150 -3.100 1.00 71.23 C ATOM 0 H PHE A 14 -7.008 -1.927 -5.585 1.00 44.31 H new ATOM 0 HA PHE A 14 -5.341 -0.790 -3.466 1.00 15.14 H new ATOM 0 HB2 PHE A 14 -4.553 -1.908 -6.178 1.00 24.12 H new ATOM 0 HB3 PHE A 14 -3.492 -0.947 -5.168 1.00 24.12 H new ATOM 0 HD1 PHE A 14 -2.936 -1.809 -2.871 1.00 32.01 H new ATOM 0 HD2 PHE A 14 -4.729 -4.245 -5.847 1.00 43.32 H new ATOM 0 HE1 PHE A 14 -2.157 -3.789 -1.695 1.00 44.25 H new ATOM 0 HE2 PHE A 14 -3.960 -6.258 -4.664 1.00 41.12 H new ATOM 0 HZ PHE A 14 -2.667 -6.029 -2.574 1.00 71.23 H new ATOM 239 N GLU A 15 -5.176 1.364 -4.707 1.00 52.31 N ATOM 240 CA GLU A 15 -5.197 2.658 -5.291 1.00 61.43 C ATOM 241 C GLU A 15 -3.823 2.897 -5.912 1.00 61.42 C ATOM 242 O GLU A 15 -2.808 2.460 -5.374 1.00 44.41 O ATOM 243 CB GLU A 15 -5.536 3.723 -4.211 1.00 72.31 C ATOM 244 CG GLU A 15 -5.523 5.169 -4.702 1.00 2.21 C ATOM 245 CD GLU A 15 -6.439 5.416 -5.871 1.00 42.41 C ATOM 246 OE1 GLU A 15 -6.040 5.095 -7.003 1.00 71.14 O ATOM 247 OE2 GLU A 15 -7.534 5.969 -5.689 1.00 64.43 O ATOM 0 H GLU A 15 -4.650 1.317 -3.834 1.00 52.31 H new ATOM 0 HA GLU A 15 -5.964 2.735 -6.061 1.00 61.43 H new ATOM 0 HB2 GLU A 15 -6.522 3.503 -3.803 1.00 72.31 H new ATOM 0 HB3 GLU A 15 -4.823 3.627 -3.392 1.00 72.31 H new ATOM 0 HG2 GLU A 15 -5.810 5.826 -3.881 1.00 2.21 H new ATOM 0 HG3 GLU A 15 -4.506 5.439 -4.985 1.00 2.21 H new ATOM 254 N SER A 16 -3.792 3.540 -7.031 1.00 4.14 N ATOM 255 CA SER A 16 -2.554 3.796 -7.719 1.00 64.11 C ATOM 256 C SER A 16 -2.344 5.295 -7.878 1.00 42.24 C ATOM 257 O SER A 16 -1.357 5.751 -8.446 1.00 25.21 O ATOM 258 CB SER A 16 -2.588 3.095 -9.077 1.00 12.40 C ATOM 259 OG SER A 16 -3.748 3.481 -9.811 1.00 54.45 O ATOM 0 H SER A 16 -4.620 3.906 -7.501 1.00 4.14 H new ATOM 0 HA SER A 16 -1.717 3.404 -7.140 1.00 64.11 H new ATOM 0 HB2 SER A 16 -1.692 3.346 -9.644 1.00 12.40 H new ATOM 0 HB3 SER A 16 -2.584 2.014 -8.935 1.00 12.40 H new ATOM 0 HG SER A 16 -3.753 3.025 -10.678 1.00 54.45 H new ATOM 265 N HIS A 17 -3.279 6.051 -7.355 1.00 1.24 N ATOM 266 CA HIS A 17 -3.264 7.497 -7.482 1.00 33.11 C ATOM 267 C HIS A 17 -2.753 8.192 -6.232 1.00 24.31 C ATOM 268 O HIS A 17 -2.954 9.391 -6.064 1.00 62.12 O ATOM 269 CB HIS A 17 -4.659 8.017 -7.848 1.00 3.23 C ATOM 270 CG HIS A 17 -5.105 7.646 -9.224 1.00 13.32 C ATOM 271 ND1 HIS A 17 -5.241 8.560 -10.230 1.00 2.41 N ATOM 272 CD2 HIS A 17 -5.455 6.464 -9.745 1.00 10.22 C ATOM 273 CE1 HIS A 17 -5.657 7.957 -11.319 1.00 0.41 C ATOM 274 NE2 HIS A 17 -5.796 6.675 -11.054 1.00 22.43 N ATOM 0 H HIS A 17 -4.073 5.686 -6.829 1.00 1.24 H new ATOM 0 HA HIS A 17 -2.566 7.735 -8.285 1.00 33.11 H new ATOM 0 HB2 HIS A 17 -5.380 7.631 -7.127 1.00 3.23 H new ATOM 0 HB3 HIS A 17 -4.666 9.103 -7.755 1.00 3.23 H new ATOM 0 HD2 HIS A 17 -5.466 5.516 -9.227 1.00 10.22 H new ATOM 0 HE1 HIS A 17 -5.852 8.431 -12.270 1.00 0.41 H new ATOM 0 HE2 HIS A 17 -6.105 5.960 -11.712 1.00 22.43 H new ATOM 283 N VAL A 18 -2.079 7.472 -5.366 1.00 52.02 N ATOM 284 CA VAL A 18 -1.536 8.106 -4.175 1.00 65.25 C ATOM 285 C VAL A 18 -0.113 8.598 -4.456 1.00 72.51 C ATOM 286 O VAL A 18 0.682 7.894 -5.093 1.00 23.34 O ATOM 287 CB VAL A 18 -1.564 7.170 -2.940 1.00 65.12 C ATOM 288 CG1 VAL A 18 -1.031 7.879 -1.708 1.00 11.44 C ATOM 289 CG2 VAL A 18 -2.974 6.686 -2.681 1.00 74.21 C ATOM 0 H VAL A 18 -1.894 6.473 -5.453 1.00 52.02 H new ATOM 0 HA VAL A 18 -2.173 8.957 -3.932 1.00 65.25 H new ATOM 0 HB VAL A 18 -0.923 6.314 -3.152 1.00 65.12 H new ATOM 0 HG11 VAL A 18 -1.062 7.200 -0.856 1.00 11.44 H new ATOM 0 HG12 VAL A 18 -0.002 8.193 -1.885 1.00 11.44 H new ATOM 0 HG13 VAL A 18 -1.646 8.754 -1.497 1.00 11.44 H new ATOM 0 HG21 VAL A 18 -2.979 6.029 -1.811 1.00 74.21 H new ATOM 0 HG22 VAL A 18 -3.624 7.541 -2.494 1.00 74.21 H new ATOM 0 HG23 VAL A 18 -3.336 6.138 -3.551 1.00 74.21 H new ATOM 299 N ALA A 19 0.180 9.798 -4.020 1.00 65.24 N ATOM 300 CA ALA A 19 1.466 10.421 -4.244 1.00 13.42 C ATOM 301 C ALA A 19 2.298 10.366 -2.997 1.00 72.34 C ATOM 302 O ALA A 19 1.785 10.609 -1.903 1.00 0.44 O ATOM 303 CB ALA A 19 1.274 11.870 -4.630 1.00 44.43 C ATOM 0 H ALA A 19 -0.473 10.378 -3.494 1.00 65.24 H new ATOM 0 HA ALA A 19 1.972 9.883 -5.045 1.00 13.42 H new ATOM 0 HB1 ALA A 19 2.246 12.334 -4.797 1.00 44.43 H new ATOM 0 HB2 ALA A 19 0.682 11.928 -5.544 1.00 44.43 H new ATOM 0 HB3 ALA A 19 0.755 12.395 -3.828 1.00 44.43 H new ATOM 309 N ARG A 20 3.591 10.091 -3.158 1.00 61.22 N ATOM 310 CA ARG A 20 4.536 10.021 -2.038 1.00 73.20 C ATOM 311 C ARG A 20 4.545 11.325 -1.226 1.00 41.02 C ATOM 312 O ARG A 20 4.762 11.313 -0.013 1.00 2.43 O ATOM 313 CB ARG A 20 5.948 9.708 -2.546 1.00 44.24 C ATOM 314 CG ARG A 20 7.032 9.755 -1.481 1.00 33.12 C ATOM 315 CD ARG A 20 8.402 9.527 -2.074 1.00 11.23 C ATOM 316 NE ARG A 20 9.448 9.845 -1.107 1.00 0.22 N ATOM 317 CZ ARG A 20 10.746 9.615 -1.265 1.00 72.32 C ATOM 318 NH1 ARG A 20 11.192 8.956 -2.324 1.00 10.22 N ATOM 319 NH2 ARG A 20 11.594 10.026 -0.347 1.00 54.04 N ATOM 0 H ARG A 20 4.016 9.910 -4.067 1.00 61.22 H new ATOM 0 HA ARG A 20 4.207 9.216 -1.380 1.00 73.20 H new ATOM 0 HB2 ARG A 20 5.945 8.716 -2.998 1.00 44.24 H new ATOM 0 HB3 ARG A 20 6.201 10.417 -3.334 1.00 44.24 H new ATOM 0 HG2 ARG A 20 7.008 10.722 -0.979 1.00 33.12 H new ATOM 0 HG3 ARG A 20 6.832 8.997 -0.723 1.00 33.12 H new ATOM 0 HD2 ARG A 20 8.497 8.488 -2.390 1.00 11.23 H new ATOM 0 HD3 ARG A 20 8.525 10.144 -2.964 1.00 11.23 H new ATOM 0 HE ARG A 20 9.156 10.282 -0.233 1.00 0.22 H new ATOM 0 HH11 ARG A 20 10.536 8.619 -3.029 1.00 10.22 H new ATOM 0 HH12 ARG A 20 12.191 8.785 -2.435 1.00 10.22 H new ATOM 0 HH21 ARG A 20 11.253 10.518 0.479 1.00 54.04 H new ATOM 0 HH22 ARG A 20 12.593 9.853 -0.461 1.00 54.04 H new ATOM 333 N ALA A 21 4.290 12.431 -1.902 1.00 55.44 N ATOM 334 CA ALA A 21 4.247 13.750 -1.283 1.00 35.53 C ATOM 335 C ALA A 21 3.181 13.826 -0.184 1.00 74.34 C ATOM 336 O ALA A 21 3.368 14.505 0.825 1.00 33.34 O ATOM 337 CB ALA A 21 3.990 14.813 -2.343 1.00 45.00 C ATOM 0 H ALA A 21 4.105 12.442 -2.905 1.00 55.44 H new ATOM 0 HA ALA A 21 5.214 13.932 -0.815 1.00 35.53 H new ATOM 0 HB1 ALA A 21 3.959 15.796 -1.873 1.00 45.00 H new ATOM 0 HB2 ALA A 21 4.790 14.790 -3.083 1.00 45.00 H new ATOM 0 HB3 ALA A 21 3.037 14.615 -2.833 1.00 45.00 H new ATOM 343 N ASN A 22 2.087 13.100 -0.370 1.00 65.54 N ATOM 344 CA ASN A 22 0.984 13.122 0.592 1.00 65.30 C ATOM 345 C ASN A 22 0.984 11.844 1.437 1.00 3.43 C ATOM 346 O ASN A 22 0.139 11.645 2.290 1.00 61.31 O ATOM 347 CB ASN A 22 -0.366 13.323 -0.144 1.00 32.22 C ATOM 348 CG ASN A 22 -1.587 13.485 0.782 1.00 24.43 C ATOM 349 OD1 ASN A 22 -1.484 13.955 1.924 1.00 55.51 O ATOM 350 ND2 ASN A 22 -2.745 13.129 0.288 1.00 11.24 N ATOM 0 H ASN A 22 1.936 12.490 -1.173 1.00 65.54 H new ATOM 0 HA ASN A 22 1.121 13.964 1.271 1.00 65.30 H new ATOM 0 HB2 ASN A 22 -0.290 14.205 -0.780 1.00 32.22 H new ATOM 0 HB3 ASN A 22 -0.536 12.470 -0.801 1.00 32.22 H new ATOM 0 HD21 ASN A 22 -3.592 13.236 0.846 1.00 11.24 H new ATOM 0 HD22 ASN A 22 -2.801 12.745 -0.655 1.00 11.24 H new ATOM 357 N VAL A 23 1.946 10.982 1.206 1.00 54.43 N ATOM 358 CA VAL A 23 2.049 9.763 1.996 1.00 35.12 C ATOM 359 C VAL A 23 2.718 10.032 3.341 1.00 61.24 C ATOM 360 O VAL A 23 3.920 10.309 3.418 1.00 51.35 O ATOM 361 CB VAL A 23 2.765 8.609 1.248 1.00 2.05 C ATOM 362 CG1 VAL A 23 2.883 7.387 2.142 1.00 74.00 C ATOM 363 CG2 VAL A 23 1.977 8.244 0.020 1.00 1.24 C ATOM 0 H VAL A 23 2.663 11.093 0.489 1.00 54.43 H new ATOM 0 HA VAL A 23 1.026 9.431 2.173 1.00 35.12 H new ATOM 0 HB VAL A 23 3.764 8.942 0.968 1.00 2.05 H new ATOM 0 HG11 VAL A 23 3.388 6.587 1.600 1.00 74.00 H new ATOM 0 HG12 VAL A 23 3.458 7.642 3.032 1.00 74.00 H new ATOM 0 HG13 VAL A 23 1.888 7.054 2.436 1.00 74.00 H new ATOM 0 HG21 VAL A 23 2.479 7.433 -0.507 1.00 1.24 H new ATOM 0 HG22 VAL A 23 0.977 7.923 0.312 1.00 1.24 H new ATOM 0 HG23 VAL A 23 1.903 9.111 -0.636 1.00 1.24 H new ATOM 373 N LYS A 24 1.923 9.958 4.386 1.00 75.40 N ATOM 374 CA LYS A 24 2.365 10.194 5.744 1.00 64.40 C ATOM 375 C LYS A 24 3.133 8.998 6.210 1.00 54.10 C ATOM 376 O LYS A 24 4.232 9.101 6.740 1.00 12.15 O ATOM 377 CB LYS A 24 1.138 10.366 6.635 1.00 30.12 C ATOM 378 CG LYS A 24 1.389 10.773 8.002 1.00 71.31 C ATOM 379 CD LYS A 24 0.073 10.983 8.691 1.00 21.02 C ATOM 380 CE LYS A 24 0.315 11.516 10.020 1.00 65.41 C ATOM 381 NZ LYS A 24 -0.921 11.616 10.829 1.00 20.52 N ATOM 0 H LYS A 24 0.932 9.728 4.315 1.00 75.40 H new ATOM 0 HA LYS A 24 2.990 11.086 5.789 1.00 64.40 H new ATOM 0 HB2 LYS A 24 0.481 11.103 6.174 1.00 30.12 H new ATOM 0 HB3 LYS A 24 0.594 9.422 6.654 1.00 30.12 H new ATOM 0 HG2 LYS A 24 1.971 10.012 8.522 1.00 71.31 H new ATOM 0 HG3 LYS A 24 1.976 11.691 8.021 1.00 71.31 H new ATOM 0 HD2 LYS A 24 -0.547 11.671 8.117 1.00 21.02 H new ATOM 0 HD3 LYS A 24 -0.472 10.041 8.756 1.00 21.02 H new ATOM 0 HE2 LYS A 24 1.032 10.879 10.537 1.00 65.41 H new ATOM 0 HE3 LYS A 24 0.769 12.503 9.934 1.00 65.41 H new ATOM 0 HZ1 LYS A 24 -1.116 12.615 11.043 1.00 20.52 H new ATOM 0 HZ2 LYS A 24 -1.718 11.215 10.296 1.00 20.52 H new ATOM 0 HZ3 LYS A 24 -0.798 11.089 11.717 1.00 20.52 H new ATOM 395 N ARG A 25 2.537 7.867 5.999 1.00 53.33 N ATOM 396 CA ARG A 25 3.121 6.614 6.385 1.00 44.03 C ATOM 397 C ARG A 25 2.616 5.531 5.449 1.00 13.43 C ATOM 398 O ARG A 25 1.443 5.570 5.031 1.00 34.10 O ATOM 399 CB ARG A 25 2.715 6.271 7.832 1.00 43.32 C ATOM 400 CG ARG A 25 3.383 5.027 8.400 1.00 1.50 C ATOM 401 CD ARG A 25 4.880 5.229 8.513 1.00 72.15 C ATOM 402 NE ARG A 25 5.567 4.058 9.055 1.00 64.41 N ATOM 403 CZ ARG A 25 6.849 4.046 9.439 1.00 24.23 C ATOM 404 NH1 ARG A 25 7.581 5.159 9.375 1.00 13.14 N ATOM 405 NH2 ARG A 25 7.394 2.927 9.896 1.00 71.03 N ATOM 0 H ARG A 25 1.625 7.783 5.551 1.00 53.33 H new ATOM 0 HA ARG A 25 4.207 6.682 6.327 1.00 44.03 H new ATOM 0 HB2 ARG A 25 2.953 7.120 8.473 1.00 43.32 H new ATOM 0 HB3 ARG A 25 1.634 6.136 7.870 1.00 43.32 H new ATOM 0 HG2 ARG A 25 2.966 4.800 9.381 1.00 1.50 H new ATOM 0 HG3 ARG A 25 3.174 4.171 7.759 1.00 1.50 H new ATOM 0 HD2 ARG A 25 5.287 5.461 7.529 1.00 72.15 H new ATOM 0 HD3 ARG A 25 5.079 6.090 9.151 1.00 72.15 H new ATOM 0 HE ARG A 25 5.034 3.193 9.147 1.00 64.41 H new ATOM 0 HH11 ARG A 25 7.164 6.025 9.032 1.00 13.14 H new ATOM 0 HH12 ARG A 25 8.558 5.145 9.669 1.00 13.14 H new ATOM 0 HH21 ARG A 25 6.836 2.075 9.955 1.00 71.03 H new ATOM 0 HH22 ARG A 25 8.371 2.918 10.189 1.00 71.03 H new ATOM 419 N LEU A 26 3.471 4.586 5.120 1.00 0.35 N ATOM 420 CA LEU A 26 3.079 3.475 4.305 1.00 13.33 C ATOM 421 C LEU A 26 3.732 2.247 4.830 1.00 45.05 C ATOM 422 O LEU A 26 4.705 2.332 5.595 1.00 70.41 O ATOM 423 CB LEU A 26 3.406 3.600 2.803 1.00 4.01 C ATOM 424 CG LEU A 26 4.869 3.520 2.378 1.00 41.41 C ATOM 425 CD1 LEU A 26 4.932 3.061 0.951 1.00 3.44 C ATOM 426 CD2 LEU A 26 5.539 4.865 2.487 1.00 72.11 C ATOM 0 H LEU A 26 4.448 4.573 5.411 1.00 0.35 H new ATOM 0 HA LEU A 26 1.991 3.439 4.366 1.00 13.33 H new ATOM 0 HB2 LEU A 26 2.862 2.815 2.277 1.00 4.01 H new ATOM 0 HB3 LEU A 26 3.009 4.553 2.453 1.00 4.01 H new ATOM 0 HG LEU A 26 5.386 2.820 3.035 1.00 41.41 H new ATOM 0 HD11 LEU A 26 5.973 2.999 0.634 1.00 3.44 H new ATOM 0 HD12 LEU A 26 4.468 2.079 0.864 1.00 3.44 H new ATOM 0 HD13 LEU A 26 4.401 3.771 0.317 1.00 3.44 H new ATOM 0 HD21 LEU A 26 6.581 4.779 2.178 1.00 72.11 H new ATOM 0 HD22 LEU A 26 5.027 5.580 1.842 1.00 72.11 H new ATOM 0 HD23 LEU A 26 5.494 5.211 3.520 1.00 72.11 H new ATOM 438 N LYS A 27 3.213 1.131 4.459 1.00 62.31 N ATOM 439 CA LYS A 27 3.735 -0.121 4.893 1.00 14.04 C ATOM 440 C LYS A 27 3.530 -1.143 3.800 1.00 40.12 C ATOM 441 O LYS A 27 2.449 -1.211 3.213 1.00 73.54 O ATOM 442 CB LYS A 27 2.994 -0.541 6.150 1.00 14.21 C ATOM 443 CG LYS A 27 3.490 -1.787 6.831 1.00 32.12 C ATOM 444 CD LYS A 27 2.735 -1.971 8.127 1.00 34.25 C ATOM 445 CE LYS A 27 3.091 -0.902 9.168 1.00 0.33 C ATOM 446 NZ LYS A 27 4.506 -0.976 9.587 1.00 62.11 N ATOM 0 H LYS A 27 2.406 1.058 3.840 1.00 62.31 H new ATOM 0 HA LYS A 27 4.800 -0.041 5.109 1.00 14.04 H new ATOM 0 HB2 LYS A 27 3.040 0.281 6.865 1.00 14.21 H new ATOM 0 HB3 LYS A 27 1.944 -0.685 5.896 1.00 14.21 H new ATOM 0 HG2 LYS A 27 3.346 -2.653 6.185 1.00 32.12 H new ATOM 0 HG3 LYS A 27 4.560 -1.710 7.026 1.00 32.12 H new ATOM 0 HD2 LYS A 27 1.664 -1.938 7.928 1.00 34.25 H new ATOM 0 HD3 LYS A 27 2.953 -2.958 8.535 1.00 34.25 H new ATOM 0 HE2 LYS A 27 2.888 0.086 8.755 1.00 0.33 H new ATOM 0 HE3 LYS A 27 2.449 -1.020 10.041 1.00 0.33 H new ATOM 0 HZ1 LYS A 27 4.647 -0.393 10.437 1.00 62.11 H new ATOM 0 HZ2 LYS A 27 4.754 -1.963 9.799 1.00 62.11 H new ATOM 0 HZ3 LYS A 27 5.114 -0.623 8.820 1.00 62.11 H new ATOM 460 N ILE A 28 4.560 -1.892 3.510 1.00 45.11 N ATOM 461 CA ILE A 28 4.480 -2.967 2.539 1.00 62.03 C ATOM 462 C ILE A 28 4.413 -4.279 3.277 1.00 4.54 C ATOM 463 O ILE A 28 5.337 -4.637 4.011 1.00 12.24 O ATOM 464 CB ILE A 28 5.674 -2.974 1.519 1.00 14.22 C ATOM 465 CG1 ILE A 28 5.624 -1.746 0.606 1.00 72.23 C ATOM 466 CG2 ILE A 28 5.726 -4.258 0.693 1.00 51.34 C ATOM 467 CD1 ILE A 28 6.644 -1.768 -0.521 1.00 53.42 C ATOM 0 H ILE A 28 5.480 -1.780 3.936 1.00 45.11 H new ATOM 0 HA ILE A 28 3.580 -2.810 1.944 1.00 62.03 H new ATOM 0 HB ILE A 28 6.590 -2.933 2.108 1.00 14.22 H new ATOM 0 HG12 ILE A 28 4.625 -1.667 0.176 1.00 72.23 H new ATOM 0 HG13 ILE A 28 5.784 -0.852 1.209 1.00 72.23 H new ATOM 0 HG21 ILE A 28 6.569 -4.213 0.003 1.00 51.34 H new ATOM 0 HG22 ILE A 28 5.846 -5.114 1.358 1.00 51.34 H new ATOM 0 HG23 ILE A 28 4.800 -4.365 0.128 1.00 51.34 H new ATOM 0 HD11 ILE A 28 6.543 -0.864 -1.121 1.00 53.42 H new ATOM 0 HD12 ILE A 28 7.649 -1.814 -0.101 1.00 53.42 H new ATOM 0 HD13 ILE A 28 6.473 -2.642 -1.150 1.00 53.42 H new ATOM 479 N LEU A 29 3.329 -4.974 3.119 1.00 14.11 N ATOM 480 CA LEU A 29 3.133 -6.217 3.799 1.00 33.33 C ATOM 481 C LEU A 29 3.236 -7.395 2.834 1.00 72.04 C ATOM 482 O LEU A 29 2.391 -7.567 1.935 1.00 74.53 O ATOM 483 CB LEU A 29 1.778 -6.220 4.518 1.00 64.32 C ATOM 484 CG LEU A 29 1.455 -7.452 5.374 1.00 30.23 C ATOM 485 CD1 LEU A 29 2.465 -7.611 6.507 1.00 15.34 C ATOM 486 CD2 LEU A 29 0.039 -7.366 5.925 1.00 65.14 C ATOM 0 H LEU A 29 2.555 -4.696 2.515 1.00 14.11 H new ATOM 0 HA LEU A 29 3.923 -6.328 4.542 1.00 33.33 H new ATOM 0 HB2 LEU A 29 1.730 -5.339 5.158 1.00 64.32 H new ATOM 0 HB3 LEU A 29 0.995 -6.112 3.768 1.00 64.32 H new ATOM 0 HG LEU A 29 1.523 -8.333 4.736 1.00 30.23 H new ATOM 0 HD11 LEU A 29 2.213 -8.491 7.098 1.00 15.34 H new ATOM 0 HD12 LEU A 29 3.465 -7.728 6.089 1.00 15.34 H new ATOM 0 HD13 LEU A 29 2.439 -6.727 7.144 1.00 15.34 H new ATOM 0 HD21 LEU A 29 -0.171 -8.249 6.529 1.00 65.14 H new ATOM 0 HD22 LEU A 29 -0.058 -6.473 6.542 1.00 65.14 H new ATOM 0 HD23 LEU A 29 -0.670 -7.315 5.099 1.00 65.14 H new ATOM 498 N ASN A 30 4.276 -8.176 3.016 1.00 74.32 N ATOM 499 CA ASN A 30 4.503 -9.408 2.270 1.00 23.14 C ATOM 500 C ASN A 30 3.784 -10.535 2.966 1.00 60.31 C ATOM 501 O ASN A 30 4.224 -11.011 4.012 1.00 43.24 O ATOM 502 CB ASN A 30 6.026 -9.755 2.206 1.00 41.24 C ATOM 503 CG ASN A 30 6.843 -9.016 1.141 1.00 14.24 C ATOM 504 OD1 ASN A 30 7.053 -9.538 0.039 1.00 14.40 O ATOM 505 ND2 ASN A 30 7.272 -7.798 1.419 1.00 64.53 N ATOM 0 H ASN A 30 5.007 -7.975 3.699 1.00 74.32 H new ATOM 0 HA ASN A 30 4.131 -9.272 1.254 1.00 23.14 H new ATOM 0 HB2 ASN A 30 6.466 -9.547 3.181 1.00 41.24 H new ATOM 0 HB3 ASN A 30 6.126 -10.826 2.033 1.00 41.24 H new ATOM 0 HD21 ASN A 30 7.789 -7.267 0.718 1.00 64.53 H new ATOM 0 HD22 ASN A 30 7.087 -7.389 2.335 1.00 64.53 H new ATOM 512 N THR A 31 2.658 -10.917 2.441 1.00 61.32 N ATOM 513 CA THR A 31 1.942 -12.029 2.984 1.00 1.33 C ATOM 514 C THR A 31 2.250 -13.263 2.158 1.00 11.44 C ATOM 515 O THR A 31 2.214 -13.197 0.937 1.00 31.14 O ATOM 516 CB THR A 31 0.414 -11.775 3.032 1.00 62.03 C ATOM 517 OG1 THR A 31 -0.078 -11.391 1.737 1.00 65.02 O ATOM 518 CG2 THR A 31 0.066 -10.692 4.038 1.00 75.34 C ATOM 0 H THR A 31 2.216 -10.473 1.636 1.00 61.32 H new ATOM 0 HA THR A 31 2.267 -12.177 4.014 1.00 1.33 H new ATOM 0 HB THR A 31 -0.059 -12.707 3.340 1.00 62.03 H new ATOM 0 HG1 THR A 31 -1.044 -11.236 1.787 1.00 65.02 H new ATOM 0 HG21 THR A 31 -1.013 -10.538 4.048 1.00 75.34 H new ATOM 0 HG22 THR A 31 0.398 -10.997 5.030 1.00 75.34 H new ATOM 0 HG23 THR A 31 0.563 -9.763 3.759 1.00 75.34 H new ATOM 526 N PRO A 32 2.600 -14.386 2.803 1.00 43.02 N ATOM 527 CA PRO A 32 2.953 -15.644 2.111 1.00 32.24 C ATOM 528 C PRO A 32 1.923 -16.088 1.064 1.00 52.44 C ATOM 529 O PRO A 32 2.278 -16.464 -0.045 1.00 31.44 O ATOM 530 CB PRO A 32 3.026 -16.662 3.248 1.00 73.42 C ATOM 531 CG PRO A 32 3.384 -15.857 4.447 1.00 2.32 C ATOM 532 CD PRO A 32 2.727 -14.520 4.270 1.00 43.34 C ATOM 0 HA PRO A 32 3.877 -15.532 1.543 1.00 32.24 H new ATOM 0 HB2 PRO A 32 2.073 -17.174 3.384 1.00 73.42 H new ATOM 0 HB3 PRO A 32 3.774 -17.429 3.047 1.00 73.42 H new ATOM 0 HG2 PRO A 32 3.037 -16.343 5.359 1.00 2.32 H new ATOM 0 HG3 PRO A 32 4.465 -15.750 4.535 1.00 2.32 H new ATOM 0 HD2 PRO A 32 1.755 -14.483 4.762 1.00 43.34 H new ATOM 0 HD3 PRO A 32 3.330 -13.718 4.695 1.00 43.34 H new ATOM 540 N ASN A 33 0.662 -16.034 1.427 1.00 24.14 N ATOM 541 CA ASN A 33 -0.426 -16.472 0.524 1.00 24.44 C ATOM 542 C ASN A 33 -0.703 -15.472 -0.624 1.00 10.21 C ATOM 543 O ASN A 33 -1.382 -15.810 -1.591 1.00 1.11 O ATOM 544 CB ASN A 33 -1.735 -16.770 1.304 1.00 13.54 C ATOM 545 CG ASN A 33 -2.466 -15.530 1.847 1.00 32.35 C ATOM 546 OD1 ASN A 33 -1.742 -14.466 2.137 1.00 22.04 O flip ATOM 547 ND2 ASN A 33 -3.681 -15.548 2.001 1.00 41.00 N flip ATOM 0 H ASN A 33 0.345 -15.695 2.335 1.00 24.14 H new ATOM 0 HA ASN A 33 -0.072 -17.396 0.067 1.00 24.44 H new ATOM 0 HB2 ASN A 33 -2.414 -17.315 0.649 1.00 13.54 H new ATOM 0 HB3 ASN A 33 -1.500 -17.429 2.140 1.00 13.54 H new ATOM 0 HD21 ASN A 33 -4.212 -16.387 1.767 1.00 41.00 H new ATOM 0 HD22 ASN A 33 -4.161 -14.724 2.363 1.00 41.00 H new ATOM 554 N CYS A 34 -0.198 -14.251 -0.509 1.00 41.53 N ATOM 555 CA CYS A 34 -0.386 -13.272 -1.558 1.00 23.33 C ATOM 556 C CYS A 34 1.001 -12.751 -1.971 1.00 21.31 C ATOM 557 O CYS A 34 1.994 -13.480 -1.888 1.00 50.41 O ATOM 558 CB CYS A 34 -1.256 -12.105 -1.052 1.00 32.22 C ATOM 559 SG CYS A 34 -1.920 -11.055 -2.397 1.00 72.24 S ATOM 0 H CYS A 34 0.339 -13.922 0.293 1.00 41.53 H new ATOM 0 HA CYS A 34 -0.893 -13.727 -2.409 1.00 23.33 H new ATOM 0 HB2 CYS A 34 -2.086 -12.506 -0.471 1.00 32.22 H new ATOM 0 HB3 CYS A 34 -0.664 -11.487 -0.377 1.00 32.22 H new ATOM 564 N ALA A 35 1.071 -11.517 -2.413 1.00 2.33 N ATOM 565 CA ALA A 35 2.308 -10.926 -2.811 1.00 3.43 C ATOM 566 C ALA A 35 2.596 -9.707 -1.958 1.00 12.12 C ATOM 567 O ALA A 35 3.257 -9.820 -0.920 1.00 11.03 O ATOM 568 CB ALA A 35 2.320 -10.589 -4.299 1.00 1.43 C ATOM 0 H ALA A 35 0.264 -10.900 -2.503 1.00 2.33 H new ATOM 0 HA ALA A 35 3.104 -11.654 -2.652 1.00 3.43 H new ATOM 0 HB1 ALA A 35 3.278 -10.141 -4.563 1.00 1.43 H new ATOM 0 HB2 ALA A 35 2.173 -11.500 -4.880 1.00 1.43 H new ATOM 0 HB3 ALA A 35 1.518 -9.885 -4.519 1.00 1.43 H new ATOM 574 N LEU A 36 2.041 -8.563 -2.335 1.00 73.43 N ATOM 575 CA LEU A 36 2.286 -7.330 -1.617 1.00 64.43 C ATOM 576 C LEU A 36 1.038 -6.533 -1.411 1.00 71.33 C ATOM 577 O LEU A 36 0.276 -6.296 -2.344 1.00 31.41 O ATOM 578 CB LEU A 36 3.314 -6.435 -2.334 1.00 50.22 C ATOM 579 CG LEU A 36 4.731 -6.970 -2.453 1.00 21.54 C ATOM 580 CD1 LEU A 36 5.637 -5.945 -3.080 1.00 42.41 C ATOM 581 CD2 LEU A 36 5.247 -7.321 -1.110 1.00 44.22 C ATOM 0 H LEU A 36 1.417 -8.468 -3.137 1.00 73.43 H new ATOM 0 HA LEU A 36 2.681 -7.638 -0.649 1.00 64.43 H new ATOM 0 HB2 LEU A 36 2.943 -6.231 -3.339 1.00 50.22 H new ATOM 0 HB3 LEU A 36 3.355 -5.480 -1.810 1.00 50.22 H new ATOM 0 HG LEU A 36 4.711 -7.857 -3.086 1.00 21.54 H new ATOM 0 HD11 LEU A 36 6.646 -6.349 -3.155 1.00 42.41 H new ATOM 0 HD12 LEU A 36 5.270 -5.696 -4.076 1.00 42.41 H new ATOM 0 HD13 LEU A 36 5.651 -5.046 -2.463 1.00 42.41 H new ATOM 0 HD21 LEU A 36 6.263 -7.704 -1.200 1.00 44.22 H new ATOM 0 HD22 LEU A 36 5.248 -6.433 -0.477 1.00 44.22 H new ATOM 0 HD23 LEU A 36 4.610 -8.084 -0.663 1.00 44.22 H new ATOM 593 N GLN A 37 0.824 -6.146 -0.189 1.00 33.51 N ATOM 594 CA GLN A 37 -0.221 -5.230 0.149 1.00 63.12 C ATOM 595 C GLN A 37 0.430 -4.021 0.707 1.00 12.33 C ATOM 596 O GLN A 37 1.249 -4.128 1.616 1.00 10.32 O ATOM 597 CB GLN A 37 -1.211 -5.804 1.177 1.00 54.20 C ATOM 598 CG GLN A 37 -2.094 -6.927 0.667 1.00 3.24 C ATOM 599 CD GLN A 37 -1.380 -8.231 0.350 1.00 44.44 C ATOM 600 OE1 GLN A 37 -1.777 -8.923 -0.512 1.00 21.43 O ATOM 601 NE2 GLN A 37 -0.373 -8.589 1.100 1.00 55.54 N ATOM 0 H GLN A 37 1.376 -6.461 0.609 1.00 33.51 H new ATOM 0 HA GLN A 37 -0.804 -5.011 -0.746 1.00 63.12 H new ATOM 0 HB2 GLN A 37 -0.647 -6.168 2.036 1.00 54.20 H new ATOM 0 HB3 GLN A 37 -1.849 -4.995 1.534 1.00 54.20 H new ATOM 0 HG2 GLN A 37 -2.864 -7.127 1.412 1.00 3.24 H new ATOM 0 HG3 GLN A 37 -2.603 -6.584 -0.234 1.00 3.24 H new ATOM 0 HE21 GLN A 37 -0.045 -7.971 1.843 1.00 55.54 H new ATOM 0 HE22 GLN A 37 0.086 -9.486 0.943 1.00 55.54 H new ATOM 610 N ILE A 38 0.112 -2.893 0.178 1.00 2.14 N ATOM 611 CA ILE A 38 0.715 -1.682 0.633 1.00 43.52 C ATOM 612 C ILE A 38 -0.386 -0.754 1.091 1.00 54.13 C ATOM 613 O ILE A 38 -1.478 -0.775 0.535 1.00 70.11 O ATOM 614 CB ILE A 38 1.516 -1.006 -0.494 1.00 71.31 C ATOM 615 CG1 ILE A 38 2.365 -2.037 -1.237 1.00 25.13 C ATOM 616 CG2 ILE A 38 2.432 0.069 0.095 1.00 3.03 C ATOM 617 CD1 ILE A 38 3.146 -1.449 -2.375 1.00 44.22 C ATOM 0 H ILE A 38 -0.566 -2.779 -0.575 1.00 2.14 H new ATOM 0 HA ILE A 38 1.403 -1.905 1.449 1.00 43.52 H new ATOM 0 HB ILE A 38 0.814 -0.551 -1.193 1.00 71.31 H new ATOM 0 HG12 ILE A 38 3.055 -2.504 -0.534 1.00 25.13 H new ATOM 0 HG13 ILE A 38 1.716 -2.825 -1.619 1.00 25.13 H new ATOM 0 HG21 ILE A 38 2.997 0.545 -0.707 1.00 3.03 H new ATOM 0 HG22 ILE A 38 1.830 0.818 0.609 1.00 3.03 H new ATOM 0 HG23 ILE A 38 3.122 -0.389 0.803 1.00 3.03 H new ATOM 0 HD11 ILE A 38 3.727 -2.233 -2.861 1.00 44.22 H new ATOM 0 HD12 ILE A 38 2.460 -1.006 -3.097 1.00 44.22 H new ATOM 0 HD13 ILE A 38 3.819 -0.680 -1.995 1.00 44.22 H new ATOM 629 N VAL A 39 -0.119 0.041 2.082 1.00 2.41 N ATOM 630 CA VAL A 39 -1.111 0.966 2.607 1.00 61.34 C ATOM 631 C VAL A 39 -0.531 2.357 2.669 1.00 0.43 C ATOM 632 O VAL A 39 0.624 2.513 3.010 1.00 25.35 O ATOM 633 CB VAL A 39 -1.625 0.547 4.019 1.00 41.34 C ATOM 634 CG1 VAL A 39 -2.356 -0.789 3.959 1.00 34.22 C ATOM 635 CG2 VAL A 39 -0.475 0.476 5.024 1.00 34.25 C ATOM 0 H VAL A 39 0.783 0.077 2.556 1.00 2.41 H new ATOM 0 HA VAL A 39 -1.964 0.946 1.929 1.00 61.34 H new ATOM 0 HB VAL A 39 -2.327 1.310 4.354 1.00 41.34 H new ATOM 0 HG11 VAL A 39 -2.704 -1.058 4.956 1.00 34.22 H new ATOM 0 HG12 VAL A 39 -3.210 -0.707 3.286 1.00 34.22 H new ATOM 0 HG13 VAL A 39 -1.677 -1.559 3.591 1.00 34.22 H new ATOM 0 HG21 VAL A 39 -0.862 0.182 6.000 1.00 34.25 H new ATOM 0 HG22 VAL A 39 0.257 -0.258 4.688 1.00 34.25 H new ATOM 0 HG23 VAL A 39 0.001 1.454 5.102 1.00 34.25 H new ATOM 645 N ALA A 40 -1.305 3.348 2.313 1.00 2.05 N ATOM 646 CA ALA A 40 -0.846 4.719 2.356 1.00 70.21 C ATOM 647 C ALA A 40 -1.796 5.571 3.132 1.00 12.22 C ATOM 648 O ALA A 40 -2.987 5.611 2.831 1.00 42.42 O ATOM 649 CB ALA A 40 -0.715 5.287 0.963 1.00 24.31 C ATOM 0 H ALA A 40 -2.265 3.234 1.987 1.00 2.05 H new ATOM 0 HA ALA A 40 0.129 4.720 2.843 1.00 70.21 H new ATOM 0 HB1 ALA A 40 -0.368 6.319 1.022 1.00 24.31 H new ATOM 0 HB2 ALA A 40 0.003 4.695 0.395 1.00 24.31 H new ATOM 0 HB3 ALA A 40 -1.684 5.258 0.465 1.00 24.31 H new ATOM 655 N ARG A 41 -1.290 6.232 4.129 1.00 72.41 N ATOM 656 CA ARG A 41 -2.076 7.167 4.877 1.00 30.41 C ATOM 657 C ARG A 41 -1.704 8.567 4.472 1.00 12.31 C ATOM 658 O ARG A 41 -0.529 8.894 4.404 1.00 12.24 O ATOM 659 CB ARG A 41 -1.938 6.943 6.381 1.00 23.11 C ATOM 660 CG ARG A 41 -2.683 7.947 7.231 1.00 53.33 C ATOM 661 CD ARG A 41 -2.907 7.425 8.644 1.00 52.53 C ATOM 662 NE ARG A 41 -1.678 6.975 9.328 1.00 71.31 N ATOM 663 CZ ARG A 41 -1.550 5.770 9.910 1.00 52.44 C ATOM 664 NH1 ARG A 41 -2.541 4.889 9.842 1.00 42.30 N ATOM 665 NH2 ARG A 41 -0.435 5.453 10.553 1.00 23.21 N ATOM 0 H ARG A 41 -0.325 6.139 4.446 1.00 72.41 H new ATOM 0 HA ARG A 41 -3.130 7.011 4.647 1.00 30.41 H new ATOM 0 HB2 ARG A 41 -2.298 5.943 6.622 1.00 23.11 H new ATOM 0 HB3 ARG A 41 -0.881 6.974 6.646 1.00 23.11 H new ATOM 0 HG2 ARG A 41 -2.120 8.880 7.272 1.00 53.33 H new ATOM 0 HG3 ARG A 41 -3.644 8.174 6.769 1.00 53.33 H new ATOM 0 HD2 ARG A 41 -3.373 8.210 9.239 1.00 52.53 H new ATOM 0 HD3 ARG A 41 -3.612 6.594 8.604 1.00 52.53 H new ATOM 0 HE ARG A 41 -0.883 7.613 9.361 1.00 71.31 H new ATOM 0 HH11 ARG A 41 -3.401 5.126 9.348 1.00 42.30 H new ATOM 0 HH12 ARG A 41 -2.442 3.975 10.284 1.00 42.30 H new ATOM 0 HH21 ARG A 41 0.331 6.125 10.608 1.00 23.21 H new ATOM 0 HH22 ARG A 41 -0.343 4.537 10.993 1.00 23.21 H new ATOM 679 N LEU A 42 -2.701 9.369 4.174 1.00 13.21 N ATOM 680 CA LEU A 42 -2.483 10.729 3.687 1.00 1.32 C ATOM 681 C LEU A 42 -2.003 11.619 4.812 1.00 10.24 C ATOM 682 O LEU A 42 -2.427 11.461 5.946 1.00 70.11 O ATOM 683 CB LEU A 42 -3.778 11.350 3.086 1.00 22.50 C ATOM 684 CG LEU A 42 -4.597 10.484 2.108 1.00 42.14 C ATOM 685 CD1 LEU A 42 -5.603 11.309 1.324 1.00 14.44 C ATOM 686 CD2 LEU A 42 -3.732 9.624 1.197 1.00 40.44 C ATOM 0 H LEU A 42 -3.683 9.107 4.259 1.00 13.21 H new ATOM 0 HA LEU A 42 -1.729 10.665 2.902 1.00 1.32 H new ATOM 0 HB2 LEU A 42 -4.430 11.632 3.912 1.00 22.50 H new ATOM 0 HB3 LEU A 42 -3.502 12.270 2.570 1.00 22.50 H new ATOM 0 HG LEU A 42 -5.161 9.787 2.728 1.00 42.14 H new ATOM 0 HD11 LEU A 42 -6.158 10.659 0.647 1.00 14.44 H new ATOM 0 HD12 LEU A 42 -6.296 11.790 2.014 1.00 14.44 H new ATOM 0 HD13 LEU A 42 -5.078 12.070 0.747 1.00 14.44 H new ATOM 0 HD21 LEU A 42 -4.370 9.040 0.534 1.00 40.44 H new ATOM 0 HD22 LEU A 42 -3.081 10.265 0.602 1.00 40.44 H new ATOM 0 HD23 LEU A 42 -3.124 8.951 1.802 1.00 40.44 H new ATOM 698 N LYS A 43 -1.108 12.514 4.512 1.00 71.31 N ATOM 699 CA LYS A 43 -0.660 13.486 5.485 1.00 64.12 C ATOM 700 C LYS A 43 -1.780 14.452 5.764 1.00 22.13 C ATOM 701 O LYS A 43 -2.046 14.811 6.914 1.00 52.34 O ATOM 702 CB LYS A 43 0.534 14.269 4.965 1.00 22.35 C ATOM 703 CG LYS A 43 1.722 13.456 4.638 1.00 2.35 C ATOM 704 CD LYS A 43 2.810 14.348 4.132 1.00 52.24 C ATOM 705 CE LYS A 43 4.080 13.608 4.038 1.00 21.33 C ATOM 706 NZ LYS A 43 5.176 14.468 3.557 1.00 53.32 N ATOM 0 H LYS A 43 -0.667 12.597 3.596 1.00 71.31 H new ATOM 0 HA LYS A 43 -0.367 12.956 6.391 1.00 64.12 H new ATOM 0 HB2 LYS A 43 0.230 14.815 4.072 1.00 22.35 H new ATOM 0 HB3 LYS A 43 0.815 15.011 5.712 1.00 22.35 H new ATOM 0 HG2 LYS A 43 2.061 12.916 5.522 1.00 2.35 H new ATOM 0 HG3 LYS A 43 1.469 12.709 3.885 1.00 2.35 H new ATOM 0 HD2 LYS A 43 2.539 14.743 3.153 1.00 52.24 H new ATOM 0 HD3 LYS A 43 2.928 15.202 4.799 1.00 52.24 H new ATOM 0 HE2 LYS A 43 4.338 13.202 5.016 1.00 21.33 H new ATOM 0 HE3 LYS A 43 3.959 12.761 3.363 1.00 21.33 H new ATOM 0 HZ1 LYS A 43 6.073 13.944 3.600 1.00 53.32 H new ATOM 0 HZ2 LYS A 43 4.988 14.753 2.575 1.00 53.32 H new ATOM 0 HZ3 LYS A 43 5.241 15.315 4.157 1.00 53.32 H new ATOM 720 N ASN A 44 -2.462 14.834 4.704 1.00 31.42 N ATOM 721 CA ASN A 44 -3.533 15.799 4.791 1.00 12.44 C ATOM 722 C ASN A 44 -4.817 15.180 5.325 1.00 34.02 C ATOM 723 O ASN A 44 -5.233 15.485 6.439 1.00 0.21 O ATOM 724 CB ASN A 44 -3.779 16.496 3.440 1.00 21.43 C ATOM 725 CG ASN A 44 -2.602 17.323 2.942 1.00 65.15 C ATOM 726 OD1 ASN A 44 -2.569 18.578 3.299 1.00 51.02 O flip ATOM 727 ND2 ASN A 44 -1.728 16.826 2.229 1.00 31.42 N flip ATOM 0 H ASN A 44 -2.289 14.484 3.762 1.00 31.42 H new ATOM 0 HA ASN A 44 -3.214 16.557 5.506 1.00 12.44 H new ATOM 0 HB2 ASN A 44 -4.020 15.740 2.692 1.00 21.43 H new ATOM 0 HB3 ASN A 44 -4.651 17.144 3.531 1.00 21.43 H new ATOM 0 HD21 ASN A 44 -1.782 15.842 1.967 1.00 31.42 H new ATOM 0 HD22 ASN A 44 -0.951 17.399 1.901 1.00 31.42 H new ATOM 734 N ASN A 45 -5.442 14.283 4.548 1.00 4.42 N ATOM 735 CA ASN A 45 -6.737 13.708 4.967 1.00 73.34 C ATOM 736 C ASN A 45 -6.570 12.698 6.090 1.00 44.43 C ATOM 737 O ASN A 45 -7.505 12.433 6.841 1.00 51.12 O ATOM 738 CB ASN A 45 -7.486 13.060 3.799 1.00 71.20 C ATOM 739 CG ASN A 45 -8.994 12.917 4.058 1.00 60.24 C ATOM 740 OD1 ASN A 45 -9.408 11.843 4.676 1.00 13.53 O flip ATOM 741 ND2 ASN A 45 -9.765 13.800 3.714 1.00 64.35 N flip ATOM 0 H ASN A 45 -5.089 13.946 3.653 1.00 4.42 H new ATOM 0 HA ASN A 45 -7.332 14.544 5.335 1.00 73.34 H new ATOM 0 HB2 ASN A 45 -7.332 13.657 2.900 1.00 71.20 H new ATOM 0 HB3 ASN A 45 -7.061 12.075 3.604 1.00 71.20 H new ATOM 0 HD21 ASN A 45 -9.411 14.627 3.233 1.00 64.35 H new ATOM 0 HD22 ASN A 45 -10.762 13.710 3.908 1.00 64.35 H new ATOM 748 N ASN A 46 -5.368 12.138 6.191 1.00 51.01 N ATOM 749 CA ASN A 46 -5.012 11.094 7.183 1.00 73.20 C ATOM 750 C ASN A 46 -5.758 9.787 6.870 1.00 61.05 C ATOM 751 O ASN A 46 -5.824 8.875 7.669 1.00 31.13 O ATOM 752 CB ASN A 46 -5.230 11.589 8.650 1.00 54.42 C ATOM 753 CG ASN A 46 -4.640 10.656 9.723 1.00 43.04 C ATOM 754 OD1 ASN A 46 -3.462 10.764 10.065 1.00 33.21 O ATOM 755 ND2 ASN A 46 -5.441 9.782 10.282 1.00 31.11 N ATOM 0 H ASN A 46 -4.591 12.392 5.581 1.00 51.01 H new ATOM 0 HA ASN A 46 -3.945 10.884 7.102 1.00 73.20 H new ATOM 0 HB2 ASN A 46 -4.784 12.578 8.758 1.00 54.42 H new ATOM 0 HB3 ASN A 46 -6.299 11.701 8.829 1.00 54.42 H new ATOM 0 HD21 ASN A 46 -5.093 9.170 11.020 1.00 31.11 H new ATOM 0 HD22 ASN A 46 -6.413 9.714 9.979 1.00 31.11 H new ATOM 762 N ARG A 47 -6.261 9.692 5.657 1.00 63.31 N ATOM 763 CA ARG A 47 -6.962 8.550 5.226 1.00 10.12 C ATOM 764 C ARG A 47 -5.987 7.561 4.703 1.00 31.23 C ATOM 765 O ARG A 47 -5.006 7.924 4.076 1.00 1.41 O ATOM 766 CB ARG A 47 -7.912 8.941 4.143 1.00 73.32 C ATOM 767 CG ARG A 47 -8.721 7.838 3.582 1.00 45.31 C ATOM 768 CD ARG A 47 -9.627 8.357 2.483 1.00 21.41 C ATOM 769 NE ARG A 47 -10.499 7.324 1.926 1.00 51.04 N ATOM 770 CZ ARG A 47 -11.232 7.486 0.813 1.00 22.34 C ATOM 771 NH1 ARG A 47 -11.124 8.608 0.091 1.00 72.14 N ATOM 772 NH2 ARG A 47 -12.053 6.525 0.413 1.00 72.44 N ATOM 0 H ARG A 47 -6.182 10.425 4.952 1.00 63.31 H new ATOM 0 HA ARG A 47 -7.519 8.113 6.055 1.00 10.12 H new ATOM 0 HB2 ARG A 47 -8.587 9.703 4.533 1.00 73.32 H new ATOM 0 HB3 ARG A 47 -7.345 9.401 3.334 1.00 73.32 H new ATOM 0 HG2 ARG A 47 -8.066 7.062 3.186 1.00 45.31 H new ATOM 0 HG3 ARG A 47 -9.319 7.379 4.370 1.00 45.31 H new ATOM 0 HD2 ARG A 47 -10.239 9.168 2.877 1.00 21.41 H new ATOM 0 HD3 ARG A 47 -9.016 8.778 1.685 1.00 21.41 H new ATOM 0 HE ARG A 47 -10.554 6.428 2.411 1.00 51.04 H new ATOM 0 HH11 ARG A 47 -10.483 9.344 0.386 1.00 72.14 H new ATOM 0 HH12 ARG A 47 -11.683 8.727 -0.754 1.00 72.14 H new ATOM 0 HH21 ARG A 47 -12.128 5.662 0.951 1.00 72.44 H new ATOM 0 HH22 ARG A 47 -12.610 6.649 -0.433 1.00 72.44 H new ATOM 786 N GLN A 48 -6.253 6.361 4.962 1.00 24.52 N ATOM 787 CA GLN A 48 -5.438 5.294 4.554 1.00 22.05 C ATOM 788 C GLN A 48 -6.121 4.420 3.535 1.00 34.53 C ATOM 789 O GLN A 48 -7.212 3.910 3.763 1.00 60.33 O ATOM 790 CB GLN A 48 -4.948 4.516 5.760 1.00 5.43 C ATOM 791 CG GLN A 48 -4.316 3.201 5.413 1.00 74.21 C ATOM 792 CD GLN A 48 -3.513 2.611 6.548 1.00 62.22 C ATOM 793 OE1 GLN A 48 -2.936 3.332 7.358 1.00 11.30 O ATOM 794 NE2 GLN A 48 -3.476 1.308 6.632 1.00 4.12 N ATOM 0 H GLN A 48 -7.078 6.071 5.487 1.00 24.52 H new ATOM 0 HA GLN A 48 -4.563 5.704 4.050 1.00 22.05 H new ATOM 0 HB2 GLN A 48 -4.225 5.124 6.304 1.00 5.43 H new ATOM 0 HB3 GLN A 48 -5.787 4.339 6.433 1.00 5.43 H new ATOM 0 HG2 GLN A 48 -5.095 2.496 5.122 1.00 74.21 H new ATOM 0 HG3 GLN A 48 -3.667 3.334 4.547 1.00 74.21 H new ATOM 0 HE21 GLN A 48 -3.966 0.738 5.943 1.00 4.12 H new ATOM 0 HE22 GLN A 48 -2.957 0.860 7.387 1.00 4.12 H new ATOM 803 N VAL A 49 -5.482 4.282 2.407 1.00 40.22 N ATOM 804 CA VAL A 49 -5.951 3.448 1.328 1.00 71.02 C ATOM 805 C VAL A 49 -4.832 2.534 0.876 1.00 51.34 C ATOM 806 O VAL A 49 -3.655 2.895 0.961 1.00 53.54 O ATOM 807 CB VAL A 49 -6.484 4.280 0.110 1.00 12.23 C ATOM 808 CG1 VAL A 49 -7.729 5.071 0.489 1.00 50.21 C ATOM 809 CG2 VAL A 49 -5.412 5.223 -0.421 1.00 63.54 C ATOM 0 H VAL A 49 -4.601 4.755 2.205 1.00 40.22 H new ATOM 0 HA VAL A 49 -6.790 2.863 1.706 1.00 71.02 H new ATOM 0 HB VAL A 49 -6.747 3.573 -0.677 1.00 12.23 H new ATOM 0 HG11 VAL A 49 -8.077 5.638 -0.374 1.00 50.21 H new ATOM 0 HG12 VAL A 49 -8.512 4.385 0.811 1.00 50.21 H new ATOM 0 HG13 VAL A 49 -7.491 5.757 1.302 1.00 50.21 H new ATOM 0 HG21 VAL A 49 -5.809 5.787 -1.265 1.00 63.54 H new ATOM 0 HG22 VAL A 49 -5.111 5.913 0.367 1.00 63.54 H new ATOM 0 HG23 VAL A 49 -4.547 4.645 -0.746 1.00 63.54 H new ATOM 819 N CYS A 50 -5.184 1.355 0.470 1.00 33.44 N ATOM 820 CA CYS A 50 -4.227 0.407 -0.063 1.00 74.43 C ATOM 821 C CYS A 50 -3.670 0.911 -1.386 1.00 34.05 C ATOM 822 O CYS A 50 -4.409 1.408 -2.211 1.00 13.34 O ATOM 823 CB CYS A 50 -4.892 -0.964 -0.245 1.00 62.01 C ATOM 824 SG CYS A 50 -5.519 -1.691 1.316 1.00 5.15 S ATOM 0 H CYS A 50 -6.144 1.011 0.494 1.00 33.44 H new ATOM 0 HA CYS A 50 -3.401 0.302 0.641 1.00 74.43 H new ATOM 0 HB2 CYS A 50 -5.719 -0.866 -0.948 1.00 62.01 H new ATOM 0 HB3 CYS A 50 -4.173 -1.650 -0.692 1.00 62.01 H new ATOM 829 N ILE A 51 -2.380 0.800 -1.551 1.00 53.41 N ATOM 830 CA ILE A 51 -1.679 1.206 -2.762 1.00 64.53 C ATOM 831 C ILE A 51 -1.116 0.027 -3.495 1.00 74.32 C ATOM 832 O ILE A 51 -0.681 -0.950 -2.880 1.00 73.31 O ATOM 833 CB ILE A 51 -0.571 2.252 -2.534 1.00 74.35 C ATOM 834 CG1 ILE A 51 -0.051 2.233 -1.105 1.00 33.13 C ATOM 835 CG2 ILE A 51 -1.003 3.635 -2.969 1.00 34.15 C ATOM 836 CD1 ILE A 51 1.139 3.125 -0.888 1.00 64.43 C ATOM 0 H ILE A 51 -1.762 0.416 -0.836 1.00 53.41 H new ATOM 0 HA ILE A 51 -2.443 1.688 -3.372 1.00 64.53 H new ATOM 0 HB ILE A 51 0.267 1.970 -3.171 1.00 74.35 H new ATOM 0 HG12 ILE A 51 -0.852 2.538 -0.431 1.00 33.13 H new ATOM 0 HG13 ILE A 51 0.218 1.211 -0.838 1.00 33.13 H new ATOM 0 HG21 ILE A 51 -0.193 4.342 -2.791 1.00 34.15 H new ATOM 0 HG22 ILE A 51 -1.247 3.623 -4.031 1.00 34.15 H new ATOM 0 HG23 ILE A 51 -1.881 3.938 -2.399 1.00 34.15 H new ATOM 0 HD11 ILE A 51 1.456 3.062 0.153 1.00 64.43 H new ATOM 0 HD12 ILE A 51 1.955 2.807 -1.536 1.00 64.43 H new ATOM 0 HD13 ILE A 51 0.870 4.155 -1.123 1.00 64.43 H new ATOM 848 N ASP A 52 -1.136 0.116 -4.804 1.00 75.34 N ATOM 849 CA ASP A 52 -0.695 -0.987 -5.656 1.00 51.32 C ATOM 850 C ASP A 52 0.826 -0.925 -5.822 1.00 12.22 C ATOM 851 O ASP A 52 1.382 0.158 -6.082 1.00 62.44 O ATOM 852 CB ASP A 52 -1.372 -0.906 -7.043 1.00 73.33 C ATOM 853 CG ASP A 52 -1.152 -2.154 -7.895 1.00 60.12 C ATOM 854 OD1 ASP A 52 -0.020 -2.419 -8.305 1.00 74.33 O ATOM 855 OD2 ASP A 52 -2.145 -2.882 -8.184 1.00 41.14 O ATOM 0 H ASP A 52 -1.453 0.941 -5.314 1.00 75.34 H new ATOM 0 HA ASP A 52 -0.977 -1.929 -5.186 1.00 51.32 H new ATOM 0 HB2 ASP A 52 -2.442 -0.750 -6.909 1.00 73.33 H new ATOM 0 HB3 ASP A 52 -0.988 -0.037 -7.577 1.00 73.33 H new ATOM 860 N PRO A 53 1.524 -2.075 -5.680 1.00 41.43 N ATOM 861 CA PRO A 53 2.984 -2.144 -5.811 1.00 73.24 C ATOM 862 C PRO A 53 3.514 -1.814 -7.221 1.00 63.33 C ATOM 863 O PRO A 53 4.730 -1.807 -7.441 1.00 51.30 O ATOM 864 CB PRO A 53 3.334 -3.585 -5.406 1.00 62.35 C ATOM 865 CG PRO A 53 2.075 -4.356 -5.579 1.00 43.50 C ATOM 866 CD PRO A 53 0.942 -3.390 -5.349 1.00 73.04 C ATOM 0 HA PRO A 53 3.457 -1.388 -5.184 1.00 73.24 H new ATOM 0 HB2 PRO A 53 4.131 -3.987 -6.032 1.00 62.35 H new ATOM 0 HB3 PRO A 53 3.685 -3.630 -4.375 1.00 62.35 H new ATOM 0 HG2 PRO A 53 2.019 -4.787 -6.579 1.00 43.50 H new ATOM 0 HG3 PRO A 53 2.028 -5.184 -4.872 1.00 43.50 H new ATOM 0 HD2 PRO A 53 0.086 -3.619 -5.984 1.00 73.04 H new ATOM 0 HD3 PRO A 53 0.592 -3.424 -4.317 1.00 73.04 H new ATOM 874 N LYS A 54 2.616 -1.550 -8.177 1.00 72.22 N ATOM 875 CA LYS A 54 3.044 -1.113 -9.502 1.00 51.52 C ATOM 876 C LYS A 54 3.666 0.260 -9.466 1.00 62.12 C ATOM 877 O LYS A 54 4.410 0.621 -10.388 1.00 31.10 O ATOM 878 CB LYS A 54 1.924 -1.143 -10.547 1.00 24.21 C ATOM 879 CG LYS A 54 1.495 -2.527 -10.941 1.00 12.55 C ATOM 880 CD LYS A 54 0.457 -2.501 -12.038 1.00 32.11 C ATOM 881 CE LYS A 54 0.143 -3.906 -12.511 1.00 12.43 C ATOM 882 NZ LYS A 54 1.347 -4.599 -13.032 1.00 42.13 N ATOM 0 H LYS A 54 1.606 -1.631 -8.058 1.00 72.22 H new ATOM 0 HA LYS A 54 3.796 -1.840 -9.809 1.00 51.52 H new ATOM 0 HB2 LYS A 54 1.061 -0.604 -10.156 1.00 24.21 H new ATOM 0 HB3 LYS A 54 2.257 -0.609 -11.437 1.00 24.21 H new ATOM 0 HG2 LYS A 54 2.363 -3.095 -11.275 1.00 12.55 H new ATOM 0 HG3 LYS A 54 1.091 -3.044 -10.071 1.00 12.55 H new ATOM 0 HD2 LYS A 54 -0.452 -2.023 -11.674 1.00 32.11 H new ATOM 0 HD3 LYS A 54 0.819 -1.903 -12.874 1.00 32.11 H new ATOM 0 HE2 LYS A 54 -0.278 -4.481 -11.686 1.00 12.43 H new ATOM 0 HE3 LYS A 54 -0.617 -3.865 -13.291 1.00 12.43 H new ATOM 0 HZ1 LYS A 54 1.096 -5.135 -13.887 1.00 42.13 H new ATOM 0 HZ2 LYS A 54 2.078 -3.897 -13.265 1.00 42.13 H new ATOM 0 HZ3 LYS A 54 1.712 -5.251 -12.309 1.00 42.13 H new ATOM 896 N LEU A 55 3.371 1.036 -8.415 1.00 43.10 N ATOM 897 CA LEU A 55 3.940 2.355 -8.283 1.00 40.42 C ATOM 898 C LEU A 55 5.442 2.246 -8.127 1.00 65.14 C ATOM 899 O LEU A 55 5.955 1.735 -7.128 1.00 41.24 O ATOM 900 CB LEU A 55 3.325 3.110 -7.117 1.00 1.31 C ATOM 901 CG LEU A 55 1.816 3.348 -7.191 1.00 13.02 C ATOM 902 CD1 LEU A 55 1.327 4.077 -5.951 1.00 75.34 C ATOM 903 CD2 LEU A 55 1.469 4.136 -8.442 1.00 61.11 C ATOM 0 H LEU A 55 2.745 0.763 -7.657 1.00 43.10 H new ATOM 0 HA LEU A 55 3.716 2.922 -9.186 1.00 40.42 H new ATOM 0 HB2 LEU A 55 3.541 2.561 -6.200 1.00 1.31 H new ATOM 0 HB3 LEU A 55 3.821 4.077 -7.034 1.00 1.31 H new ATOM 0 HG LEU A 55 1.316 2.381 -7.238 1.00 13.02 H new ATOM 0 HD11 LEU A 55 0.251 4.237 -6.023 1.00 75.34 H new ATOM 0 HD12 LEU A 55 1.546 3.479 -5.067 1.00 75.34 H new ATOM 0 HD13 LEU A 55 1.832 5.040 -5.872 1.00 75.34 H new ATOM 0 HD21 LEU A 55 0.392 4.299 -8.483 1.00 61.11 H new ATOM 0 HD22 LEU A 55 1.981 5.098 -8.420 1.00 61.11 H new ATOM 0 HD23 LEU A 55 1.785 3.578 -9.323 1.00 61.11 H new ATOM 915 N LYS A 56 6.124 2.728 -9.120 1.00 11.31 N ATOM 916 CA LYS A 56 7.560 2.623 -9.233 1.00 14.12 C ATOM 917 C LYS A 56 8.254 3.402 -8.114 1.00 12.33 C ATOM 918 O LYS A 56 9.331 3.017 -7.656 1.00 20.02 O ATOM 919 CB LYS A 56 7.969 3.064 -10.664 1.00 14.32 C ATOM 920 CG LYS A 56 9.439 2.904 -11.084 1.00 45.45 C ATOM 921 CD LYS A 56 10.360 3.975 -10.532 1.00 50.44 C ATOM 922 CE LYS A 56 11.745 3.821 -11.125 1.00 31.54 C ATOM 923 NZ LYS A 56 12.646 4.923 -10.748 1.00 13.34 N ATOM 0 H LYS A 56 5.691 3.221 -9.901 1.00 11.31 H new ATOM 0 HA LYS A 56 7.890 1.593 -9.099 1.00 14.12 H new ATOM 0 HB2 LYS A 56 7.358 2.504 -11.372 1.00 14.32 H new ATOM 0 HB3 LYS A 56 7.704 4.115 -10.776 1.00 14.32 H new ATOM 0 HG2 LYS A 56 9.796 1.928 -10.755 1.00 45.45 H new ATOM 0 HG3 LYS A 56 9.498 2.915 -12.172 1.00 45.45 H new ATOM 0 HD2 LYS A 56 9.963 4.963 -10.765 1.00 50.44 H new ATOM 0 HD3 LYS A 56 10.410 3.899 -9.446 1.00 50.44 H new ATOM 0 HE2 LYS A 56 12.175 2.875 -10.795 1.00 31.54 H new ATOM 0 HE3 LYS A 56 11.668 3.774 -12.211 1.00 31.54 H new ATOM 0 HZ1 LYS A 56 13.412 5.000 -11.447 1.00 13.34 H new ATOM 0 HZ2 LYS A 56 12.111 5.815 -10.721 1.00 13.34 H new ATOM 0 HZ3 LYS A 56 13.052 4.734 -9.809 1.00 13.34 H new ATOM 937 N TRP A 57 7.617 4.462 -7.640 1.00 63.43 N ATOM 938 CA TRP A 57 8.179 5.232 -6.560 1.00 23.44 C ATOM 939 C TRP A 57 8.148 4.429 -5.251 1.00 41.34 C ATOM 940 O TRP A 57 9.040 4.555 -4.437 1.00 63.41 O ATOM 941 CB TRP A 57 7.495 6.621 -6.396 1.00 73.54 C ATOM 942 CG TRP A 57 6.052 6.613 -5.934 1.00 64.23 C ATOM 943 CD1 TRP A 57 4.924 6.725 -6.697 1.00 52.23 C ATOM 944 CD2 TRP A 57 5.604 6.505 -4.582 1.00 42.12 C ATOM 945 NE1 TRP A 57 3.806 6.688 -5.890 1.00 60.44 N ATOM 946 CE2 TRP A 57 4.200 6.545 -4.593 1.00 62.54 C ATOM 947 CE3 TRP A 57 6.263 6.369 -3.365 1.00 31.45 C ATOM 948 CZ2 TRP A 57 3.448 6.455 -3.425 1.00 21.54 C ATOM 949 CZ3 TRP A 57 5.528 6.276 -2.223 1.00 43.10 C ATOM 950 CH2 TRP A 57 4.134 6.318 -2.254 1.00 54.42 C ATOM 0 H TRP A 57 6.720 4.800 -7.987 1.00 63.43 H new ATOM 0 HA TRP A 57 9.219 5.434 -6.814 1.00 23.44 H new ATOM 0 HB2 TRP A 57 8.078 7.207 -5.685 1.00 73.54 H new ATOM 0 HB3 TRP A 57 7.544 7.141 -7.353 1.00 73.54 H new ATOM 0 HD1 TRP A 57 4.910 6.827 -7.772 1.00 52.23 H new ATOM 0 HE1 TRP A 57 2.841 6.757 -6.212 1.00 60.44 H new ATOM 0 HE3 TRP A 57 7.342 6.338 -3.326 1.00 31.45 H new ATOM 0 HZ2 TRP A 57 2.369 6.492 -3.445 1.00 21.54 H new ATOM 0 HZ3 TRP A 57 6.034 6.168 -1.275 1.00 43.10 H new ATOM 0 HH2 TRP A 57 3.584 6.240 -1.328 1.00 54.42 H new ATOM 961 N ILE A 58 7.114 3.591 -5.086 1.00 30.22 N ATOM 962 CA ILE A 58 6.925 2.735 -3.891 1.00 30.40 C ATOM 963 C ILE A 58 8.076 1.785 -3.734 1.00 50.40 C ATOM 964 O ILE A 58 8.702 1.717 -2.679 1.00 1.24 O ATOM 965 CB ILE A 58 5.617 1.883 -4.052 1.00 41.22 C ATOM 966 CG1 ILE A 58 4.365 2.697 -3.794 1.00 31.50 C ATOM 967 CG2 ILE A 58 5.627 0.625 -3.209 1.00 62.11 C ATOM 968 CD1 ILE A 58 4.221 3.116 -2.377 1.00 22.22 C ATOM 0 H ILE A 58 6.375 3.483 -5.781 1.00 30.22 H new ATOM 0 HA ILE A 58 6.859 3.384 -3.018 1.00 30.40 H new ATOM 0 HB ILE A 58 5.599 1.569 -5.096 1.00 41.22 H new ATOM 0 HG12 ILE A 58 4.379 3.583 -4.429 1.00 31.50 H new ATOM 0 HG13 ILE A 58 3.493 2.111 -4.083 1.00 31.50 H new ATOM 0 HG21 ILE A 58 4.697 0.077 -3.362 1.00 62.11 H new ATOM 0 HG22 ILE A 58 6.470 -0.002 -3.501 1.00 62.11 H new ATOM 0 HG23 ILE A 58 5.721 0.893 -2.157 1.00 62.11 H new ATOM 0 HD11 ILE A 58 3.305 3.695 -2.260 1.00 22.22 H new ATOM 0 HD12 ILE A 58 4.176 2.233 -1.739 1.00 22.22 H new ATOM 0 HD13 ILE A 58 5.076 3.728 -2.090 1.00 22.22 H new ATOM 980 N GLN A 59 8.372 1.088 -4.785 1.00 72.40 N ATOM 981 CA GLN A 59 9.396 0.093 -4.743 1.00 34.24 C ATOM 982 C GLN A 59 10.770 0.712 -4.640 1.00 23.44 C ATOM 983 O GLN A 59 11.654 0.166 -4.006 1.00 4.54 O ATOM 984 CB GLN A 59 9.256 -0.878 -5.896 1.00 60.45 C ATOM 985 CG GLN A 59 9.067 -0.226 -7.248 1.00 15.12 C ATOM 986 CD GLN A 59 8.859 -1.234 -8.342 1.00 52.11 C ATOM 987 OE1 GLN A 59 8.320 -2.376 -7.998 1.00 42.43 O flip ATOM 988 NE2 GLN A 59 9.201 -0.989 -9.496 1.00 11.43 N flip ATOM 0 H GLN A 59 7.914 1.191 -5.691 1.00 72.40 H new ATOM 0 HA GLN A 59 9.270 -0.493 -3.832 1.00 34.24 H new ATOM 0 HB2 GLN A 59 10.144 -1.509 -5.932 1.00 60.45 H new ATOM 0 HB3 GLN A 59 8.407 -1.533 -5.701 1.00 60.45 H new ATOM 0 HG2 GLN A 59 8.210 0.446 -7.208 1.00 15.12 H new ATOM 0 HG3 GLN A 59 9.940 0.384 -7.480 1.00 15.12 H new ATOM 0 HE21 GLN A 59 9.618 -0.086 -9.724 1.00 11.43 H new ATOM 0 HE22 GLN A 59 9.068 -1.688 -10.227 1.00 11.43 H new ATOM 997 N GLU A 60 10.927 1.884 -5.207 1.00 23.00 N ATOM 998 CA GLU A 60 12.190 2.593 -5.112 1.00 74.41 C ATOM 999 C GLU A 60 12.329 3.247 -3.733 1.00 54.42 C ATOM 1000 O GLU A 60 13.397 3.729 -3.341 1.00 55.45 O ATOM 1001 CB GLU A 60 12.328 3.621 -6.241 1.00 3.54 C ATOM 1002 CG GLU A 60 13.655 4.355 -6.265 1.00 15.23 C ATOM 1003 CD GLU A 60 13.735 5.381 -7.348 1.00 21.22 C ATOM 1004 OE1 GLU A 60 13.986 5.006 -8.501 1.00 63.33 O ATOM 1005 OE2 GLU A 60 13.547 6.585 -7.068 1.00 12.20 O ATOM 0 H GLU A 60 10.203 2.369 -5.737 1.00 23.00 H new ATOM 0 HA GLU A 60 13.002 1.876 -5.227 1.00 74.41 H new ATOM 0 HB2 GLU A 60 12.191 3.114 -7.196 1.00 3.54 H new ATOM 0 HB3 GLU A 60 11.525 4.352 -6.150 1.00 3.54 H new ATOM 0 HG2 GLU A 60 13.814 4.839 -5.301 1.00 15.23 H new ATOM 0 HG3 GLU A 60 14.461 3.633 -6.396 1.00 15.23 H new ATOM 1012 N TYR A 61 11.275 3.221 -3.004 1.00 13.22 N ATOM 1013 CA TYR A 61 11.233 3.827 -1.731 1.00 51.52 C ATOM 1014 C TYR A 61 11.350 2.759 -0.659 1.00 12.34 C ATOM 1015 O TYR A 61 12.389 2.591 -0.041 1.00 72.40 O ATOM 1016 CB TYR A 61 9.909 4.631 -1.600 1.00 60.04 C ATOM 1017 CG TYR A 61 9.662 5.278 -0.270 1.00 20.43 C ATOM 1018 CD1 TYR A 61 9.102 4.554 0.746 1.00 61.13 C ATOM 1019 CD2 TYR A 61 9.986 6.600 -0.035 1.00 1.42 C ATOM 1020 CE1 TYR A 61 8.869 5.117 1.981 1.00 3.43 C ATOM 1021 CE2 TYR A 61 9.756 7.179 1.192 1.00 12.13 C ATOM 1022 CZ TYR A 61 9.198 6.430 2.198 1.00 4.02 C ATOM 1023 OH TYR A 61 8.961 6.999 3.423 1.00 33.51 O ATOM 0 H TYR A 61 10.404 2.770 -3.282 1.00 13.22 H new ATOM 0 HA TYR A 61 12.067 4.517 -1.606 1.00 51.52 H new ATOM 0 HB2 TYR A 61 9.901 5.406 -2.366 1.00 60.04 H new ATOM 0 HB3 TYR A 61 9.077 3.961 -1.816 1.00 60.04 H new ATOM 0 HD1 TYR A 61 8.837 3.521 0.577 1.00 61.13 H new ATOM 0 HD2 TYR A 61 10.427 7.188 -0.826 1.00 1.42 H new ATOM 0 HE1 TYR A 61 8.430 4.528 2.773 1.00 3.43 H new ATOM 0 HE2 TYR A 61 10.012 8.214 1.362 1.00 12.13 H new ATOM 0 HH TYR A 61 9.253 7.935 3.411 1.00 33.51 H new ATOM 1033 N LEU A 62 10.322 1.985 -0.524 1.00 44.23 N ATOM 1034 CA LEU A 62 10.202 1.053 0.565 1.00 60.12 C ATOM 1035 C LEU A 62 11.066 -0.170 0.319 1.00 60.41 C ATOM 1036 O LEU A 62 11.462 -0.870 1.246 1.00 44.34 O ATOM 1037 CB LEU A 62 8.738 0.673 0.688 1.00 3.01 C ATOM 1038 CG LEU A 62 8.181 0.422 2.104 1.00 54.33 C ATOM 1039 CD1 LEU A 62 8.788 -0.797 2.767 1.00 11.40 C ATOM 1040 CD2 LEU A 62 8.397 1.640 2.963 1.00 53.23 C ATOM 0 H LEU A 62 9.532 1.977 -1.169 1.00 44.23 H new ATOM 0 HA LEU A 62 10.548 1.506 1.494 1.00 60.12 H new ATOM 0 HB2 LEU A 62 8.146 1.465 0.230 1.00 3.01 H new ATOM 0 HB3 LEU A 62 8.575 -0.229 0.098 1.00 3.01 H new ATOM 0 HG LEU A 62 7.114 0.226 1.998 1.00 54.33 H new ATOM 0 HD11 LEU A 62 8.358 -0.923 3.761 1.00 11.40 H new ATOM 0 HD12 LEU A 62 8.577 -1.681 2.165 1.00 11.40 H new ATOM 0 HD13 LEU A 62 9.867 -0.665 2.853 1.00 11.40 H new ATOM 0 HD21 LEU A 62 8.001 1.456 3.962 1.00 53.23 H new ATOM 0 HD22 LEU A 62 9.464 1.854 3.029 1.00 53.23 H new ATOM 0 HD23 LEU A 62 7.883 2.493 2.521 1.00 53.23 H new ATOM 1052 N GLU A 63 11.397 -0.389 -0.908 1.00 42.34 N ATOM 1053 CA GLU A 63 12.171 -1.555 -1.242 1.00 14.54 C ATOM 1054 C GLU A 63 13.595 -1.210 -1.583 1.00 42.21 C ATOM 1055 O GLU A 63 14.496 -1.963 -1.289 1.00 51.43 O ATOM 1056 CB GLU A 63 11.505 -2.408 -2.326 1.00 5.55 C ATOM 1057 CG GLU A 63 10.350 -3.266 -1.816 1.00 13.14 C ATOM 1058 CD GLU A 63 10.837 -4.354 -0.878 1.00 13.33 C ATOM 1059 OE1 GLU A 63 11.385 -5.367 -1.372 1.00 53.44 O ATOM 1060 OE2 GLU A 63 10.676 -4.231 0.362 1.00 43.33 O ATOM 0 H GLU A 63 11.151 0.211 -1.695 1.00 42.34 H new ATOM 0 HA GLU A 63 12.204 -2.172 -0.344 1.00 14.54 H new ATOM 0 HB2 GLU A 63 11.137 -1.752 -3.115 1.00 5.55 H new ATOM 0 HB3 GLU A 63 12.256 -3.057 -2.776 1.00 5.55 H new ATOM 0 HG2 GLU A 63 9.627 -2.635 -1.299 1.00 13.14 H new ATOM 0 HG3 GLU A 63 9.831 -3.718 -2.661 1.00 13.14 H new ATOM 1067 N LYS A 64 13.817 -0.055 -2.152 1.00 30.21 N ATOM 1068 CA LYS A 64 15.181 0.292 -2.527 1.00 45.14 C ATOM 1069 C LYS A 64 15.876 1.085 -1.443 1.00 1.13 C ATOM 1070 O LYS A 64 17.096 1.058 -1.334 1.00 21.53 O ATOM 1071 CB LYS A 64 15.255 1.022 -3.874 1.00 32.55 C ATOM 1072 CG LYS A 64 14.742 0.221 -5.071 1.00 2.20 C ATOM 1073 CD LYS A 64 15.508 -1.073 -5.273 1.00 22.51 C ATOM 1074 CE LYS A 64 15.021 -1.812 -6.509 1.00 31.23 C ATOM 1075 NZ LYS A 64 15.734 -3.090 -6.707 1.00 35.35 N ATOM 0 H LYS A 64 13.107 0.646 -2.364 1.00 30.21 H new ATOM 0 HA LYS A 64 15.712 -0.652 -2.646 1.00 45.14 H new ATOM 0 HB2 LYS A 64 14.682 1.946 -3.802 1.00 32.55 H new ATOM 0 HB3 LYS A 64 16.291 1.304 -4.061 1.00 32.55 H new ATOM 0 HG2 LYS A 64 13.685 -0.004 -4.928 1.00 2.20 H new ATOM 0 HG3 LYS A 64 14.819 0.830 -5.972 1.00 2.20 H new ATOM 0 HD2 LYS A 64 16.572 -0.858 -5.370 1.00 22.51 H new ATOM 0 HD3 LYS A 64 15.391 -1.709 -4.396 1.00 22.51 H new ATOM 0 HE2 LYS A 64 13.952 -2.004 -6.419 1.00 31.23 H new ATOM 0 HE3 LYS A 64 15.159 -1.180 -7.387 1.00 31.23 H new ATOM 0 HZ1 LYS A 64 15.371 -3.561 -7.560 1.00 35.35 H new ATOM 0 HZ2 LYS A 64 16.751 -2.906 -6.819 1.00 35.35 H new ATOM 0 HZ3 LYS A 64 15.582 -3.704 -5.881 1.00 35.35 H new ATOM 1089 N ALA A 65 15.115 1.789 -0.644 1.00 51.22 N ATOM 1090 CA ALA A 65 15.714 2.585 0.417 1.00 44.25 C ATOM 1091 C ALA A 65 15.569 1.899 1.761 1.00 50.34 C ATOM 1092 O ALA A 65 16.478 1.919 2.587 1.00 63.42 O ATOM 1093 CB ALA A 65 15.091 3.968 0.467 1.00 15.12 C ATOM 0 H ALA A 65 14.097 1.833 -0.698 1.00 51.22 H new ATOM 0 HA ALA A 65 16.777 2.687 0.196 1.00 44.25 H new ATOM 0 HB1 ALA A 65 15.553 4.546 1.267 1.00 15.12 H new ATOM 0 HB2 ALA A 65 15.251 4.474 -0.485 1.00 15.12 H new ATOM 0 HB3 ALA A 65 14.021 3.879 0.655 1.00 15.12 H new ATOM 1099 N LEU A 66 14.432 1.285 1.964 1.00 55.33 N ATOM 1100 CA LEU A 66 14.107 0.638 3.234 1.00 1.52 C ATOM 1101 C LEU A 66 14.522 -0.802 3.305 1.00 14.21 C ATOM 1102 O LEU A 66 14.410 -1.439 4.354 1.00 14.43 O ATOM 1103 CB LEU A 66 12.623 0.789 3.617 1.00 12.32 C ATOM 1104 CG LEU A 66 12.133 2.170 4.144 1.00 5.01 C ATOM 1105 CD1 LEU A 66 12.888 2.576 5.392 1.00 51.55 C ATOM 1106 CD2 LEU A 66 12.227 3.265 3.093 1.00 64.32 C ATOM 0 H LEU A 66 13.697 1.213 1.261 1.00 55.33 H new ATOM 0 HA LEU A 66 14.704 1.177 3.970 1.00 1.52 H new ATOM 0 HB2 LEU A 66 12.026 0.537 2.740 1.00 12.32 H new ATOM 0 HB3 LEU A 66 12.399 0.044 4.380 1.00 12.32 H new ATOM 0 HG LEU A 66 11.078 2.048 4.391 1.00 5.01 H new ATOM 0 HD11 LEU A 66 12.525 3.544 5.738 1.00 51.55 H new ATOM 0 HD12 LEU A 66 12.731 1.830 6.171 1.00 51.55 H new ATOM 0 HD13 LEU A 66 13.952 2.647 5.167 1.00 51.55 H new ATOM 0 HD21 LEU A 66 11.873 4.206 3.515 1.00 64.32 H new ATOM 0 HD22 LEU A 66 13.264 3.377 2.776 1.00 64.32 H new ATOM 0 HD23 LEU A 66 11.612 2.998 2.234 1.00 64.32 H new ATOM 1118 N ASN A 67 14.970 -1.330 2.230 1.00 74.55 N ATOM 1119 CA ASN A 67 15.271 -2.728 2.217 1.00 22.24 C ATOM 1120 C ASN A 67 16.590 -2.954 1.539 1.00 22.03 C ATOM 1121 O ASN A 67 17.525 -3.471 2.149 1.00 2.11 O ATOM 1122 CB ASN A 67 14.163 -3.438 1.462 1.00 11.22 C ATOM 1123 CG ASN A 67 14.130 -4.930 1.647 1.00 63.53 C ATOM 1124 OD1 ASN A 67 15.147 -5.597 1.849 1.00 33.22 O ATOM 1125 ND2 ASN A 67 12.955 -5.457 1.597 1.00 51.41 N ATOM 0 H ASN A 67 15.138 -0.834 1.355 1.00 74.55 H new ATOM 0 HA ASN A 67 15.338 -3.116 3.233 1.00 22.24 H new ATOM 0 HB2 ASN A 67 13.205 -3.025 1.778 1.00 11.22 H new ATOM 0 HB3 ASN A 67 14.269 -3.220 0.399 1.00 11.22 H new ATOM 0 HD21 ASN A 67 12.841 -6.462 1.727 1.00 51.41 H new ATOM 0 HD22 ASN A 67 12.139 -4.869 1.427 1.00 51.41 H new ATOM 1132 N LYS A 68 16.653 -2.502 0.297 1.00 64.22 N ATOM 1133 CA LYS A 68 17.787 -2.679 -0.615 1.00 52.41 C ATOM 1134 C LYS A 68 18.360 -4.100 -0.598 1.00 65.20 C ATOM 1135 O LYS A 68 19.307 -4.384 0.140 1.00 39.16 O ATOM 1136 CB LYS A 68 18.867 -1.579 -0.506 1.00 42.12 C ATOM 1137 CG LYS A 68 19.522 -1.412 0.849 1.00 34.44 C ATOM 1138 CD LYS A 68 20.599 -0.371 0.778 1.00 62.35 C ATOM 1139 CE LYS A 68 21.293 -0.189 2.103 1.00 64.30 C ATOM 1140 NZ LYS A 68 22.377 0.797 2.001 1.00 22.55 N ATOM 1141 OXT LYS A 68 17.826 -4.954 -1.321 1.00 39.16 O ATOM 0 H LYS A 68 15.887 -1.979 -0.127 1.00 64.22 H new ATOM 0 HA LYS A 68 17.364 -2.545 -1.610 1.00 52.41 H new ATOM 0 HB2 LYS A 68 19.646 -1.791 -1.238 1.00 42.12 H new ATOM 0 HB3 LYS A 68 18.415 -0.628 -0.787 1.00 42.12 H new ATOM 0 HG2 LYS A 68 18.775 -1.124 1.589 1.00 34.44 H new ATOM 0 HG3 LYS A 68 19.945 -2.362 1.176 1.00 34.44 H new ATOM 0 HD2 LYS A 68 21.330 -0.656 0.021 1.00 62.35 H new ATOM 0 HD3 LYS A 68 20.166 0.578 0.461 1.00 62.35 H new ATOM 0 HE2 LYS A 68 20.572 0.135 2.853 1.00 64.30 H new ATOM 0 HE3 LYS A 68 21.696 -1.144 2.440 1.00 64.30 H new ATOM 0 HZ1 LYS A 68 22.838 0.903 2.927 1.00 22.55 H new ATOM 0 HZ2 LYS A 68 23.075 0.474 1.301 1.00 22.55 H new ATOM 0 HZ3 LYS A 68 21.986 1.713 1.702 1.00 22.55 H new TER 1155 LYS A 68