USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 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 72 CYS SG : rot 71:sc= -0.48 USER MOD Set 1.2: A 75 CYS SG : rot -53:sc= -1.91 USER MOD Set 1.3: A 88 HIS : no HD1:sc= -1.47! C(o=-4.8!,f=-10!) USER MOD Set 1.4: A 89 GLN : amide:sc= -0.0587 K(o=-4.8,f=-3.8) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -0.856 K(o=-4.8,f=-3.8) USER MOD Set 2.1: A 71 THR OG1 : rot 164:sc= 0.972 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -0.43 USER MOD Set 3.2: A 48 CYS SG : rot -49:sc= -6.32! USER MOD Set 3.3: A 61 HIS : no HE2:sc= -0.904 K(o=-7.9,f=-13!) USER MOD Set 3.4: A 65 CYS SG : rot 94:sc= -0.239 USER MOD Set 4.1: A 19 CYS SG : rot 80:sc= -1.04 USER MOD Set 4.2: A 22 CYS SG : rot -41:sc= 0.344 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -0.814 X(o=-2.6,f=-2.8) USER MOD Set 4.4: A 39 CYS SG : rot -36:sc= -1.05 USER MOD Single : A 2 SER OG : rot -38:sc= 0.0268 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00122 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.48) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -34:sc= 0.119 USER MOD Single : A 28 SER OG : rot 14:sc= 1.04 USER MOD Single : A 32 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.97! C(o=-4!,f=-3.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -57:sc= 0.0181 USER MOD Single : A 54 SER OG : rot 180:sc= -1.31 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.69) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD Single : A 76 MET CE :methyl 163:sc= -2.7 (180deg=-3.01!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.31 K(o=-2.3,f=-6.9!) USER MOD Single : A 95 GLN : amide:sc= -2.45! C(o=-2.5!,f=-2.4!) USER MOD Single : A 96 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -39.462 5.395 -46.315 1.00 0.00 N ATOM 9 CA SER A 2 -40.023 5.433 -44.969 1.00 0.00 C ATOM 10 C SER A 2 -39.301 4.450 -44.052 1.00 0.00 C ATOM 11 O SER A 2 -38.427 3.702 -44.490 1.00 0.00 O ATOM 12 CB SER A 2 -41.518 5.107 -45.008 1.00 0.00 C ATOM 13 OG SER A 2 -41.741 3.788 -45.475 1.00 0.00 O ATOM 0 HA SER A 2 -39.887 6.440 -44.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.944 5.220 -44.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.031 5.817 -45.656 1.00 0.00 H new ATOM 0 HG SER A 2 -41.103 3.582 -46.190 1.00 0.00 H new ATOM 19 N SER A 3 -39.674 4.458 -42.776 1.00 0.00 N ATOM 20 CA SER A 3 -39.059 3.571 -41.795 1.00 0.00 C ATOM 21 C SER A 3 -39.917 3.477 -40.536 1.00 0.00 C ATOM 22 O SER A 3 -40.111 4.464 -39.828 1.00 0.00 O ATOM 23 CB SER A 3 -37.658 4.067 -41.435 1.00 0.00 C ATOM 24 OG SER A 3 -36.808 2.987 -41.089 1.00 0.00 O ATOM 0 H SER A 3 -40.398 5.068 -42.398 1.00 0.00 H new ATOM 0 HA SER A 3 -38.982 2.578 -42.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.234 4.612 -42.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.720 4.767 -40.602 1.00 0.00 H new ATOM 0 HG SER A 3 -35.918 3.330 -40.865 1.00 0.00 H new ATOM 30 N GLY A 4 -40.428 2.280 -40.265 1.00 0.00 N ATOM 31 CA GLY A 4 -41.259 2.077 -39.092 1.00 0.00 C ATOM 32 C GLY A 4 -40.447 1.736 -37.858 1.00 0.00 C ATOM 33 O GLY A 4 -39.284 2.123 -37.745 1.00 0.00 O ATOM 0 H GLY A 4 -40.282 1.448 -40.836 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -41.841 2.979 -38.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.970 1.274 -39.289 1.00 0.00 H new ATOM 37 N SER A 5 -41.062 1.009 -36.930 1.00 0.00 N ATOM 38 CA SER A 5 -40.390 0.621 -35.695 1.00 0.00 C ATOM 39 C SER A 5 -41.192 -0.444 -34.953 1.00 0.00 C ATOM 40 O SER A 5 -42.408 -0.545 -35.112 1.00 0.00 O ATOM 41 CB SER A 5 -40.185 1.841 -34.795 1.00 0.00 C ATOM 42 OG SER A 5 -39.033 1.689 -33.985 1.00 0.00 O ATOM 0 H SER A 5 -42.023 0.677 -37.010 1.00 0.00 H new ATOM 0 HA SER A 5 -39.417 0.204 -35.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.087 2.737 -35.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 -41.062 1.982 -34.163 1.00 0.00 H new ATOM 0 HG SER A 5 -38.923 2.482 -33.420 1.00 0.00 H new ATOM 48 N SER A 6 -40.500 -1.238 -34.141 1.00 0.00 N ATOM 49 CA SER A 6 -41.145 -2.299 -33.377 1.00 0.00 C ATOM 50 C SER A 6 -40.585 -2.365 -31.959 1.00 0.00 C ATOM 51 O SER A 6 -39.581 -1.726 -31.646 1.00 0.00 O ATOM 52 CB SER A 6 -40.957 -3.647 -34.075 1.00 0.00 C ATOM 53 OG SER A 6 -41.858 -4.615 -33.565 1.00 0.00 O ATOM 0 H SER A 6 -39.493 -1.166 -33.996 1.00 0.00 H new ATOM 0 HA SER A 6 -42.210 -2.074 -33.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 -41.113 -3.530 -35.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 -39.932 -3.991 -33.938 1.00 0.00 H new ATOM 0 HG SER A 6 -41.719 -5.467 -34.028 1.00 0.00 H new ATOM 59 N GLY A 7 -41.241 -3.144 -31.105 1.00 0.00 N ATOM 60 CA GLY A 7 -40.795 -3.280 -29.731 1.00 0.00 C ATOM 61 C GLY A 7 -40.108 -4.607 -29.474 1.00 0.00 C ATOM 62 O GLY A 7 -39.789 -5.340 -30.409 1.00 0.00 O ATOM 0 H GLY A 7 -42.074 -3.684 -31.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -40.109 -2.467 -29.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -41.651 -3.182 -29.063 1.00 0.00 H new ATOM 66 N ALA A 8 -39.879 -4.916 -28.201 1.00 0.00 N ATOM 67 CA ALA A 8 -39.226 -6.163 -27.823 1.00 0.00 C ATOM 68 C ALA A 8 -39.694 -6.633 -26.450 1.00 0.00 C ATOM 69 O ALA A 8 -40.284 -5.867 -25.689 1.00 0.00 O ATOM 70 CB ALA A 8 -37.714 -5.993 -27.839 1.00 0.00 C ATOM 0 H ALA A 8 -40.136 -4.319 -27.415 1.00 0.00 H new ATOM 0 HA ALA A 8 -39.502 -6.925 -28.552 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -37.239 -6.932 -27.555 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -37.390 -5.711 -28.841 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -37.428 -5.214 -27.133 1.00 0.00 H new ATOM 76 N SER A 9 -39.426 -7.897 -26.140 1.00 0.00 N ATOM 77 CA SER A 9 -39.824 -8.471 -24.859 1.00 0.00 C ATOM 78 C SER A 9 -38.611 -8.676 -23.956 1.00 0.00 C ATOM 79 O SER A 9 -37.650 -9.359 -24.310 1.00 0.00 O ATOM 80 CB SER A 9 -40.544 -9.803 -25.075 1.00 0.00 C ATOM 81 OG SER A 9 -40.880 -10.408 -23.838 1.00 0.00 O ATOM 0 H SER A 9 -38.935 -8.544 -26.758 1.00 0.00 H new ATOM 0 HA SER A 9 -40.505 -7.773 -24.371 1.00 0.00 H new ATOM 0 HB2 SER A 9 -41.448 -9.640 -25.661 1.00 0.00 H new ATOM 0 HB3 SER A 9 -39.907 -10.475 -25.651 1.00 0.00 H new ATOM 0 HG SER A 9 -41.341 -11.257 -24.004 1.00 0.00 H new ATOM 87 N PRO A 10 -38.657 -8.071 -22.760 1.00 0.00 N ATOM 88 CA PRO A 10 -37.571 -8.172 -21.780 1.00 0.00 C ATOM 89 C PRO A 10 -37.461 -9.568 -21.179 1.00 0.00 C ATOM 90 O PRO A 10 -38.414 -10.347 -21.214 1.00 0.00 O ATOM 91 CB PRO A 10 -37.967 -7.156 -20.706 1.00 0.00 C ATOM 92 CG PRO A 10 -39.449 -7.047 -20.816 1.00 0.00 C ATOM 93 CD PRO A 10 -39.771 -7.241 -22.272 1.00 0.00 C ATOM 0 HA PRO A 10 -36.597 -7.979 -22.229 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -37.667 -7.492 -19.713 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -37.485 -6.193 -20.875 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -39.942 -7.801 -20.203 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -39.796 -6.075 -20.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -40.732 -7.737 -22.408 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -39.826 -6.290 -22.802 1.00 0.00 H new ATOM 101 N VAL A 11 -36.293 -9.880 -20.626 1.00 0.00 N ATOM 102 CA VAL A 11 -36.059 -11.183 -20.015 1.00 0.00 C ATOM 103 C VAL A 11 -35.056 -11.081 -18.871 1.00 0.00 C ATOM 104 O VAL A 11 -34.030 -10.413 -18.991 1.00 0.00 O ATOM 105 CB VAL A 11 -35.543 -12.202 -21.047 1.00 0.00 C ATOM 106 CG1 VAL A 11 -36.653 -12.598 -22.008 1.00 0.00 C ATOM 107 CG2 VAL A 11 -34.349 -11.637 -21.802 1.00 0.00 C ATOM 0 H VAL A 11 -35.494 -9.248 -20.589 1.00 0.00 H new ATOM 0 HA VAL A 11 -37.017 -11.527 -19.625 1.00 0.00 H new ATOM 0 HB VAL A 11 -35.218 -13.097 -20.517 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -36.269 -13.319 -22.730 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -37.475 -13.046 -21.450 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -37.012 -11.713 -22.534 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -33.997 -12.370 -22.527 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -34.645 -10.726 -22.322 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -33.548 -11.409 -21.098 1.00 0.00 H new ATOM 117 N GLU A 12 -35.361 -11.749 -17.763 1.00 0.00 N ATOM 118 CA GLU A 12 -34.485 -11.734 -16.597 1.00 0.00 C ATOM 119 C GLU A 12 -33.193 -12.495 -16.877 1.00 0.00 C ATOM 120 O GLU A 12 -33.210 -13.567 -17.481 1.00 0.00 O ATOM 121 CB GLU A 12 -35.198 -12.344 -15.388 1.00 0.00 C ATOM 122 CG GLU A 12 -35.448 -13.837 -15.519 1.00 0.00 C ATOM 123 CD GLU A 12 -36.031 -14.443 -14.257 1.00 0.00 C ATOM 124 OE1 GLU A 12 -35.294 -14.549 -13.254 1.00 0.00 O ATOM 125 OE2 GLU A 12 -37.224 -14.812 -14.272 1.00 0.00 O ATOM 0 H GLU A 12 -36.207 -12.307 -17.648 1.00 0.00 H new ATOM 0 HA GLU A 12 -34.234 -10.696 -16.376 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -34.601 -12.161 -14.494 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.151 -11.836 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.128 -14.016 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -34.511 -14.339 -15.759 1.00 0.00 H new ATOM 199 N TYR A 17 -21.893 -7.409 -11.405 1.00 0.00 N ATOM 200 CA TYR A 17 -20.654 -6.734 -11.774 1.00 0.00 C ATOM 201 C TYR A 17 -19.672 -6.722 -10.606 1.00 0.00 C ATOM 202 O TYR A 17 -19.767 -5.884 -9.710 1.00 0.00 O ATOM 203 CB TYR A 17 -20.945 -5.302 -12.225 1.00 0.00 C ATOM 204 CG TYR A 17 -21.999 -5.209 -13.305 1.00 0.00 C ATOM 205 CD1 TYR A 17 -22.138 -6.212 -14.256 1.00 0.00 C ATOM 206 CD2 TYR A 17 -22.857 -4.118 -13.374 1.00 0.00 C ATOM 207 CE1 TYR A 17 -23.099 -6.132 -15.245 1.00 0.00 C ATOM 208 CE2 TYR A 17 -23.823 -4.030 -14.358 1.00 0.00 C ATOM 209 CZ TYR A 17 -23.939 -5.039 -15.292 1.00 0.00 C ATOM 210 OH TYR A 17 -24.899 -4.955 -16.274 1.00 0.00 O ATOM 0 HA TYR A 17 -20.202 -7.283 -12.600 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.267 -4.717 -11.363 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.022 -4.850 -12.590 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.483 -7.070 -14.221 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -22.767 -3.325 -12.646 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -23.192 -6.921 -15.977 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -24.483 -3.176 -14.396 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.407 -4.124 -16.165 1.00 0.00 H new ATOM 220 N GLN A 18 -18.728 -7.657 -10.626 1.00 0.00 N ATOM 221 CA GLN A 18 -17.728 -7.755 -9.570 1.00 0.00 C ATOM 222 C GLN A 18 -16.459 -7.000 -9.951 1.00 0.00 C ATOM 223 O GLN A 18 -16.117 -6.894 -11.129 1.00 0.00 O ATOM 224 CB GLN A 18 -17.398 -9.221 -9.285 1.00 0.00 C ATOM 225 CG GLN A 18 -18.226 -9.824 -8.162 1.00 0.00 C ATOM 226 CD GLN A 18 -18.460 -11.311 -8.343 1.00 0.00 C ATOM 227 OE1 GLN A 18 -19.525 -11.733 -8.792 1.00 0.00 O ATOM 228 NE2 GLN A 18 -17.462 -12.114 -7.993 1.00 0.00 N ATOM 0 H GLN A 18 -18.635 -8.357 -11.362 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.142 -7.302 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.554 -9.803 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.341 -9.304 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.721 -9.653 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.187 -9.313 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.596 -11.721 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.561 -13.124 -8.092 1.00 0.00 H new ATOM 237 N CYS A 19 -15.763 -6.477 -8.947 1.00 0.00 N ATOM 238 CA CYS A 19 -14.531 -5.732 -9.176 1.00 0.00 C ATOM 239 C CYS A 19 -13.385 -6.672 -9.537 1.00 0.00 C ATOM 240 O CYS A 19 -13.198 -7.711 -8.904 1.00 0.00 O ATOM 241 CB CYS A 19 -14.165 -4.917 -7.933 1.00 0.00 C ATOM 242 SG CYS A 19 -12.600 -3.997 -8.082 1.00 0.00 S ATOM 0 H CYS A 19 -16.032 -6.556 -7.966 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.697 -5.053 -10.012 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.970 -4.212 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.099 -5.589 -7.077 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.800 -2.907 -8.761 1.00 0.00 H new ATOM 247 N ARG A 20 -12.621 -6.299 -10.559 1.00 0.00 N ATOM 248 CA ARG A 20 -11.494 -7.109 -11.005 1.00 0.00 C ATOM 249 C ARG A 20 -10.261 -6.845 -10.146 1.00 0.00 C ATOM 250 O ARG A 20 -9.130 -7.080 -10.575 1.00 0.00 O ATOM 251 CB ARG A 20 -11.179 -6.817 -12.473 1.00 0.00 C ATOM 252 CG ARG A 20 -12.209 -7.377 -13.441 1.00 0.00 C ATOM 253 CD ARG A 20 -12.157 -8.895 -13.493 1.00 0.00 C ATOM 254 NE ARG A 20 -11.308 -9.377 -14.579 1.00 0.00 N ATOM 255 CZ ARG A 20 -10.642 -10.526 -14.537 1.00 0.00 C ATOM 256 NH1 ARG A 20 -10.727 -11.306 -13.469 1.00 0.00 N ATOM 257 NH2 ARG A 20 -9.890 -10.896 -15.566 1.00 0.00 N ATOM 0 H ARG A 20 -12.762 -5.442 -11.093 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.769 -8.159 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.110 -5.738 -12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.201 -7.233 -12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.206 -7.056 -13.139 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.032 -6.971 -14.437 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.783 -9.278 -12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.166 -9.288 -13.620 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.222 -8.800 -15.416 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.305 -11.025 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.215 -12.188 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.823 -10.298 -16.390 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.379 -11.778 -15.533 1.00 0.00 H new ATOM 271 N LEU A 21 -10.486 -6.355 -8.932 1.00 0.00 N ATOM 272 CA LEU A 21 -9.393 -6.058 -8.013 1.00 0.00 C ATOM 273 C LEU A 21 -9.595 -6.770 -6.679 1.00 0.00 C ATOM 274 O LEU A 21 -8.666 -7.367 -6.134 1.00 0.00 O ATOM 275 CB LEU A 21 -9.286 -4.549 -7.787 1.00 0.00 C ATOM 276 CG LEU A 21 -9.368 -3.675 -9.040 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.464 -2.206 -8.661 1.00 0.00 C ATOM 278 CD2 LEU A 21 -8.165 -3.919 -9.939 1.00 0.00 C ATOM 0 H LEU A 21 -11.415 -6.155 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.467 -6.419 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.081 -4.247 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.340 -4.343 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.269 -3.946 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.521 -1.600 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.357 -2.043 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.582 -1.920 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.240 -3.289 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.251 -3.676 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.142 -4.967 -10.239 1.00 0.00 H new ATOM 290 N CYS A 22 -10.816 -6.704 -6.158 1.00 0.00 N ATOM 291 CA CYS A 22 -11.142 -7.343 -4.889 1.00 0.00 C ATOM 292 C CYS A 22 -12.287 -8.338 -5.059 1.00 0.00 C ATOM 293 O CYS A 22 -12.599 -9.102 -4.148 1.00 0.00 O ATOM 294 CB CYS A 22 -11.519 -6.289 -3.845 1.00 0.00 C ATOM 295 SG CYS A 22 -12.831 -5.146 -4.383 1.00 0.00 S ATOM 0 H CYS A 22 -11.596 -6.214 -6.596 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.260 -7.885 -4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.843 -6.794 -2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.630 -5.711 -3.590 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.636 -4.816 -5.625 1.00 0.00 H new ATOM 300 N ASN A 23 -12.909 -8.320 -6.234 1.00 0.00 N ATOM 301 CA ASN A 23 -14.019 -9.220 -6.524 1.00 0.00 C ATOM 302 C ASN A 23 -15.244 -8.861 -5.688 1.00 0.00 C ATOM 303 O ASN A 23 -15.892 -9.733 -5.111 1.00 0.00 O ATOM 304 CB ASN A 23 -13.612 -10.670 -6.255 1.00 0.00 C ATOM 305 CG ASN A 23 -12.281 -11.024 -6.891 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.237 -10.971 -6.242 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.314 -11.388 -8.167 1.00 0.00 N ATOM 0 H ASN A 23 -12.663 -7.693 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.275 -9.111 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.553 -10.834 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.384 -11.338 -6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.450 -11.638 -8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.203 -11.418 -8.666 1.00 0.00 H new ATOM 314 N ALA A 24 -15.555 -7.570 -5.628 1.00 0.00 N ATOM 315 CA ALA A 24 -16.702 -7.095 -4.866 1.00 0.00 C ATOM 316 C ALA A 24 -17.889 -6.809 -5.780 1.00 0.00 C ATOM 317 O ALA A 24 -17.748 -6.150 -6.810 1.00 0.00 O ATOM 318 CB ALA A 24 -16.331 -5.849 -4.074 1.00 0.00 C ATOM 0 H ALA A 24 -15.028 -6.835 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.994 -7.881 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.198 -5.505 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.519 -6.084 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.010 -5.065 -4.759 1.00 0.00 H new ATOM 324 N LYS A 25 -19.059 -7.310 -5.398 1.00 0.00 N ATOM 325 CA LYS A 25 -20.271 -7.108 -6.182 1.00 0.00 C ATOM 326 C LYS A 25 -20.690 -5.641 -6.170 1.00 0.00 C ATOM 327 O LYS A 25 -20.852 -5.041 -5.107 1.00 0.00 O ATOM 328 CB LYS A 25 -21.406 -7.978 -5.638 1.00 0.00 C ATOM 329 CG LYS A 25 -21.180 -9.467 -5.836 1.00 0.00 C ATOM 330 CD LYS A 25 -22.256 -10.291 -5.148 1.00 0.00 C ATOM 331 CE LYS A 25 -22.470 -11.624 -5.849 1.00 0.00 C ATOM 332 NZ LYS A 25 -23.491 -12.457 -5.155 1.00 0.00 N ATOM 0 H LYS A 25 -19.193 -7.859 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.060 -7.398 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.529 -7.776 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.338 -7.692 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.171 -9.696 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.202 -9.743 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.974 -10.466 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.191 -9.731 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.784 -11.447 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.526 -12.167 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.608 -13.357 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.180 -12.647 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.399 -11.949 -5.136 1.00 0.00 H new ATOM 346 N LEU A 26 -20.865 -5.071 -7.356 1.00 0.00 N ATOM 347 CA LEU A 26 -21.267 -3.674 -7.482 1.00 0.00 C ATOM 348 C LEU A 26 -22.785 -3.549 -7.557 1.00 0.00 C ATOM 349 O LEU A 26 -23.501 -4.550 -7.568 1.00 0.00 O ATOM 350 CB LEU A 26 -20.630 -3.049 -8.725 1.00 0.00 C ATOM 351 CG LEU A 26 -19.220 -2.485 -8.545 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.151 -1.606 -7.307 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.202 -3.612 -8.459 1.00 0.00 C ATOM 0 H LEU A 26 -20.735 -5.554 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.920 -3.141 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.600 -3.803 -9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.279 -2.247 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.981 -1.872 -9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.140 -1.214 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.852 -0.778 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.411 -2.195 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.204 -3.192 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.438 -4.252 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.233 -4.201 -9.376 1.00 0.00 H new ATOM 365 N SER A 27 -23.270 -2.312 -7.609 1.00 0.00 N ATOM 366 CA SER A 27 -24.703 -2.056 -7.681 1.00 0.00 C ATOM 367 C SER A 27 -25.121 -1.703 -9.106 1.00 0.00 C ATOM 368 O SER A 27 -26.309 -1.666 -9.425 1.00 0.00 O ATOM 369 CB SER A 27 -25.089 -0.922 -6.729 1.00 0.00 C ATOM 370 OG SER A 27 -26.496 -0.801 -6.624 1.00 0.00 O ATOM 0 H SER A 27 -22.691 -1.472 -7.603 1.00 0.00 H new ATOM 0 HA SER A 27 -25.225 -2.965 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.662 -1.109 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.666 0.017 -7.086 1.00 0.00 H new ATOM 0 HG SER A 27 -26.908 -1.019 -7.486 1.00 0.00 H new ATOM 376 N SER A 28 -24.135 -1.446 -9.958 1.00 0.00 N ATOM 377 CA SER A 28 -24.398 -1.092 -11.348 1.00 0.00 C ATOM 378 C SER A 28 -23.101 -1.031 -12.149 1.00 0.00 C ATOM 379 O SER A 28 -22.019 -0.852 -11.587 1.00 0.00 O ATOM 380 CB SER A 28 -25.124 0.252 -11.426 1.00 0.00 C ATOM 381 OG SER A 28 -26.497 0.110 -11.108 1.00 0.00 O ATOM 0 H SER A 28 -23.146 -1.476 -9.711 1.00 0.00 H new ATOM 0 HA SER A 28 -25.034 -1.865 -11.779 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.660 0.960 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 28 -25.021 0.667 -12.429 1.00 0.00 H new ATOM 0 HG SER A 28 -26.647 -0.764 -10.690 1.00 0.00 H new ATOM 387 N LEU A 29 -23.217 -1.179 -13.464 1.00 0.00 N ATOM 388 CA LEU A 29 -22.054 -1.141 -14.343 1.00 0.00 C ATOM 389 C LEU A 29 -21.172 0.063 -14.028 1.00 0.00 C ATOM 390 O LEU A 29 -19.944 -0.025 -14.071 1.00 0.00 O ATOM 391 CB LEU A 29 -22.498 -1.092 -15.806 1.00 0.00 C ATOM 392 CG LEU A 29 -21.498 -1.631 -16.830 1.00 0.00 C ATOM 393 CD1 LEU A 29 -21.464 -3.151 -16.794 1.00 0.00 C ATOM 394 CD2 LEU A 29 -21.845 -1.137 -18.226 1.00 0.00 C ATOM 0 H LEU A 29 -24.104 -1.326 -13.945 1.00 0.00 H new ATOM 0 HA LEU A 29 -21.473 -2.048 -14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -23.426 -1.656 -15.902 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -22.726 -0.057 -16.061 1.00 0.00 H new ATOM 0 HG LEU A 29 -20.507 -1.259 -16.571 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -20.747 -3.516 -17.529 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -21.166 -3.485 -15.800 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -22.454 -3.543 -17.027 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -21.123 -1.531 -18.941 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -22.845 -1.478 -18.495 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.817 -0.048 -18.244 1.00 0.00 H new ATOM 406 N LEU A 30 -21.806 1.186 -13.708 1.00 0.00 N ATOM 407 CA LEU A 30 -21.079 2.409 -13.383 1.00 0.00 C ATOM 408 C LEU A 30 -20.202 2.209 -12.150 1.00 0.00 C ATOM 409 O LEU A 30 -18.983 2.361 -12.214 1.00 0.00 O ATOM 410 CB LEU A 30 -22.058 3.560 -13.145 1.00 0.00 C ATOM 411 CG LEU A 30 -21.552 4.957 -13.506 1.00 0.00 C ATOM 412 CD1 LEU A 30 -21.632 5.181 -15.008 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.347 6.020 -12.763 1.00 0.00 C ATOM 0 H LEU A 30 -22.821 1.275 -13.667 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.436 2.656 -14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.964 3.364 -13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.340 3.558 -12.092 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.508 5.035 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.268 6.180 -15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.019 4.439 -15.520 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.667 5.084 -15.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.973 7.008 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.400 5.944 -13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.238 5.871 -11.689 1.00 0.00 H new ATOM 425 N GLU A 31 -20.832 1.865 -11.032 1.00 0.00 N ATOM 426 CA GLU A 31 -20.108 1.643 -9.785 1.00 0.00 C ATOM 427 C GLU A 31 -18.860 0.797 -10.024 1.00 0.00 C ATOM 428 O GLU A 31 -17.898 0.865 -9.261 1.00 0.00 O ATOM 429 CB GLU A 31 -21.013 0.958 -8.759 1.00 0.00 C ATOM 430 CG GLU A 31 -20.766 1.412 -7.330 1.00 0.00 C ATOM 431 CD GLU A 31 -20.556 2.909 -7.222 1.00 0.00 C ATOM 432 OE1 GLU A 31 -21.511 3.664 -7.503 1.00 0.00 O ATOM 433 OE2 GLU A 31 -19.437 3.327 -6.856 1.00 0.00 O ATOM 0 H GLU A 31 -21.841 1.734 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.799 2.613 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.054 1.152 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.865 -0.120 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.614 1.122 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.890 0.897 -6.935 1.00 0.00 H new ATOM 440 N GLN A 32 -18.886 0.002 -11.089 1.00 0.00 N ATOM 441 CA GLN A 32 -17.758 -0.857 -11.428 1.00 0.00 C ATOM 442 C GLN A 32 -16.616 -0.044 -12.029 1.00 0.00 C ATOM 443 O GLN A 32 -15.447 -0.285 -11.731 1.00 0.00 O ATOM 444 CB GLN A 32 -18.196 -1.946 -12.409 1.00 0.00 C ATOM 445 CG GLN A 32 -17.241 -3.126 -12.474 1.00 0.00 C ATOM 446 CD GLN A 32 -17.649 -4.152 -13.513 1.00 0.00 C ATOM 447 OE1 GLN A 32 -18.551 -3.912 -14.317 1.00 0.00 O ATOM 448 NE2 GLN A 32 -16.986 -5.302 -13.503 1.00 0.00 N ATOM 0 H GLN A 32 -19.675 -0.065 -11.731 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.402 -1.326 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.185 -2.305 -12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.291 -1.511 -13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.238 -2.764 -12.701 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.194 -3.604 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.246 -5.458 -12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.217 -6.030 -14.180 1.00 0.00 H new ATOM 457 N GLY A 33 -16.964 0.919 -12.876 1.00 0.00 N ATOM 458 CA GLY A 33 -15.956 1.752 -13.506 1.00 0.00 C ATOM 459 C GLY A 33 -15.393 2.796 -12.561 1.00 0.00 C ATOM 460 O GLY A 33 -14.286 3.294 -12.764 1.00 0.00 O ATOM 0 H GLY A 33 -17.925 1.138 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.145 1.122 -13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.390 2.248 -14.374 1.00 0.00 H new ATOM 464 N SER A 34 -16.157 3.128 -11.526 1.00 0.00 N ATOM 465 CA SER A 34 -15.731 4.123 -10.549 1.00 0.00 C ATOM 466 C SER A 34 -14.995 3.463 -9.387 1.00 0.00 C ATOM 467 O SER A 34 -13.900 3.883 -9.012 1.00 0.00 O ATOM 468 CB SER A 34 -16.937 4.904 -10.025 1.00 0.00 C ATOM 469 OG SER A 34 -16.567 6.217 -9.640 1.00 0.00 O ATOM 0 H SER A 34 -17.075 2.722 -11.342 1.00 0.00 H new ATOM 0 HA SER A 34 -15.048 4.813 -11.045 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.706 4.951 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.371 4.381 -9.173 1.00 0.00 H new ATOM 0 HG SER A 34 -17.356 6.696 -9.310 1.00 0.00 H new ATOM 475 N HIS A 35 -15.605 2.426 -8.821 1.00 0.00 N ATOM 476 CA HIS A 35 -15.008 1.706 -7.701 1.00 0.00 C ATOM 477 C HIS A 35 -13.594 1.245 -8.044 1.00 0.00 C ATOM 478 O HIS A 35 -12.776 1.012 -7.155 1.00 0.00 O ATOM 479 CB HIS A 35 -15.872 0.503 -7.323 1.00 0.00 C ATOM 480 CG HIS A 35 -15.198 -0.445 -6.379 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.425 -0.441 -5.019 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.301 -1.432 -6.606 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.695 -1.383 -4.450 1.00 0.00 C ATOM 484 NE2 HIS A 35 -14.004 -2.000 -5.392 1.00 0.00 N ATOM 0 H HIS A 35 -16.511 2.066 -9.119 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.953 2.386 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.797 0.859 -6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.148 -0.035 -8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.894 -1.720 -7.564 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.668 -1.610 -3.395 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.355 -2.773 -5.242 1.00 0.00 H new ATOM 492 N GLU A 36 -13.316 1.114 -9.337 1.00 0.00 N ATOM 493 CA GLU A 36 -12.002 0.679 -9.795 1.00 0.00 C ATOM 494 C GLU A 36 -10.980 1.805 -9.665 1.00 0.00 C ATOM 495 O GLU A 36 -9.777 1.559 -9.578 1.00 0.00 O ATOM 496 CB GLU A 36 -12.075 0.207 -11.249 1.00 0.00 C ATOM 497 CG GLU A 36 -12.459 -1.256 -11.395 1.00 0.00 C ATOM 498 CD GLU A 36 -11.857 -1.896 -12.630 1.00 0.00 C ATOM 499 OE1 GLU A 36 -11.517 -1.157 -13.577 1.00 0.00 O ATOM 500 OE2 GLU A 36 -11.725 -3.138 -12.650 1.00 0.00 O ATOM 0 H GLU A 36 -13.983 1.303 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.683 -0.152 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.800 0.820 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.107 0.369 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.133 -1.803 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.545 -1.340 -11.439 1.00 0.00 H new ATOM 507 N ARG A 37 -11.469 3.041 -9.653 1.00 0.00 N ATOM 508 CA ARG A 37 -10.599 4.205 -9.536 1.00 0.00 C ATOM 509 C ARG A 37 -10.073 4.349 -8.111 1.00 0.00 C ATOM 510 O ARG A 37 -8.886 4.603 -7.898 1.00 0.00 O ATOM 511 CB ARG A 37 -11.351 5.473 -9.944 1.00 0.00 C ATOM 512 CG ARG A 37 -11.328 5.740 -11.440 1.00 0.00 C ATOM 513 CD ARG A 37 -12.439 6.692 -11.854 1.00 0.00 C ATOM 514 NE ARG A 37 -12.257 7.187 -13.216 1.00 0.00 N ATOM 515 CZ ARG A 37 -11.464 8.207 -13.527 1.00 0.00 C ATOM 516 NH1 ARG A 37 -10.783 8.835 -12.579 1.00 0.00 N ATOM 517 NH2 ARG A 37 -11.351 8.599 -14.790 1.00 0.00 N ATOM 0 H ARG A 37 -12.462 3.262 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.751 4.062 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.387 5.393 -9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.916 6.327 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.363 6.162 -11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.434 4.799 -11.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.400 6.182 -11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.470 7.535 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.766 6.725 -13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.867 8.536 -11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.175 9.618 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.873 8.117 -15.522 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.742 9.382 -15.028 1.00 0.00 H new ATOM 531 N LEU A 38 -10.963 4.186 -7.138 1.00 0.00 N ATOM 532 CA LEU A 38 -10.589 4.299 -5.733 1.00 0.00 C ATOM 533 C LEU A 38 -9.963 3.001 -5.230 1.00 0.00 C ATOM 534 O LEU A 38 -9.150 3.009 -4.306 1.00 0.00 O ATOM 535 CB LEU A 38 -11.813 4.649 -4.885 1.00 0.00 C ATOM 536 CG LEU A 38 -13.156 4.126 -5.397 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.079 3.796 -4.234 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.806 5.143 -6.324 1.00 0.00 C ATOM 0 H LEU A 38 -11.948 3.975 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.851 5.096 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.655 4.262 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.875 5.734 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.976 3.211 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.030 3.425 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.617 3.032 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.252 4.694 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.760 4.754 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.972 6.074 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.151 5.330 -7.175 1.00 0.00 H new ATOM 550 N CYS A 39 -10.347 1.888 -5.846 1.00 0.00 N ATOM 551 CA CYS A 39 -9.823 0.583 -5.464 1.00 0.00 C ATOM 552 C CYS A 39 -8.461 0.333 -6.106 1.00 0.00 C ATOM 553 O CYS A 39 -7.946 -0.785 -6.079 1.00 0.00 O ATOM 554 CB CYS A 39 -10.801 -0.522 -5.870 1.00 0.00 C ATOM 555 SG CYS A 39 -10.294 -2.192 -5.350 1.00 0.00 S ATOM 0 H CYS A 39 -11.020 1.864 -6.612 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.702 0.572 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.779 -0.301 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.916 -0.510 -6.954 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.001 -2.297 -5.429 1.00 0.00 H new ATOM 560 N ARG A 40 -7.885 1.382 -6.683 1.00 0.00 N ATOM 561 CA ARG A 40 -6.584 1.277 -7.333 1.00 0.00 C ATOM 562 C ARG A 40 -5.581 2.238 -6.701 1.00 0.00 C ATOM 563 O ARG A 40 -4.377 1.985 -6.704 1.00 0.00 O ATOM 564 CB ARG A 40 -6.713 1.570 -8.829 1.00 0.00 C ATOM 565 CG ARG A 40 -7.037 0.342 -9.664 1.00 0.00 C ATOM 566 CD ARG A 40 -6.895 0.626 -11.152 1.00 0.00 C ATOM 567 NE ARG A 40 -8.104 1.223 -11.713 1.00 0.00 N ATOM 568 CZ ARG A 40 -8.416 1.175 -13.003 1.00 0.00 C ATOM 569 NH1 ARG A 40 -7.613 0.562 -13.861 1.00 0.00 N ATOM 570 NH2 ARG A 40 -9.535 1.742 -13.438 1.00 0.00 N ATOM 0 H ARG A 40 -8.298 2.314 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.220 0.258 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.493 2.317 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.781 2.007 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.373 -0.476 -9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.054 0.014 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.051 1.296 -11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.671 -0.302 -11.678 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.744 1.703 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.752 0.125 -13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.856 0.527 -14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.156 2.215 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.774 1.705 -14.429 1.00 0.00 H new ATOM 584 N ASN A 41 -6.087 3.341 -6.159 1.00 0.00 N ATOM 585 CA ASN A 41 -5.235 4.340 -5.524 1.00 0.00 C ATOM 586 C ASN A 41 -5.417 4.326 -4.009 1.00 0.00 C ATOM 587 O ASN A 41 -4.583 4.846 -3.269 1.00 0.00 O ATOM 588 CB ASN A 41 -5.550 5.733 -6.074 1.00 0.00 C ATOM 589 CG ASN A 41 -6.938 6.206 -5.689 1.00 0.00 C ATOM 590 OD1 ASN A 41 -7.823 6.323 -6.537 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.135 6.482 -4.405 1.00 0.00 N ATOM 0 H ASN A 41 -7.082 3.566 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.198 4.093 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.811 6.443 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.462 5.720 -7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.049 6.805 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.373 6.371 -3.737 1.00 0.00 H new ATOM 598 N ALA A 42 -6.513 3.727 -3.556 1.00 0.00 N ATOM 599 CA ALA A 42 -6.804 3.642 -2.130 1.00 0.00 C ATOM 600 C ALA A 42 -5.522 3.497 -1.316 1.00 0.00 C ATOM 601 O ALA A 42 -5.214 4.337 -0.471 1.00 0.00 O ATOM 602 CB ALA A 42 -7.743 2.479 -1.851 1.00 0.00 C ATOM 0 H ALA A 42 -7.215 3.293 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.292 4.569 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.951 2.428 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.676 2.626 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.276 1.549 -2.174 1.00 0.00 H new ATOM 608 N ALA A 43 -4.780 2.426 -1.577 1.00 0.00 N ATOM 609 CA ALA A 43 -3.531 2.172 -0.869 1.00 0.00 C ATOM 610 C ALA A 43 -2.377 1.976 -1.846 1.00 0.00 C ATOM 611 O ALA A 43 -2.204 0.896 -2.411 1.00 0.00 O ATOM 612 CB ALA A 43 -3.674 0.955 0.033 1.00 0.00 C ATOM 0 H ALA A 43 -5.022 1.721 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.307 3.043 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.734 0.777 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.466 1.133 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.925 0.082 -0.570 1.00 0.00 H new ATOM 618 N VAL A 44 -1.588 3.028 -2.042 1.00 0.00 N ATOM 619 CA VAL A 44 -0.449 2.971 -2.951 1.00 0.00 C ATOM 620 C VAL A 44 0.863 3.172 -2.201 1.00 0.00 C ATOM 621 O VAL A 44 1.222 4.295 -1.845 1.00 0.00 O ATOM 622 CB VAL A 44 -0.562 4.035 -4.059 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.662 3.998 -4.961 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.836 3.830 -4.865 1.00 0.00 C ATOM 0 H VAL A 44 -1.717 3.930 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.456 1.981 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.609 5.019 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.565 4.756 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.556 4.197 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.744 3.014 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.900 4.590 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.821 2.841 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.700 3.912 -4.206 1.00 0.00 H new ATOM 634 N CYS A 45 1.576 2.076 -1.963 1.00 0.00 N ATOM 635 CA CYS A 45 2.849 2.130 -1.255 1.00 0.00 C ATOM 636 C CYS A 45 3.824 3.068 -1.961 1.00 0.00 C ATOM 637 O CYS A 45 4.234 2.836 -3.099 1.00 0.00 O ATOM 638 CB CYS A 45 3.457 0.730 -1.149 1.00 0.00 C ATOM 639 SG CYS A 45 4.859 0.613 0.008 1.00 0.00 S ATOM 0 H CYS A 45 1.293 1.139 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 45 2.663 2.515 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.681 0.032 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.789 0.414 -2.138 1.00 0.00 H new ATOM 0 HG CYS A 45 5.303 -0.609 0.029 1.00 0.00 H new ATOM 644 N PRO A 46 4.206 4.152 -1.271 1.00 0.00 N ATOM 645 CA PRO A 46 5.138 5.147 -1.810 1.00 0.00 C ATOM 646 C PRO A 46 6.558 4.604 -1.932 1.00 0.00 C ATOM 647 O PRO A 46 7.485 5.337 -2.279 1.00 0.00 O ATOM 648 CB PRO A 46 5.084 6.279 -0.781 1.00 0.00 C ATOM 649 CG PRO A 46 4.672 5.617 0.488 1.00 0.00 C ATOM 650 CD PRO A 46 3.757 4.492 0.090 1.00 0.00 C ATOM 0 HA PRO A 46 4.865 5.457 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.054 6.766 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.371 7.049 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.539 5.241 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.163 6.320 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.847 3.642 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.712 4.801 0.103 1.00 0.00 H new ATOM 658 N TYR A 47 6.721 3.318 -1.647 1.00 0.00 N ATOM 659 CA TYR A 47 8.029 2.678 -1.723 1.00 0.00 C ATOM 660 C TYR A 47 8.153 1.841 -2.992 1.00 0.00 C ATOM 661 O TYR A 47 9.063 2.043 -3.797 1.00 0.00 O ATOM 662 CB TYR A 47 8.261 1.797 -0.494 1.00 0.00 C ATOM 663 CG TYR A 47 8.197 2.554 0.814 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.754 3.821 0.934 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.579 2.001 1.929 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.698 4.516 2.127 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.517 2.689 3.126 1.00 0.00 C ATOM 668 CZ TYR A 47 8.078 3.946 3.220 1.00 0.00 C ATOM 669 OH TYR A 47 8.020 4.634 4.410 1.00 0.00 O ATOM 0 H TYR A 47 5.964 2.697 -1.361 1.00 0.00 H new ATOM 0 HA TYR A 47 8.787 3.461 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.515 1.002 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.236 1.318 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.239 4.271 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.140 1.017 1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.137 5.500 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.032 2.245 3.983 1.00 0.00 H new ATOM 0 HH TYR A 47 7.549 4.093 5.078 1.00 0.00 H new ATOM 679 N CYS A 48 7.231 0.900 -3.165 1.00 0.00 N ATOM 680 CA CYS A 48 7.235 0.031 -4.336 1.00 0.00 C ATOM 681 C CYS A 48 6.126 0.423 -5.308 1.00 0.00 C ATOM 682 O CYS A 48 6.095 -0.036 -6.449 1.00 0.00 O ATOM 683 CB CYS A 48 7.064 -1.430 -3.913 1.00 0.00 C ATOM 684 SG CYS A 48 5.578 -1.744 -2.907 1.00 0.00 S ATOM 0 H CYS A 48 6.471 0.720 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 48 8.194 0.147 -4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.023 -2.053 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.944 -1.739 -3.349 1.00 0.00 H new ATOM 0 HG CYS A 48 5.517 -0.877 -1.941 1.00 0.00 H new ATOM 689 N SER A 49 5.217 1.276 -4.847 1.00 0.00 N ATOM 690 CA SER A 49 4.104 1.728 -5.673 1.00 0.00 C ATOM 691 C SER A 49 3.083 0.611 -5.869 1.00 0.00 C ATOM 692 O SER A 49 2.636 0.351 -6.987 1.00 0.00 O ATOM 693 CB SER A 49 4.614 2.212 -7.032 1.00 0.00 C ATOM 694 OG SER A 49 3.655 3.035 -7.673 1.00 0.00 O ATOM 0 H SER A 49 5.230 1.668 -3.905 1.00 0.00 H new ATOM 0 HA SER A 49 3.616 2.556 -5.159 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.543 2.767 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.843 1.354 -7.665 1.00 0.00 H new ATOM 0 HG SER A 49 2.814 2.542 -7.770 1.00 0.00 H new ATOM 700 N LEU A 50 2.720 -0.048 -4.775 1.00 0.00 N ATOM 701 CA LEU A 50 1.752 -1.139 -4.824 1.00 0.00 C ATOM 702 C LEU A 50 0.330 -0.600 -4.934 1.00 0.00 C ATOM 703 O LEU A 50 0.121 0.606 -5.065 1.00 0.00 O ATOM 704 CB LEU A 50 1.882 -2.019 -3.579 1.00 0.00 C ATOM 705 CG LEU A 50 2.798 -3.236 -3.710 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.329 -3.653 -2.348 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.059 -4.390 -4.373 1.00 0.00 C ATOM 0 H LEU A 50 3.081 0.154 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 50 1.963 -1.740 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.247 -1.401 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.888 -2.366 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 50 3.645 -2.964 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.979 -4.521 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.895 -2.830 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.495 -3.907 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.726 -5.248 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.193 -4.662 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.728 -4.087 -5.367 1.00 0.00 H new ATOM 719 N ARG A 51 -0.645 -1.501 -4.877 1.00 0.00 N ATOM 720 CA ARG A 51 -2.048 -1.116 -4.969 1.00 0.00 C ATOM 721 C ARG A 51 -2.942 -2.151 -4.290 1.00 0.00 C ATOM 722 O ARG A 51 -3.155 -3.243 -4.816 1.00 0.00 O ATOM 723 CB ARG A 51 -2.460 -0.954 -6.433 1.00 0.00 C ATOM 724 CG ARG A 51 -1.896 0.296 -7.089 1.00 0.00 C ATOM 725 CD ARG A 51 -2.493 0.518 -8.470 1.00 0.00 C ATOM 726 NE ARG A 51 -2.426 1.919 -8.876 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.327 2.496 -9.348 1.00 0.00 C ATOM 728 NH1 ARG A 51 -0.208 1.795 -9.473 1.00 0.00 N ATOM 729 NH2 ARG A 51 -1.344 3.776 -9.697 1.00 0.00 N ATOM 0 H ARG A 51 -0.489 -2.503 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.171 -0.162 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.130 -1.829 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.548 -0.927 -6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.100 1.162 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.812 0.209 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.962 -0.096 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.532 0.189 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.270 2.486 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.190 0.811 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.635 2.240 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.202 4.319 -9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.499 4.217 -10.059 1.00 0.00 H new ATOM 743 N PHE A 52 -3.461 -1.799 -3.118 1.00 0.00 N ATOM 744 CA PHE A 52 -4.330 -2.697 -2.366 1.00 0.00 C ATOM 745 C PHE A 52 -5.777 -2.216 -2.410 1.00 0.00 C ATOM 746 O PHE A 52 -6.083 -1.185 -3.010 1.00 0.00 O ATOM 747 CB PHE A 52 -3.858 -2.800 -0.914 1.00 0.00 C ATOM 748 CG PHE A 52 -2.453 -3.313 -0.775 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.372 -2.501 -1.077 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.214 -4.607 -0.343 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.078 -2.971 -0.950 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.922 -5.083 -0.214 1.00 0.00 C ATOM 753 CZ PHE A 52 0.147 -4.263 -0.517 1.00 0.00 C ATOM 0 H PHE A 52 -3.295 -0.899 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.279 -3.683 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.925 -1.817 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.533 -3.459 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.542 -1.490 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.047 -5.252 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.756 -2.328 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.749 -6.094 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.157 -4.631 -0.416 1.00 0.00 H new ATOM 763 N PHE A 53 -6.664 -2.970 -1.770 1.00 0.00 N ATOM 764 CA PHE A 53 -8.080 -2.623 -1.736 1.00 0.00 C ATOM 765 C PHE A 53 -8.352 -1.547 -0.688 1.00 0.00 C ATOM 766 O PHE A 53 -9.102 -0.602 -0.933 1.00 0.00 O ATOM 767 CB PHE A 53 -8.925 -3.864 -1.440 1.00 0.00 C ATOM 768 CG PHE A 53 -10.236 -3.552 -0.778 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.006 -2.483 -1.206 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.699 -4.329 0.272 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.214 -2.194 -0.599 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.906 -4.045 0.882 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.664 -2.975 0.447 1.00 0.00 C ATOM 0 H PHE A 53 -6.427 -3.826 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.355 -2.230 -2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.115 -4.395 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.355 -4.538 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.659 -1.868 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.110 -5.166 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.805 -1.358 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.257 -4.659 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.606 -2.750 0.924 1.00 0.00 H new ATOM 783 N SER A 54 -7.736 -1.699 0.480 1.00 0.00 N ATOM 784 CA SER A 54 -7.914 -0.744 1.567 1.00 0.00 C ATOM 785 C SER A 54 -6.590 -0.076 1.925 1.00 0.00 C ATOM 786 O SER A 54 -5.515 -0.663 1.799 1.00 0.00 O ATOM 787 CB SER A 54 -8.495 -1.442 2.798 1.00 0.00 C ATOM 788 OG SER A 54 -9.469 -0.632 3.432 1.00 0.00 O ATOM 0 H SER A 54 -7.110 -2.474 0.698 1.00 0.00 H new ATOM 0 HA SER A 54 -8.610 0.025 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.943 -2.391 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.695 -1.671 3.501 1.00 0.00 H new ATOM 0 HG SER A 54 -9.826 -1.102 4.215 1.00 0.00 H new ATOM 794 N PRO A 55 -6.668 1.183 2.383 1.00 0.00 N ATOM 795 CA PRO A 55 -5.486 1.959 2.770 1.00 0.00 C ATOM 796 C PRO A 55 -4.837 1.431 4.045 1.00 0.00 C ATOM 797 O PRO A 55 -3.745 1.857 4.418 1.00 0.00 O ATOM 798 CB PRO A 55 -6.044 3.366 2.997 1.00 0.00 C ATOM 799 CG PRO A 55 -7.479 3.153 3.339 1.00 0.00 C ATOM 800 CD PRO A 55 -7.916 1.944 2.559 1.00 0.00 C ATOM 0 HA PRO A 55 -4.703 1.913 2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.516 3.876 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.937 3.983 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.605 2.993 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.077 4.025 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.666 1.367 3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.356 2.221 1.601 1.00 0.00 H new ATOM 808 N GLU A 56 -5.517 0.501 4.708 1.00 0.00 N ATOM 809 CA GLU A 56 -5.006 -0.084 5.942 1.00 0.00 C ATOM 810 C GLU A 56 -4.205 -1.350 5.653 1.00 0.00 C ATOM 811 O GLU A 56 -3.479 -1.849 6.513 1.00 0.00 O ATOM 812 CB GLU A 56 -6.158 -0.403 6.897 1.00 0.00 C ATOM 813 CG GLU A 56 -6.555 0.765 7.784 1.00 0.00 C ATOM 814 CD GLU A 56 -7.738 0.444 8.677 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.555 -0.302 9.661 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.848 0.940 8.390 1.00 0.00 O ATOM 0 H GLU A 56 -6.422 0.137 4.412 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.345 0.644 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.025 -0.717 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.874 -1.246 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.705 1.052 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.799 1.624 7.159 1.00 0.00 H new ATOM 823 N LEU A 57 -4.343 -1.865 4.436 1.00 0.00 N ATOM 824 CA LEU A 57 -3.632 -3.073 4.032 1.00 0.00 C ATOM 825 C LEU A 57 -2.173 -2.766 3.713 1.00 0.00 C ATOM 826 O LEU A 57 -1.273 -3.523 4.079 1.00 0.00 O ATOM 827 CB LEU A 57 -4.311 -3.704 2.814 1.00 0.00 C ATOM 828 CG LEU A 57 -5.405 -4.729 3.111 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.130 -5.122 1.833 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.815 -5.957 3.791 1.00 0.00 C ATOM 0 H LEU A 57 -4.940 -1.465 3.712 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.662 -3.778 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.743 -2.906 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.546 -4.185 2.205 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.127 -4.275 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.905 -5.852 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.586 -4.238 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.419 -5.557 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.608 -6.676 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.071 -6.413 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.343 -5.662 4.728 1.00 0.00 H new ATOM 842 N LYS A 58 -1.944 -1.650 3.029 1.00 0.00 N ATOM 843 CA LYS A 58 -0.594 -1.239 2.663 1.00 0.00 C ATOM 844 C LYS A 58 0.203 -0.827 3.897 1.00 0.00 C ATOM 845 O LYS A 58 1.425 -0.965 3.932 1.00 0.00 O ATOM 846 CB LYS A 58 -0.644 -0.081 1.664 1.00 0.00 C ATOM 847 CG LYS A 58 -0.929 1.265 2.308 1.00 0.00 C ATOM 848 CD LYS A 58 0.350 1.947 2.764 1.00 0.00 C ATOM 849 CE LYS A 58 0.241 3.461 2.662 1.00 0.00 C ATOM 850 NZ LYS A 58 -0.363 4.057 3.886 1.00 0.00 N ATOM 0 H LYS A 58 -2.677 -1.013 2.717 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.096 -2.090 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.307 -0.027 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.412 -0.288 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.451 1.906 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.593 1.128 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.566 1.665 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.186 1.599 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.232 3.887 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.363 3.724 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.420 5.090 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.318 3.670 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.227 3.828 4.711 1.00 0.00 H new ATOM 864 N GLN A 59 -0.499 -0.322 4.907 1.00 0.00 N ATOM 865 CA GLN A 59 0.144 0.110 6.142 1.00 0.00 C ATOM 866 C GLN A 59 1.009 -1.003 6.724 1.00 0.00 C ATOM 867 O GLN A 59 2.194 -0.806 6.990 1.00 0.00 O ATOM 868 CB GLN A 59 -0.908 0.542 7.166 1.00 0.00 C ATOM 869 CG GLN A 59 -1.614 1.838 6.803 1.00 0.00 C ATOM 870 CD GLN A 59 -2.063 2.619 8.022 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.332 2.728 9.007 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.270 3.168 7.962 1.00 0.00 N ATOM 0 H GLN A 59 -1.512 -0.202 4.894 1.00 0.00 H new ATOM 0 HA GLN A 59 0.785 0.960 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.650 -0.250 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.430 0.658 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.944 2.457 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.480 1.613 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.842 3.052 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.626 3.706 8.752 1.00 0.00 H new ATOM 881 N GLU A 60 0.408 -2.173 6.918 1.00 0.00 N ATOM 882 CA GLU A 60 1.125 -3.317 7.469 1.00 0.00 C ATOM 883 C GLU A 60 2.279 -3.726 6.558 1.00 0.00 C ATOM 884 O GLU A 60 3.380 -4.019 7.025 1.00 0.00 O ATOM 885 CB GLU A 60 0.172 -4.498 7.664 1.00 0.00 C ATOM 886 CG GLU A 60 -1.092 -4.140 8.428 1.00 0.00 C ATOM 887 CD GLU A 60 -0.819 -3.795 9.879 1.00 0.00 C ATOM 888 OE1 GLU A 60 -0.708 -4.730 10.700 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.717 -2.591 10.194 1.00 0.00 O ATOM 0 H GLU A 60 -0.572 -2.353 6.702 1.00 0.00 H new ATOM 0 HA GLU A 60 1.534 -3.025 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.104 -4.896 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.695 -5.292 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.578 -3.294 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.789 -4.977 8.382 1.00 0.00 H new ATOM 896 N HIS A 61 2.018 -3.746 5.255 1.00 0.00 N ATOM 897 CA HIS A 61 3.035 -4.119 4.277 1.00 0.00 C ATOM 898 C HIS A 61 4.247 -3.198 4.375 1.00 0.00 C ATOM 899 O HIS A 61 5.368 -3.654 4.596 1.00 0.00 O ATOM 900 CB HIS A 61 2.455 -4.070 2.863 1.00 0.00 C ATOM 901 CG HIS A 61 3.496 -3.966 1.792 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.224 -5.048 1.343 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.929 -2.901 1.078 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.061 -4.652 0.401 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.902 -3.353 0.221 1.00 0.00 N ATOM 0 H HIS A 61 1.112 -3.509 4.852 1.00 0.00 H new ATOM 0 HA HIS A 61 3.357 -5.137 4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.859 -4.966 2.693 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.779 -3.218 2.786 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.131 -6.004 1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.575 -1.884 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.757 -5.283 -0.132 1.00 0.00 H new ATOM 913 N GLU A 62 4.013 -1.900 4.207 1.00 0.00 N ATOM 914 CA GLU A 62 5.086 -0.916 4.275 1.00 0.00 C ATOM 915 C GLU A 62 6.120 -1.309 5.327 1.00 0.00 C ATOM 916 O GLU A 62 7.315 -1.381 5.041 1.00 0.00 O ATOM 917 CB GLU A 62 4.519 0.469 4.595 1.00 0.00 C ATOM 918 CG GLU A 62 4.206 1.298 3.361 1.00 0.00 C ATOM 919 CD GLU A 62 3.351 2.511 3.674 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.642 2.487 4.701 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.392 3.484 2.893 1.00 0.00 O ATOM 0 H GLU A 62 3.090 -1.506 4.023 1.00 0.00 H new ATOM 0 HA GLU A 62 5.577 -0.884 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.610 0.353 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.234 1.011 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.139 1.625 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.691 0.674 2.630 1.00 0.00 H new ATOM 928 N SER A 63 5.650 -1.563 6.544 1.00 0.00 N ATOM 929 CA SER A 63 6.532 -1.945 7.640 1.00 0.00 C ATOM 930 C SER A 63 7.417 -3.122 7.239 1.00 0.00 C ATOM 931 O SER A 63 8.601 -3.167 7.576 1.00 0.00 O ATOM 932 CB SER A 63 5.713 -2.307 8.880 1.00 0.00 C ATOM 933 OG SER A 63 6.554 -2.710 9.947 1.00 0.00 O ATOM 0 H SER A 63 4.663 -1.511 6.796 1.00 0.00 H new ATOM 0 HA SER A 63 7.172 -1.094 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.115 -1.449 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.017 -3.110 8.638 1.00 0.00 H new ATOM 0 HG SER A 63 6.007 -2.935 10.728 1.00 0.00 H new ATOM 939 N LYS A 64 6.835 -4.073 6.518 1.00 0.00 N ATOM 940 CA LYS A 64 7.568 -5.251 6.069 1.00 0.00 C ATOM 941 C LYS A 64 7.825 -5.192 4.567 1.00 0.00 C ATOM 942 O LYS A 64 8.013 -6.221 3.918 1.00 0.00 O ATOM 943 CB LYS A 64 6.791 -6.523 6.415 1.00 0.00 C ATOM 944 CG LYS A 64 5.404 -6.575 5.800 1.00 0.00 C ATOM 945 CD LYS A 64 4.434 -7.352 6.674 1.00 0.00 C ATOM 946 CE LYS A 64 4.711 -8.847 6.620 1.00 0.00 C ATOM 947 NZ LYS A 64 4.270 -9.538 7.864 1.00 0.00 N ATOM 0 H LYS A 64 5.856 -4.051 6.231 1.00 0.00 H new ATOM 0 HA LYS A 64 8.529 -5.268 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.361 -7.389 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.702 -6.601 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.032 -5.561 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.459 -7.039 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.511 -7.003 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.412 -7.158 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.197 -9.281 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.778 -9.014 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.476 -10.555 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.778 -9.142 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.247 -9.401 7.993 1.00 0.00 H new ATOM 961 N CYS A 65 7.834 -3.981 4.020 1.00 0.00 N ATOM 962 CA CYS A 65 8.069 -3.787 2.594 1.00 0.00 C ATOM 963 C CYS A 65 9.554 -3.918 2.265 1.00 0.00 C ATOM 964 O CYS A 65 10.394 -3.254 2.871 1.00 0.00 O ATOM 965 CB CYS A 65 7.557 -2.415 2.153 1.00 0.00 C ATOM 966 SG CYS A 65 7.828 -2.051 0.389 1.00 0.00 S ATOM 0 H CYS A 65 7.681 -3.119 4.543 1.00 0.00 H new ATOM 0 HA CYS A 65 7.525 -4.561 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.490 -2.352 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.047 -1.647 2.751 1.00 0.00 H new ATOM 0 HG CYS A 65 6.773 -2.391 -0.291 1.00 0.00 H new ATOM 971 N GLU A 66 9.867 -4.778 1.301 1.00 0.00 N ATOM 972 CA GLU A 66 11.250 -4.996 0.893 1.00 0.00 C ATOM 973 C GLU A 66 11.796 -3.778 0.152 1.00 0.00 C ATOM 974 O GLU A 66 13.007 -3.561 0.101 1.00 0.00 O ATOM 975 CB GLU A 66 11.353 -6.236 0.003 1.00 0.00 C ATOM 976 CG GLU A 66 10.445 -6.189 -1.214 1.00 0.00 C ATOM 977 CD GLU A 66 10.702 -7.331 -2.179 1.00 0.00 C ATOM 978 OE1 GLU A 66 11.783 -7.345 -2.805 1.00 0.00 O ATOM 979 OE2 GLU A 66 9.824 -8.209 -2.308 1.00 0.00 O ATOM 0 H GLU A 66 9.183 -5.334 0.789 1.00 0.00 H new ATOM 0 HA GLU A 66 11.847 -5.152 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.385 -6.350 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.109 -7.118 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.405 -6.221 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.588 -5.241 -1.733 1.00 0.00 H new ATOM 986 N TYR A 67 10.895 -2.989 -0.421 1.00 0.00 N ATOM 987 CA TYR A 67 11.286 -1.795 -1.162 1.00 0.00 C ATOM 988 C TYR A 67 11.549 -0.628 -0.215 1.00 0.00 C ATOM 989 O TYR A 67 12.421 0.205 -0.464 1.00 0.00 O ATOM 990 CB TYR A 67 10.198 -1.415 -2.168 1.00 0.00 C ATOM 991 CG TYR A 67 10.334 -2.115 -3.501 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.821 -3.392 -3.693 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.976 -1.500 -4.569 1.00 0.00 C ATOM 994 CE1 TYR A 67 9.944 -4.036 -4.909 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.102 -2.136 -5.789 1.00 0.00 C ATOM 996 CZ TYR A 67 10.585 -3.403 -5.954 1.00 0.00 C ATOM 997 OH TYR A 67 10.709 -4.041 -7.167 1.00 0.00 O ATOM 0 H TYR A 67 9.889 -3.154 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 67 12.208 -2.017 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.223 -1.650 -1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.224 -0.337 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.317 -3.890 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.383 -0.508 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.541 -5.029 -5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.603 -1.643 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 67 11.184 -3.459 -7.796 1.00 0.00 H new ATOM 1007 N LYS A 68 10.788 -0.575 0.873 1.00 0.00 N ATOM 1008 CA LYS A 68 10.938 0.487 1.860 1.00 0.00 C ATOM 1009 C LYS A 68 12.411 0.743 2.165 1.00 0.00 C ATOM 1010 O LYS A 68 12.911 1.853 1.978 1.00 0.00 O ATOM 1011 CB LYS A 68 10.196 0.123 3.148 1.00 0.00 C ATOM 1012 CG LYS A 68 10.363 1.148 4.257 1.00 0.00 C ATOM 1013 CD LYS A 68 9.868 0.613 5.590 1.00 0.00 C ATOM 1014 CE LYS A 68 9.800 1.710 6.641 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.174 1.231 7.904 1.00 0.00 N ATOM 0 H LYS A 68 10.061 -1.256 1.093 1.00 0.00 H new ATOM 0 HA LYS A 68 10.507 1.398 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.135 0.010 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.553 -0.844 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.414 1.425 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.814 2.055 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.881 0.170 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.531 -0.181 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.805 2.075 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.230 2.553 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.147 2.008 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.205 0.906 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.732 0.444 8.291 1.00 0.00 H new ATOM 1029 N LYS A 69 13.102 -0.290 2.634 1.00 0.00 N ATOM 1030 CA LYS A 69 14.518 -0.179 2.962 1.00 0.00 C ATOM 1031 C LYS A 69 15.285 0.508 1.836 1.00 0.00 C ATOM 1032 O LYS A 69 16.288 1.181 2.076 1.00 0.00 O ATOM 1033 CB LYS A 69 15.111 -1.564 3.227 1.00 0.00 C ATOM 1034 CG LYS A 69 14.655 -2.621 2.237 1.00 0.00 C ATOM 1035 CD LYS A 69 15.671 -2.820 1.125 1.00 0.00 C ATOM 1036 CE LYS A 69 16.607 -3.981 1.427 1.00 0.00 C ATOM 1037 NZ LYS A 69 17.816 -3.538 2.176 1.00 0.00 N ATOM 0 H LYS A 69 12.704 -1.215 2.796 1.00 0.00 H new ATOM 0 HA LYS A 69 14.610 0.427 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.198 -1.496 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.839 -1.880 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.496 -3.565 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.697 -2.329 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.152 -3.005 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.252 -1.907 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.075 -4.734 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.911 -4.455 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.476 -4.336 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.282 -2.766 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.536 -3.203 3.120 1.00 0.00 H new ATOM 1051 N LEU A 70 14.807 0.333 0.609 1.00 0.00 N ATOM 1052 CA LEU A 70 15.447 0.938 -0.554 1.00 0.00 C ATOM 1053 C LEU A 70 14.896 2.336 -0.814 1.00 0.00 C ATOM 1054 O LEU A 70 14.953 2.840 -1.936 1.00 0.00 O ATOM 1055 CB LEU A 70 15.240 0.058 -1.789 1.00 0.00 C ATOM 1056 CG LEU A 70 16.128 -1.183 -1.885 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.616 -2.123 -2.966 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.571 -0.787 -2.160 1.00 0.00 C ATOM 0 H LEU A 70 13.979 -0.222 0.394 1.00 0.00 H new ATOM 0 HA LEU A 70 16.514 1.021 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.198 -0.262 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.405 0.668 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 70 16.092 -1.707 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.260 -3.001 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.599 -2.434 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.621 -1.609 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.188 -1.683 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.625 -0.240 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.935 -0.154 -1.351 1.00 0.00 H new ATOM 1070 N THR A 71 14.364 2.961 0.233 1.00 0.00 N ATOM 1071 CA THR A 71 13.804 4.301 0.119 1.00 0.00 C ATOM 1072 C THR A 71 14.561 5.290 0.998 1.00 0.00 C ATOM 1073 O THR A 71 14.779 5.040 2.184 1.00 0.00 O ATOM 1074 CB THR A 71 12.314 4.322 0.507 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.566 3.474 -0.371 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.758 5.738 0.447 1.00 0.00 C ATOM 0 H THR A 71 14.310 2.560 1.169 1.00 0.00 H new ATOM 0 HA THR A 71 13.904 4.597 -0.925 1.00 0.00 H new ATOM 0 HB THR A 71 12.224 3.956 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.691 3.283 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.704 5.727 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.309 6.375 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.862 6.127 -0.566 1.00 0.00 H new ATOM 1084 N CYS A 72 14.958 6.414 0.411 1.00 0.00 N ATOM 1085 CA CYS A 72 15.691 7.441 1.141 1.00 0.00 C ATOM 1086 C CYS A 72 14.732 8.440 1.783 1.00 0.00 C ATOM 1087 O CYS A 72 14.543 9.548 1.280 1.00 0.00 O ATOM 1088 CB CYS A 72 16.654 8.173 0.205 1.00 0.00 C ATOM 1089 SG CYS A 72 17.875 9.217 1.063 1.00 0.00 S ATOM 0 H CYS A 72 14.784 6.637 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 72 16.263 6.952 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.183 7.438 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.077 8.795 -0.479 1.00 0.00 H new ATOM 0 HG CYS A 72 18.743 8.462 1.668 1.00 0.00 H new ATOM 1094 N LEU A 73 14.130 8.040 2.898 1.00 0.00 N ATOM 1095 CA LEU A 73 13.191 8.899 3.611 1.00 0.00 C ATOM 1096 C LEU A 73 13.677 10.345 3.622 1.00 0.00 C ATOM 1097 O LEU A 73 12.884 11.277 3.492 1.00 0.00 O ATOM 1098 CB LEU A 73 13.002 8.402 5.045 1.00 0.00 C ATOM 1099 CG LEU A 73 12.580 6.940 5.198 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.363 6.598 6.664 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.321 6.660 4.391 1.00 0.00 C ATOM 0 H LEU A 73 14.275 7.126 3.328 1.00 0.00 H new ATOM 0 HA LEU A 73 12.234 8.860 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.937 8.548 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.253 9.028 5.530 1.00 0.00 H new ATOM 0 HG LEU A 73 13.381 6.309 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.063 5.554 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.289 6.758 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.581 7.237 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.036 5.615 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.512 7.300 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.511 6.864 3.337 1.00 0.00 H new ATOM 1113 N GLU A 74 14.985 10.524 3.777 1.00 0.00 N ATOM 1114 CA GLU A 74 15.576 11.857 3.804 1.00 0.00 C ATOM 1115 C GLU A 74 14.989 12.734 2.701 1.00 0.00 C ATOM 1116 O GLU A 74 14.470 13.818 2.966 1.00 0.00 O ATOM 1117 CB GLU A 74 17.095 11.768 3.646 1.00 0.00 C ATOM 1118 CG GLU A 74 17.773 10.946 4.729 1.00 0.00 C ATOM 1119 CD GLU A 74 17.363 11.369 6.126 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.327 10.872 6.616 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.077 12.197 6.729 1.00 0.00 O ATOM 0 H GLU A 74 15.655 9.763 3.886 1.00 0.00 H new ATOM 0 HA GLU A 74 15.344 12.311 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.326 11.333 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.512 12.775 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.530 9.893 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.854 11.040 4.628 1.00 0.00 H new ATOM 1128 N CYS A 75 15.076 12.256 1.464 1.00 0.00 N ATOM 1129 CA CYS A 75 14.556 12.995 0.321 1.00 0.00 C ATOM 1130 C CYS A 75 13.539 12.159 -0.451 1.00 0.00 C ATOM 1131 O CYS A 75 13.285 12.404 -1.630 1.00 0.00 O ATOM 1132 CB CYS A 75 15.700 13.411 -0.607 1.00 0.00 C ATOM 1133 SG CYS A 75 16.567 12.014 -1.391 1.00 0.00 S ATOM 0 H CYS A 75 15.502 11.360 1.228 1.00 0.00 H new ATOM 0 HA CYS A 75 14.056 13.889 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.303 14.062 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.420 13.998 -0.037 1.00 0.00 H new ATOM 0 HG CYS A 75 16.945 11.170 -0.477 1.00 0.00 H new ATOM 1138 N MET A 76 12.961 11.170 0.224 1.00 0.00 N ATOM 1139 CA MET A 76 11.971 10.299 -0.398 1.00 0.00 C ATOM 1140 C MET A 76 12.445 9.829 -1.769 1.00 0.00 C ATOM 1141 O MET A 76 11.750 10.005 -2.770 1.00 0.00 O ATOM 1142 CB MET A 76 10.631 11.025 -0.529 1.00 0.00 C ATOM 1143 CG MET A 76 9.793 10.989 0.738 1.00 0.00 C ATOM 1144 SD MET A 76 8.677 9.574 0.793 1.00 0.00 S ATOM 1145 CE MET A 76 9.789 8.288 1.358 1.00 0.00 C ATOM 0 H MET A 76 13.161 10.952 1.200 1.00 0.00 H new ATOM 0 HA MET A 76 11.841 9.425 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.815 12.064 -0.803 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.062 10.576 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.453 10.960 1.605 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.212 11.908 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.209 7.443 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.418 7.961 0.530 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.417 8.676 2.160 1.00 0.00 H new ATOM 1155 N ARG A 77 13.631 9.231 -1.808 1.00 0.00 N ATOM 1156 CA ARG A 77 14.198 8.738 -3.057 1.00 0.00 C ATOM 1157 C ARG A 77 14.351 7.220 -3.023 1.00 0.00 C ATOM 1158 O ARG A 77 15.205 6.687 -2.312 1.00 0.00 O ATOM 1159 CB ARG A 77 15.555 9.392 -3.320 1.00 0.00 C ATOM 1160 CG ARG A 77 15.476 10.621 -4.212 1.00 0.00 C ATOM 1161 CD ARG A 77 16.753 10.808 -5.017 1.00 0.00 C ATOM 1162 NE ARG A 77 16.687 10.136 -6.312 1.00 0.00 N ATOM 1163 CZ ARG A 77 16.058 10.638 -7.368 1.00 0.00 C ATOM 1164 NH1 ARG A 77 15.444 11.810 -7.284 1.00 0.00 N ATOM 1165 NH2 ARG A 77 16.042 9.967 -8.513 1.00 0.00 N ATOM 0 H ARG A 77 14.218 9.076 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 77 13.514 8.999 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.004 9.673 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.218 8.660 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.628 10.526 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.297 11.505 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.933 11.872 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.599 10.420 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 77 17.149 9.232 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.454 12.329 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.962 12.193 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.513 9.065 -8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.559 10.353 -9.324 1.00 0.00 H new ATOM 1179 N THR A 78 13.519 6.528 -3.795 1.00 0.00 N ATOM 1180 CA THR A 78 13.560 5.072 -3.851 1.00 0.00 C ATOM 1181 C THR A 78 14.500 4.592 -4.951 1.00 0.00 C ATOM 1182 O THR A 78 14.503 5.130 -6.058 1.00 0.00 O ATOM 1183 CB THR A 78 12.159 4.480 -4.093 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.183 5.204 -3.336 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.120 3.009 -3.706 1.00 0.00 C ATOM 0 H THR A 78 12.808 6.953 -4.390 1.00 0.00 H new ATOM 0 HA THR A 78 13.929 4.728 -2.885 1.00 0.00 H new ATOM 0 HB THR A 78 11.930 4.567 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.295 4.822 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.121 2.612 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.843 2.456 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.368 2.904 -2.650 1.00 0.00 H new ATOM 1193 N PHE A 79 15.296 3.574 -4.640 1.00 0.00 N ATOM 1194 CA PHE A 79 16.242 3.021 -5.602 1.00 0.00 C ATOM 1195 C PHE A 79 15.935 1.552 -5.882 1.00 0.00 C ATOM 1196 O PHE A 79 15.062 0.957 -5.251 1.00 0.00 O ATOM 1197 CB PHE A 79 17.674 3.165 -5.083 1.00 0.00 C ATOM 1198 CG PHE A 79 18.160 4.585 -5.053 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.674 5.478 -4.112 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.104 5.028 -5.966 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.120 6.786 -4.083 1.00 0.00 C ATOM 1202 CE2 PHE A 79 19.554 6.334 -5.941 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.062 7.215 -4.998 1.00 0.00 C ATOM 0 H PHE A 79 15.305 3.115 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 79 16.144 3.579 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.731 2.748 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.341 2.574 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.938 5.149 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 79 19.493 4.344 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.732 7.473 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.290 6.666 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.413 8.236 -4.976 1.00 0.00 H new ATOM 1213 N LYS A 80 16.660 0.974 -6.834 1.00 0.00 N ATOM 1214 CA LYS A 80 16.468 -0.424 -7.199 1.00 0.00 C ATOM 1215 C LYS A 80 17.315 -1.338 -6.318 1.00 0.00 C ATOM 1216 O LYS A 80 16.894 -2.438 -5.964 1.00 0.00 O ATOM 1217 CB LYS A 80 16.827 -0.642 -8.671 1.00 0.00 C ATOM 1218 CG LYS A 80 18.316 -0.545 -8.955 1.00 0.00 C ATOM 1219 CD LYS A 80 18.987 -1.906 -8.890 1.00 0.00 C ATOM 1220 CE LYS A 80 19.001 -2.587 -10.250 1.00 0.00 C ATOM 1221 NZ LYS A 80 20.131 -2.111 -11.096 1.00 0.00 N ATOM 0 H LYS A 80 17.386 1.453 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 80 15.418 -0.672 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.470 -1.624 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.301 0.095 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.471 -0.109 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.782 0.126 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.009 -1.792 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.464 -2.537 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.077 -3.666 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.058 -2.396 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.106 -2.598 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.045 -1.085 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.032 -2.316 -10.619 1.00 0.00 H new ATOM 1235 N SER A 81 18.510 -0.873 -5.968 1.00 0.00 N ATOM 1236 CA SER A 81 19.416 -1.649 -5.130 1.00 0.00 C ATOM 1237 C SER A 81 19.979 -0.793 -3.999 1.00 0.00 C ATOM 1238 O SER A 81 19.787 0.423 -3.972 1.00 0.00 O ATOM 1239 CB SER A 81 20.560 -2.219 -5.971 1.00 0.00 C ATOM 1240 OG SER A 81 21.402 -1.186 -6.453 1.00 0.00 O ATOM 0 H SER A 81 18.873 0.037 -6.252 1.00 0.00 H new ATOM 0 HA SER A 81 18.851 -2.472 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.143 -2.918 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.153 -2.782 -6.811 1.00 0.00 H new ATOM 0 HG SER A 81 22.126 -1.576 -6.986 1.00 0.00 H new ATOM 1246 N SER A 82 20.675 -1.437 -3.068 1.00 0.00 N ATOM 1247 CA SER A 82 21.263 -0.736 -1.932 1.00 0.00 C ATOM 1248 C SER A 82 22.601 -0.111 -2.313 1.00 0.00 C ATOM 1249 O SER A 82 22.990 0.926 -1.776 1.00 0.00 O ATOM 1250 CB SER A 82 21.452 -1.696 -0.756 1.00 0.00 C ATOM 1251 OG SER A 82 20.249 -1.847 -0.022 1.00 0.00 O ATOM 0 H SER A 82 20.846 -2.443 -3.078 1.00 0.00 H new ATOM 0 HA SER A 82 20.581 0.061 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.781 -2.668 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.238 -1.322 -0.100 1.00 0.00 H new ATOM 0 HG SER A 82 20.396 -2.467 0.723 1.00 0.00 H new ATOM 1257 N PHE A 83 23.301 -0.750 -3.244 1.00 0.00 N ATOM 1258 CA PHE A 83 24.597 -0.258 -3.698 1.00 0.00 C ATOM 1259 C PHE A 83 24.453 1.092 -4.394 1.00 0.00 C ATOM 1260 O PHE A 83 25.268 1.994 -4.199 1.00 0.00 O ATOM 1261 CB PHE A 83 25.246 -1.267 -4.647 1.00 0.00 C ATOM 1262 CG PHE A 83 26.562 -0.806 -5.205 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.739 -1.023 -4.507 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.622 -0.156 -6.427 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.951 -0.599 -5.018 1.00 0.00 C ATOM 1266 CE2 PHE A 83 27.831 0.271 -6.943 1.00 0.00 C ATOM 1267 CZ PHE A 83 28.998 0.048 -6.237 1.00 0.00 C ATOM 0 H PHE A 83 22.993 -1.609 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 83 25.235 -0.130 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.395 -2.208 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.562 -1.470 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.709 -1.529 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 83 25.713 0.019 -6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.861 -0.774 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 83 27.864 0.778 -7.896 1.00 0.00 H new ATOM 0 HZ PHE A 83 29.945 0.379 -6.638 1.00 0.00 H new ATOM 1277 N SER A 84 23.410 1.223 -5.208 1.00 0.00 N ATOM 1278 CA SER A 84 23.161 2.461 -5.937 1.00 0.00 C ATOM 1279 C SER A 84 22.825 3.599 -4.978 1.00 0.00 C ATOM 1280 O SER A 84 23.527 4.609 -4.926 1.00 0.00 O ATOM 1281 CB SER A 84 22.019 2.268 -6.937 1.00 0.00 C ATOM 1282 OG SER A 84 22.074 3.237 -7.969 1.00 0.00 O ATOM 0 H SER A 84 22.724 0.487 -5.379 1.00 0.00 H new ATOM 0 HA SER A 84 24.070 2.723 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.075 1.269 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.062 2.338 -6.419 1.00 0.00 H new ATOM 0 HG SER A 84 21.335 3.090 -8.595 1.00 0.00 H new ATOM 1288 N ILE A 85 21.747 3.427 -4.220 1.00 0.00 N ATOM 1289 CA ILE A 85 21.319 4.438 -3.262 1.00 0.00 C ATOM 1290 C ILE A 85 22.451 4.808 -2.310 1.00 0.00 C ATOM 1291 O ILE A 85 22.689 5.985 -2.041 1.00 0.00 O ATOM 1292 CB ILE A 85 20.108 3.957 -2.440 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.605 5.078 -1.529 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.478 2.729 -1.622 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.250 4.798 -0.917 1.00 0.00 C ATOM 0 H ILE A 85 21.155 2.597 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 85 21.031 5.317 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 85 19.306 3.685 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.329 5.238 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.552 6.004 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.612 2.401 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.794 1.928 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.293 2.977 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.957 5.635 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.513 4.667 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.303 3.890 -0.317 1.00 0.00 H new ATOM 1307 N TRP A 86 23.146 3.796 -1.805 1.00 0.00 N ATOM 1308 CA TRP A 86 24.255 4.015 -0.883 1.00 0.00 C ATOM 1309 C TRP A 86 25.120 5.185 -1.341 1.00 0.00 C ATOM 1310 O TRP A 86 25.537 6.013 -0.531 1.00 0.00 O ATOM 1311 CB TRP A 86 25.107 2.750 -0.768 1.00 0.00 C ATOM 1312 CG TRP A 86 26.240 2.882 0.204 1.00 0.00 C ATOM 1313 CD1 TRP A 86 26.168 3.342 1.488 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.614 2.554 -0.030 1.00 0.00 C ATOM 1315 NE1 TRP A 86 27.414 3.319 2.066 1.00 0.00 N ATOM 1316 CE2 TRP A 86 28.318 2.839 1.156 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.317 2.045 -1.125 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.690 2.633 1.274 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.678 1.841 -1.006 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.353 2.134 0.186 1.00 0.00 C ATOM 0 H TRP A 86 22.962 2.816 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 86 23.840 4.255 0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.471 1.919 -0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.508 2.500 -1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 86 25.264 3.675 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 86 27.631 3.612 3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.805 1.815 -2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 30.212 2.859 2.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.231 1.449 -1.847 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.418 1.963 0.247 1.00 0.00 H new ATOM 1331 N ARG A 87 25.385 5.246 -2.642 1.00 0.00 N ATOM 1332 CA ARG A 87 26.200 6.315 -3.205 1.00 0.00 C ATOM 1333 C ARG A 87 25.447 7.642 -3.185 1.00 0.00 C ATOM 1334 O ARG A 87 26.053 8.710 -3.085 1.00 0.00 O ATOM 1335 CB ARG A 87 26.610 5.971 -4.638 1.00 0.00 C ATOM 1336 CG ARG A 87 27.477 4.727 -4.742 1.00 0.00 C ATOM 1337 CD ARG A 87 28.843 4.946 -4.111 1.00 0.00 C ATOM 1338 NE ARG A 87 29.658 5.883 -4.880 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.373 5.534 -5.943 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.375 4.276 -6.361 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.089 6.445 -6.590 1.00 0.00 N ATOM 0 H ARG A 87 25.047 4.568 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 87 27.095 6.416 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 87 25.712 5.829 -5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.150 6.816 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 87 26.978 3.892 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.599 4.454 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.717 5.323 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.364 3.992 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 87 29.679 6.859 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 87 29.826 3.573 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 87 30.925 4.011 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.090 7.414 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.638 6.176 -7.407 1.00 0.00 H new ATOM 1355 N HIS A 88 24.124 7.567 -3.281 1.00 0.00 N ATOM 1356 CA HIS A 88 23.288 8.762 -3.273 1.00 0.00 C ATOM 1357 C HIS A 88 23.234 9.379 -1.879 1.00 0.00 C ATOM 1358 O HIS A 88 23.010 10.580 -1.730 1.00 0.00 O ATOM 1359 CB HIS A 88 21.874 8.425 -3.749 1.00 0.00 C ATOM 1360 CG HIS A 88 20.845 9.427 -3.327 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.580 10.579 -4.038 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.012 9.445 -2.260 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.629 11.262 -3.426 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.267 10.596 -2.345 1.00 0.00 N ATOM 0 H HIS A 88 23.607 6.691 -3.365 1.00 0.00 H new ATOM 0 HA HIS A 88 23.730 9.488 -3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.873 8.352 -4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.594 7.445 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.946 8.694 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.218 12.205 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.550 10.889 -1.681 1.00 0.00 H new ATOM 1372 N GLN A 89 23.440 8.549 -0.862 1.00 0.00 N ATOM 1373 CA GLN A 89 23.413 9.013 0.520 1.00 0.00 C ATOM 1374 C GLN A 89 24.823 9.305 1.024 1.00 0.00 C ATOM 1375 O GLN A 89 25.009 10.062 1.977 1.00 0.00 O ATOM 1376 CB GLN A 89 22.744 7.971 1.418 1.00 0.00 C ATOM 1377 CG GLN A 89 21.440 7.431 0.855 1.00 0.00 C ATOM 1378 CD GLN A 89 20.811 6.377 1.745 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.792 6.622 2.392 1.00 0.00 O ATOM 1380 NE2 GLN A 89 21.416 5.196 1.783 1.00 0.00 N ATOM 0 H GLN A 89 23.627 7.552 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 89 22.835 9.937 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.434 7.142 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.552 8.415 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.738 8.254 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.623 7.005 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 89 22.258 5.037 1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.038 4.448 2.365 1.00 0.00 H new ATOM 1389 N VAL A 90 25.814 8.699 0.378 1.00 0.00 N ATOM 1390 CA VAL A 90 27.208 8.895 0.759 1.00 0.00 C ATOM 1391 C VAL A 90 27.828 10.061 -0.001 1.00 0.00 C ATOM 1392 O VAL A 90 28.789 10.675 0.461 1.00 0.00 O ATOM 1393 CB VAL A 90 28.043 7.627 0.502 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.522 7.907 0.722 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.570 6.487 1.392 1.00 0.00 C ATOM 0 H VAL A 90 25.677 8.068 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 90 27.216 9.117 1.826 1.00 0.00 H new ATOM 0 HB VAL A 90 27.905 7.328 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.096 6.999 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.850 8.690 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.682 8.233 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 90 28.171 5.599 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.676 6.774 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.523 6.270 1.180 1.00 0.00 H new ATOM 1405 N GLU A 91 27.270 10.362 -1.170 1.00 0.00 N ATOM 1406 CA GLU A 91 27.769 11.456 -1.995 1.00 0.00 C ATOM 1407 C GLU A 91 27.002 12.744 -1.712 1.00 0.00 C ATOM 1408 O GLU A 91 27.550 13.842 -1.816 1.00 0.00 O ATOM 1409 CB GLU A 91 27.658 11.098 -3.478 1.00 0.00 C ATOM 1410 CG GLU A 91 28.599 9.985 -3.908 1.00 0.00 C ATOM 1411 CD GLU A 91 29.065 10.137 -5.343 1.00 0.00 C ATOM 1412 OE1 GLU A 91 28.233 10.494 -6.203 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.263 9.900 -5.605 1.00 0.00 O ATOM 0 H GLU A 91 26.473 9.864 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 91 28.818 11.616 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.632 10.799 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.864 11.987 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.466 9.972 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.096 9.025 -3.793 1.00 0.00 H new ATOM 1420 N VAL A 92 25.730 12.602 -1.355 1.00 0.00 N ATOM 1421 CA VAL A 92 24.886 13.753 -1.056 1.00 0.00 C ATOM 1422 C VAL A 92 24.716 13.935 0.448 1.00 0.00 C ATOM 1423 O VAL A 92 25.074 14.974 1.003 1.00 0.00 O ATOM 1424 CB VAL A 92 23.497 13.615 -1.706 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.686 14.886 -1.510 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.631 13.281 -3.184 1.00 0.00 C ATOM 0 H VAL A 92 25.261 11.701 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 92 25.387 14.628 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 92 22.967 12.796 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.708 14.769 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.560 15.076 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.208 15.725 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.640 13.187 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.180 14.076 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.169 12.340 -3.297 1.00 0.00 H new ATOM 1436 N HIS A 93 24.168 12.917 1.103 1.00 0.00 N ATOM 1437 CA HIS A 93 23.951 12.963 2.545 1.00 0.00 C ATOM 1438 C HIS A 93 25.216 12.562 3.298 1.00 0.00 C ATOM 1439 O HIS A 93 25.262 12.618 4.526 1.00 0.00 O ATOM 1440 CB HIS A 93 22.796 12.041 2.938 1.00 0.00 C ATOM 1441 CG HIS A 93 21.502 12.381 2.264 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.537 13.176 2.844 1.00 0.00 N ATOM 1443 CD2 HIS A 93 21.018 12.030 1.049 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.514 13.298 2.017 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.781 12.613 0.921 1.00 0.00 N ATOM 0 H HIS A 93 23.866 12.050 0.659 1.00 0.00 H new ATOM 0 HA HIS A 93 23.697 13.988 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.064 11.013 2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.657 12.087 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.512 11.408 0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.613 13.862 2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.168 12.530 0.110 1.00 0.00 H new ATOM 1453 N ASN A 94 26.239 12.158 2.552 1.00 0.00 N ATOM 1454 CA ASN A 94 27.504 11.747 3.150 1.00 0.00 C ATOM 1455 C ASN A 94 27.269 10.974 4.444 1.00 0.00 C ATOM 1456 O ASN A 94 27.800 11.329 5.496 1.00 0.00 O ATOM 1457 CB ASN A 94 28.384 12.968 3.425 1.00 0.00 C ATOM 1458 CG ASN A 94 28.387 13.950 2.270 1.00 0.00 C ATOM 1459 OD1 ASN A 94 27.332 14.358 1.784 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.577 14.334 1.823 1.00 0.00 N ATOM 0 H ASN A 94 26.217 12.106 1.534 1.00 0.00 H new ATOM 0 HA ASN A 94 28.014 11.092 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.031 13.471 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 94 29.405 12.640 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 94 29.642 14.993 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 94 30.426 13.970 2.256 1.00 0.00 H new ATOM 1467 N GLN A 95 26.470 9.915 4.358 1.00 0.00 N ATOM 1468 CA GLN A 95 26.164 9.092 5.522 1.00 0.00 C ATOM 1469 C GLN A 95 26.912 7.765 5.462 1.00 0.00 C ATOM 1470 O GLN A 95 26.792 7.017 4.492 1.00 0.00 O ATOM 1471 CB GLN A 95 24.658 8.839 5.613 1.00 0.00 C ATOM 1472 CG GLN A 95 24.054 8.297 4.328 1.00 0.00 C ATOM 1473 CD GLN A 95 22.737 7.582 4.558 1.00 0.00 C ATOM 1474 OE1 GLN A 95 22.682 6.352 4.584 1.00 0.00 O ATOM 1475 NE2 GLN A 95 21.667 8.350 4.728 1.00 0.00 N ATOM 0 H GLN A 95 26.023 9.607 3.494 1.00 0.00 H new ATOM 0 HA GLN A 95 26.489 9.631 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.465 8.134 6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.157 9.770 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.900 9.119 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 95 24.759 7.610 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.758 9.365 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.754 7.924 4.888 1.00 0.00 H new ATOM 1484 N ASN A 96 27.684 7.478 6.505 1.00 0.00 N ATOM 1485 CA ASN A 96 28.453 6.241 6.570 1.00 0.00 C ATOM 1486 C ASN A 96 28.176 5.496 7.873 1.00 0.00 C ATOM 1487 O ASN A 96 28.213 4.268 7.917 1.00 0.00 O ATOM 1488 CB ASN A 96 29.948 6.538 6.447 1.00 0.00 C ATOM 1489 CG ASN A 96 30.544 7.056 7.742 1.00 0.00 C ATOM 1490 OD1 ASN A 96 30.554 8.261 7.995 1.00 0.00 O ATOM 1491 ND2 ASN A 96 31.043 6.145 8.569 1.00 0.00 N ATOM 0 H ASN A 96 27.794 8.086 7.317 1.00 0.00 H new ATOM 0 HA ASN A 96 28.146 5.608 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 96 30.472 5.631 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 96 30.106 7.273 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 96 31.456 6.433 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 96 31.013 5.157 8.318 1.00 0.00 H new