USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 61 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.85) USER MOD Set 2.1: A 52 ASN : amide:sc= -8.33! C(o=-23!,f=-13!) USER MOD Set 2.2: A 53 GLN : amide:sc= -14.9! C(o=-23!,f=-13!) USER MOD Set 3.1: A 37 THR OG1 : rot 89:sc= 0.567 USER MOD Set 3.2: A 38 ASN : amide:sc= -2.95 K(o=-2.4,f=-0.21) USER MOD Set 4.1: A 5 TYR OH : rot -128:sc= -1.55! USER MOD Set 4.2: A 9 LYS NZ :NH3+ -151:sc= 0.461 (180deg=-0.397) USER MOD Single : A 6 GLN : amide:sc= -6.77! K(o=-6.8!,f=0.46) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 61:sc= -0.519 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -2.17! (180deg=-2.17!) USER MOD Single : A 35 TYR OH : rot -9:sc= -1.87! USER MOD Single : A 42 GLN : amide:sc= -0.688 K(o=-0.69,f=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 128:sc= -1.58 USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= -12.3! (180deg=-14.8!) USER MOD Single : A 55 THR OG1 : rot -83:sc= 1.07 USER MOD Single : A 58 GLN : amide:sc= -0.723 K(o=-0.72,f=-1.3) USER MOD Single : A 67 SER OG : rot 31:sc= -3.52! USER MOD Single : A 72 ASN : amide:sc= -12.5! C(o=-13!,f=-8!) USER MOD Single : A 75 THR OG1 : rot 129:sc= -2.95! USER MOD Single : A 77 SER OG : rot 180:sc= -1.4! USER MOD Single : A 78 GLN : amide:sc= -0.797 K(o=-0.8,f=-0.2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -10.6! C(o=-11!,f=-5.6!) USER MOD Single : A 90 GLN : amide:sc= -4.21! C(o=-4.2!,f=-1.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -161:sc= -2.03! USER MOD Single : A 97 ASN : amide:sc= -7.34! C(o=-7.3!,f=-7!) USER MOD Single : A 98 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.5) USER MOD Single : A 102 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.51) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -141:sc= -3.52! (180deg=-5.76!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 4 -16.231 7.969 -0.419 1.00 0.65 N ATOM 50 CA LEU A 4 -15.953 7.659 -1.813 1.00 0.69 C ATOM 51 C LEU A 4 -15.621 6.182 -2.001 1.00 0.69 C ATOM 52 O LEU A 4 -15.097 5.785 -3.038 1.00 0.91 O ATOM 53 CB LEU A 4 -14.786 8.516 -2.288 1.00 0.65 C ATOM 54 CG LEU A 4 -14.965 9.184 -3.655 1.00 0.81 C ATOM 55 CD1 LEU A 4 -16.204 10.066 -3.670 1.00 1.51 C ATOM 56 CD2 LEU A 4 -13.730 9.999 -4.013 1.00 1.29 C ATOM 0 HA LEU A 4 -16.844 7.876 -2.402 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -14.604 9.293 -1.546 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -13.892 7.893 -2.323 1.00 0.65 H new ATOM 0 HG LEU A 4 -15.096 8.401 -4.402 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -16.309 10.529 -4.651 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -17.085 9.460 -3.459 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -16.107 10.842 -2.911 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -13.873 10.467 -4.987 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -13.572 10.770 -3.259 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -12.860 9.344 -4.050 1.00 1.29 H new ATOM 68 N TYR A 5 -15.936 5.380 -0.993 1.00 0.60 N ATOM 69 CA TYR A 5 -15.687 3.948 -1.016 1.00 0.61 C ATOM 70 C TYR A 5 -16.003 3.385 0.354 1.00 0.58 C ATOM 71 O TYR A 5 -15.937 4.098 1.353 1.00 0.63 O ATOM 72 CB TYR A 5 -14.237 3.626 -1.397 1.00 0.60 C ATOM 73 CG TYR A 5 -13.215 4.233 -0.470 1.00 0.47 C ATOM 74 CD1 TYR A 5 -12.737 5.520 -0.676 1.00 0.43 C ATOM 75 CD2 TYR A 5 -12.734 3.516 0.612 1.00 0.50 C ATOM 76 CE1 TYR A 5 -11.804 6.080 0.178 1.00 0.34 C ATOM 77 CE2 TYR A 5 -11.799 4.064 1.471 1.00 0.48 C ATOM 78 CZ TYR A 5 -11.340 5.347 1.251 1.00 0.36 C ATOM 79 OH TYR A 5 -10.412 5.896 2.106 1.00 0.40 O ATOM 0 H TYR A 5 -16.374 5.708 -0.132 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.325 3.493 -1.774 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.106 2.544 -1.409 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.050 3.981 -2.411 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.099 6.093 -1.517 1.00 0.43 H new ATOM 0 HD2 TYR A 5 -13.094 2.513 0.788 1.00 0.50 H new ATOM 0 HE1 TYR A 5 -11.442 7.083 0.006 1.00 0.34 H new ATOM 0 HE2 TYR A 5 -11.430 3.491 2.309 1.00 0.48 H new ATOM 0 HH TYR A 5 -9.651 5.286 2.198 1.00 0.40 H new ATOM 89 N GLN A 6 -16.358 2.120 0.398 1.00 0.62 N ATOM 90 CA GLN A 6 -16.711 1.485 1.651 1.00 0.63 C ATOM 91 C GLN A 6 -15.572 1.567 2.658 1.00 0.59 C ATOM 92 O GLN A 6 -14.606 0.810 2.586 1.00 0.64 O ATOM 93 CB GLN A 6 -17.107 0.040 1.407 1.00 0.78 C ATOM 94 CG GLN A 6 -18.420 -0.086 0.651 1.00 1.57 C ATOM 95 CD GLN A 6 -18.238 -0.182 -0.856 1.00 1.64 C ATOM 96 OE1 GLN A 6 -19.176 -0.514 -1.582 1.00 2.13 O ATOM 97 NE2 GLN A 6 -17.034 0.106 -1.337 1.00 1.48 N ATOM 0 H GLN A 6 -16.410 1.510 -0.418 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.561 2.020 2.075 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -16.318 -0.459 0.844 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -17.191 -0.476 2.363 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -18.951 -0.970 1.003 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -19.048 0.775 0.880 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -16.283 0.377 -0.702 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -16.861 0.056 -2.341 1.00 1.48 H new ATOM 106 N LEU A 7 -15.703 2.500 3.600 1.00 0.61 N ATOM 107 CA LEU A 7 -14.694 2.696 4.631 1.00 0.62 C ATOM 108 C LEU A 7 -14.515 1.427 5.441 1.00 0.65 C ATOM 109 O LEU A 7 -15.330 1.102 6.304 1.00 0.72 O ATOM 110 CB LEU A 7 -15.080 3.852 5.552 1.00 0.67 C ATOM 111 CG LEU A 7 -14.517 5.213 5.147 1.00 0.84 C ATOM 112 CD1 LEU A 7 -15.618 6.101 4.589 1.00 1.39 C ATOM 113 CD2 LEU A 7 -13.837 5.882 6.333 1.00 1.14 C ATOM 0 H LEU A 7 -16.501 3.132 3.667 1.00 0.61 H new ATOM 0 HA LEU A 7 -13.751 2.941 4.142 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -16.167 3.921 5.588 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -14.742 3.621 6.562 1.00 0.67 H new ATOM 0 HG LEU A 7 -13.772 5.060 4.366 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -15.198 7.066 4.306 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -16.059 5.626 3.713 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -16.387 6.248 5.348 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -13.442 6.851 6.027 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -14.561 6.023 7.136 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -13.021 5.252 6.687 1.00 1.14 H new ATOM 125 N GLU A 8 -13.450 0.702 5.139 1.00 0.63 N ATOM 126 CA GLU A 8 -13.164 -0.546 5.815 1.00 0.66 C ATOM 127 C GLU A 8 -11.980 -0.401 6.784 1.00 0.77 C ATOM 128 O GLU A 8 -12.157 -0.480 7.998 1.00 1.39 O ATOM 129 CB GLU A 8 -12.947 -1.649 4.763 1.00 0.71 C ATOM 130 CG GLU A 8 -11.593 -1.635 4.066 1.00 1.04 C ATOM 131 CD GLU A 8 -11.373 -0.381 3.234 1.00 2.09 C ATOM 132 OE1 GLU A 8 -12.194 -0.114 2.333 1.00 2.54 O ATOM 133 OE2 GLU A 8 -10.379 0.332 3.484 1.00 2.77 O ATOM 0 H GLU A 8 -12.768 0.961 4.426 1.00 0.63 H new ATOM 0 HA GLU A 8 -14.014 -0.832 6.434 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -13.077 -2.618 5.246 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -13.726 -1.563 4.006 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -10.804 -1.713 4.814 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -11.511 -2.511 3.423 1.00 1.04 H new ATOM 140 N LYS A 9 -10.791 -0.168 6.239 1.00 0.59 N ATOM 141 CA LYS A 9 -9.580 0.010 7.008 1.00 0.58 C ATOM 142 C LYS A 9 -9.247 -1.230 7.815 1.00 0.56 C ATOM 143 O LYS A 9 -8.349 -1.989 7.451 1.00 0.81 O ATOM 144 CB LYS A 9 -9.711 1.248 7.884 1.00 0.73 C ATOM 145 CG LYS A 9 -9.915 2.509 7.058 1.00 0.87 C ATOM 146 CD LYS A 9 -11.379 2.800 6.802 1.00 1.08 C ATOM 147 CE LYS A 9 -11.590 3.216 5.359 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.581 4.213 4.911 1.00 1.54 N ATOM 0 H LYS A 9 -10.647 -0.098 5.232 1.00 0.59 H new ATOM 0 HA LYS A 9 -8.744 0.161 6.325 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -10.551 1.122 8.567 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -8.816 1.356 8.496 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -9.464 3.356 7.575 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -9.396 2.404 6.105 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -11.976 1.916 7.023 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -11.721 3.591 7.469 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -11.539 2.336 4.717 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -12.589 3.636 5.246 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -10.995 4.819 4.174 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -10.290 4.800 5.719 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -9.751 3.718 4.526 1.00 1.54 H new ATOM 162 N GLU A 10 -9.969 -1.444 8.899 1.00 0.60 N ATOM 163 CA GLU A 10 -9.720 -2.623 9.730 1.00 0.56 C ATOM 164 C GLU A 10 -10.984 -3.286 10.266 1.00 0.84 C ATOM 165 O GLU A 10 -11.227 -3.321 11.473 1.00 1.40 O ATOM 166 CB GLU A 10 -8.809 -2.236 10.865 1.00 0.88 C ATOM 167 CG GLU A 10 -7.461 -1.816 10.348 1.00 1.68 C ATOM 168 CD GLU A 10 -6.365 -1.917 11.390 1.00 2.35 C ATOM 169 OE1 GLU A 10 -6.077 -3.045 11.840 1.00 2.78 O ATOM 170 OE2 GLU A 10 -5.797 -0.866 11.758 1.00 2.80 O ATOM 0 H GLU A 10 -10.719 -0.835 9.226 1.00 0.60 H new ATOM 0 HA GLU A 10 -9.251 -3.370 9.090 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -9.256 -1.420 11.434 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -8.695 -3.077 11.549 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -7.198 -2.437 9.492 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -7.520 -0.788 9.990 1.00 1.68 H new ATOM 177 N PRO A 11 -11.809 -3.801 9.354 1.00 1.07 N ATOM 178 CA PRO A 11 -13.069 -4.458 9.637 1.00 1.42 C ATOM 179 C PRO A 11 -13.095 -5.942 9.255 1.00 0.83 C ATOM 180 O PRO A 11 -13.241 -6.826 10.098 1.00 0.59 O ATOM 181 CB PRO A 11 -13.968 -3.710 8.662 1.00 2.13 C ATOM 182 CG PRO A 11 -13.046 -3.270 7.545 1.00 2.29 C ATOM 183 CD PRO A 11 -11.650 -3.711 7.921 1.00 1.67 C ATOM 0 HA PRO A 11 -13.325 -4.435 10.696 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -14.765 -4.352 8.287 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -14.446 -2.855 9.141 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -13.349 -3.716 6.598 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -13.087 -2.188 7.416 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -11.375 -4.664 7.469 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -10.889 -2.988 7.628 1.00 1.67 H new ATOM 191 N ILE A 12 -12.994 -6.169 7.945 1.00 0.86 N ATOM 192 CA ILE A 12 -13.042 -7.480 7.337 1.00 0.54 C ATOM 193 C ILE A 12 -12.160 -8.501 8.030 1.00 0.79 C ATOM 194 O ILE A 12 -11.114 -8.178 8.592 1.00 1.12 O ATOM 195 CB ILE A 12 -12.653 -7.411 5.842 1.00 0.51 C ATOM 196 CG1 ILE A 12 -12.123 -6.016 5.469 1.00 0.66 C ATOM 197 CG2 ILE A 12 -13.854 -7.761 4.978 1.00 0.49 C ATOM 198 CD1 ILE A 12 -11.469 -5.960 4.110 1.00 0.53 C ATOM 0 H ILE A 12 -12.873 -5.417 7.266 1.00 0.86 H new ATOM 0 HA ILE A 12 -14.075 -7.812 7.444 1.00 0.54 H new ATOM 0 HB ILE A 12 -11.856 -8.133 5.664 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -12.948 -5.304 5.495 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -11.403 -5.697 6.223 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.573 -7.710 3.926 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.191 -8.770 5.215 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -14.660 -7.054 5.172 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -11.120 -4.946 3.916 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.622 -6.646 4.085 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -12.192 -6.247 3.346 1.00 0.53 H new ATOM 210 N VAL A 13 -12.608 -9.745 7.960 1.00 1.03 N ATOM 211 CA VAL A 13 -11.896 -10.869 8.548 1.00 1.51 C ATOM 212 C VAL A 13 -12.001 -12.095 7.637 1.00 1.29 C ATOM 213 O VAL A 13 -11.630 -13.205 8.018 1.00 1.43 O ATOM 214 CB VAL A 13 -12.452 -11.207 9.948 1.00 2.06 C ATOM 215 CG1 VAL A 13 -13.825 -11.856 9.843 1.00 2.23 C ATOM 216 CG2 VAL A 13 -11.487 -12.102 10.714 1.00 3.06 C ATOM 0 H VAL A 13 -13.477 -10.004 7.493 1.00 1.03 H new ATOM 0 HA VAL A 13 -10.848 -10.587 8.653 1.00 1.51 H new ATOM 0 HB VAL A 13 -12.560 -10.275 10.502 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -14.196 -12.085 10.842 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -14.514 -11.172 9.348 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -13.749 -12.776 9.264 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -11.901 -12.326 11.697 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -11.337 -13.031 10.163 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -10.531 -11.591 10.831 1.00 3.06 H new ATOM 226 N GLY A 14 -12.512 -11.878 6.425 1.00 0.97 N ATOM 227 CA GLY A 14 -12.664 -12.964 5.470 1.00 0.77 C ATOM 228 C GLY A 14 -12.340 -12.550 4.044 1.00 0.71 C ATOM 229 O GLY A 14 -12.273 -13.393 3.149 1.00 1.03 O ATOM 0 H GLY A 14 -12.824 -10.967 6.088 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -12.013 -13.789 5.760 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -13.688 -13.336 5.511 1.00 0.77 H new ATOM 233 N ALA A 15 -12.135 -11.252 3.833 1.00 0.38 N ATOM 234 CA ALA A 15 -11.810 -10.730 2.508 1.00 0.34 C ATOM 235 C ALA A 15 -10.476 -11.290 2.017 1.00 0.32 C ATOM 236 O ALA A 15 -9.625 -11.676 2.818 1.00 0.36 O ATOM 237 CB ALA A 15 -11.754 -9.207 2.553 1.00 0.39 C ATOM 0 H ALA A 15 -12.188 -10.542 4.563 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.588 -11.041 1.811 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.511 -8.822 1.562 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -12.722 -8.816 2.867 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -10.989 -8.892 3.262 1.00 0.39 H new ATOM 243 N GLU A 16 -10.293 -11.317 0.698 1.00 0.33 N ATOM 244 CA GLU A 16 -9.051 -11.809 0.105 1.00 0.39 C ATOM 245 C GLU A 16 -7.874 -11.022 0.671 1.00 0.31 C ATOM 246 O GLU A 16 -8.031 -9.863 1.015 1.00 0.33 O ATOM 247 CB GLU A 16 -9.100 -11.681 -1.419 1.00 0.56 C ATOM 248 CG GLU A 16 -8.322 -12.768 -2.143 1.00 0.84 C ATOM 249 CD GLU A 16 -8.693 -12.876 -3.609 1.00 1.22 C ATOM 250 OE1 GLU A 16 -9.052 -11.841 -4.208 1.00 2.01 O ATOM 251 OE2 GLU A 16 -8.624 -13.996 -4.158 1.00 1.43 O ATOM 0 H GLU A 16 -10.988 -11.004 0.020 1.00 0.33 H new ATOM 0 HA GLU A 16 -8.927 -12.863 0.352 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -10.140 -11.711 -1.745 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -8.703 -10.708 -1.707 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -7.255 -12.564 -2.057 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -8.504 -13.726 -1.655 1.00 0.84 H new ATOM 258 N THR A 17 -6.708 -11.651 0.798 1.00 0.37 N ATOM 259 CA THR A 17 -5.547 -10.969 1.356 1.00 0.32 C ATOM 260 C THR A 17 -4.509 -10.664 0.290 1.00 0.26 C ATOM 261 O THR A 17 -4.151 -11.512 -0.539 1.00 0.29 O ATOM 262 CB THR A 17 -4.887 -11.763 2.503 1.00 0.41 C ATOM 263 OG1 THR A 17 -3.792 -12.539 1.999 1.00 0.54 O ATOM 264 CG2 THR A 17 -5.894 -12.681 3.181 1.00 0.51 C ATOM 0 H THR A 17 -6.544 -12.620 0.525 1.00 0.37 H new ATOM 0 HA THR A 17 -5.924 -10.032 1.765 1.00 0.32 H new ATOM 0 HB THR A 17 -4.518 -11.049 3.239 1.00 0.41 H new ATOM 0 HG1 THR A 17 -3.379 -13.038 2.734 1.00 0.54 H new ATOM 0 HG21 THR A 17 -5.403 -13.229 3.985 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.709 -12.086 3.592 1.00 0.51 H new ATOM 0 HG23 THR A 17 -6.292 -13.387 2.452 1.00 0.51 H new ATOM 272 N PHE A 18 -4.046 -9.426 0.320 1.00 0.27 N ATOM 273 CA PHE A 18 -3.061 -8.941 -0.621 1.00 0.25 C ATOM 274 C PHE A 18 -1.950 -8.197 0.109 1.00 0.29 C ATOM 275 O PHE A 18 -2.214 -7.316 0.928 1.00 0.59 O ATOM 276 CB PHE A 18 -3.718 -7.999 -1.627 1.00 0.32 C ATOM 277 CG PHE A 18 -4.620 -8.657 -2.632 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.663 -9.458 -2.204 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.421 -8.494 -3.992 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.493 -10.083 -3.113 1.00 0.35 C ATOM 281 CE2 PHE A 18 -5.249 -9.113 -4.907 1.00 0.46 C ATOM 282 CZ PHE A 18 -6.291 -9.840 -4.510 1.00 0.41 C ATOM 0 H PHE A 18 -4.346 -8.729 1.002 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.636 -9.797 -1.145 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.295 -7.254 -1.079 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -2.934 -7.463 -2.163 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -5.830 -9.596 -1.146 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.608 -7.875 -4.342 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -7.280 -10.743 -2.777 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -5.048 -9.006 -5.963 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.980 -10.244 -5.237 1.00 0.41 H new ATOM 292 N TYR A 19 -0.710 -8.550 -0.195 1.00 0.25 N ATOM 293 CA TYR A 19 0.440 -7.909 0.428 1.00 0.28 C ATOM 294 C TYR A 19 0.859 -6.673 -0.353 1.00 0.22 C ATOM 295 O TYR A 19 0.595 -6.561 -1.551 1.00 0.22 O ATOM 296 CB TYR A 19 1.612 -8.893 0.535 1.00 0.41 C ATOM 297 CG TYR A 19 2.972 -8.299 0.207 1.00 1.21 C ATOM 298 CD1 TYR A 19 3.326 -7.951 -1.097 1.00 1.64 C ATOM 299 CD2 TYR A 19 3.909 -8.103 1.211 1.00 1.92 C ATOM 300 CE1 TYR A 19 4.573 -7.426 -1.380 1.00 2.74 C ATOM 301 CE2 TYR A 19 5.155 -7.576 0.935 1.00 3.01 C ATOM 302 CZ TYR A 19 5.484 -7.241 -0.362 1.00 3.40 C ATOM 303 OH TYR A 19 6.726 -6.719 -0.640 1.00 4.52 O ATOM 0 H TYR A 19 -0.474 -9.277 -0.870 1.00 0.25 H new ATOM 0 HA TYR A 19 0.152 -7.599 1.433 1.00 0.28 H new ATOM 0 HB2 TYR A 19 1.641 -9.294 1.548 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.426 -9.732 -0.135 1.00 0.41 H new ATOM 0 HD1 TYR A 19 2.615 -8.094 -1.897 1.00 1.64 H new ATOM 0 HD2 TYR A 19 3.659 -8.368 2.228 1.00 1.92 H new ATOM 0 HE1 TYR A 19 4.833 -7.162 -2.395 1.00 2.74 H new ATOM 0 HE2 TYR A 19 5.869 -7.427 1.731 1.00 3.01 H new ATOM 0 HH TYR A 19 6.626 -5.821 -1.020 1.00 4.52 H new ATOM 313 N VAL A 20 1.534 -5.759 0.332 1.00 0.22 N ATOM 314 CA VAL A 20 2.012 -4.541 -0.295 1.00 0.22 C ATOM 315 C VAL A 20 3.187 -3.959 0.475 1.00 0.23 C ATOM 316 O VAL A 20 3.076 -3.668 1.666 1.00 0.26 O ATOM 317 CB VAL A 20 0.900 -3.492 -0.396 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.341 -3.471 -1.798 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.198 -3.772 0.613 1.00 0.93 C ATOM 0 H VAL A 20 1.761 -5.841 1.323 1.00 0.22 H new ATOM 0 HA VAL A 20 2.338 -4.804 -1.301 1.00 0.22 H new ATOM 0 HB VAL A 20 1.322 -2.513 -0.169 1.00 0.32 H new ATOM 0 HG11 VAL A 20 -0.449 -2.723 -1.863 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.135 -3.223 -2.503 1.00 0.87 H new ATOM 0 HG13 VAL A 20 -0.067 -4.452 -2.042 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -0.977 -3.015 0.523 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -0.625 -4.756 0.422 1.00 0.93 H new ATOM 0 HG23 VAL A 20 0.218 -3.747 1.620 1.00 0.93 H new ATOM 329 N ASP A 21 4.317 -3.799 -0.208 1.00 0.22 N ATOM 330 CA ASP A 21 5.510 -3.259 0.427 1.00 0.25 C ATOM 331 C ASP A 21 6.579 -2.889 -0.599 1.00 0.23 C ATOM 332 O ASP A 21 6.925 -3.687 -1.473 1.00 0.25 O ATOM 333 CB ASP A 21 6.075 -4.279 1.419 1.00 0.28 C ATOM 334 CG ASP A 21 7.438 -3.882 1.948 1.00 0.30 C ATOM 335 OD1 ASP A 21 7.581 -2.734 2.418 1.00 0.37 O ATOM 336 OD2 ASP A 21 8.363 -4.720 1.897 1.00 0.38 O ATOM 0 H ASP A 21 4.429 -4.034 -1.194 1.00 0.22 H new ATOM 0 HA ASP A 21 5.225 -2.349 0.954 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.383 -4.390 2.254 1.00 0.28 H new ATOM 0 HB3 ASP A 21 6.147 -5.252 0.933 1.00 0.28 H new ATOM 341 N GLY A 22 7.102 -1.674 -0.473 1.00 0.22 N ATOM 342 CA GLY A 22 8.136 -1.203 -1.371 1.00 0.24 C ATOM 343 C GLY A 22 9.166 -0.355 -0.650 1.00 0.35 C ATOM 344 O GLY A 22 8.836 0.355 0.300 1.00 0.42 O ATOM 0 H GLY A 22 6.824 -1.003 0.243 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.629 -2.056 -1.836 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.683 -0.620 -2.173 1.00 0.24 H new ATOM 348 N ALA A 23 10.413 -0.421 -1.102 1.00 0.39 N ATOM 349 CA ALA A 23 11.486 0.355 -0.491 1.00 0.49 C ATOM 350 C ALA A 23 12.004 1.401 -1.455 1.00 0.50 C ATOM 351 O ALA A 23 12.596 1.079 -2.480 1.00 0.49 O ATOM 352 CB ALA A 23 12.612 -0.562 -0.040 1.00 0.57 C ATOM 0 H ALA A 23 10.706 -1.002 -1.887 1.00 0.39 H new ATOM 0 HA ALA A 23 11.086 0.867 0.384 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.405 0.032 0.414 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.230 -1.275 0.690 1.00 0.57 H new ATOM 0 HB3 ALA A 23 13.009 -1.101 -0.900 1.00 0.57 H new ATOM 358 N ALA A 24 11.777 2.655 -1.102 1.00 0.53 N ATOM 359 CA ALA A 24 12.207 3.775 -1.910 1.00 0.55 C ATOM 360 C ALA A 24 12.772 4.868 -1.024 1.00 0.64 C ATOM 361 O ALA A 24 12.129 5.296 -0.064 1.00 0.80 O ATOM 362 CB ALA A 24 11.044 4.303 -2.732 1.00 0.49 C ATOM 0 H ALA A 24 11.289 2.921 -0.247 1.00 0.53 H new ATOM 0 HA ALA A 24 12.989 3.442 -2.592 1.00 0.55 H new ATOM 0 HB1 ALA A 24 11.379 5.146 -3.337 1.00 0.49 H new ATOM 0 HB2 ALA A 24 10.672 3.513 -3.385 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.246 4.629 -2.065 1.00 0.49 H new ATOM 368 N ASN A 25 13.976 5.312 -1.344 1.00 0.61 N ATOM 369 CA ASN A 25 14.630 6.353 -0.575 1.00 0.69 C ATOM 370 C ASN A 25 13.700 7.544 -0.381 1.00 0.69 C ATOM 371 O ASN A 25 13.351 8.230 -1.339 1.00 0.69 O ATOM 372 CB ASN A 25 15.907 6.805 -1.281 1.00 0.77 C ATOM 373 CG ASN A 25 17.110 6.800 -0.362 1.00 0.68 C ATOM 374 OD1 ASN A 25 18.010 5.971 -0.498 1.00 0.67 O ATOM 375 ND2 ASN A 25 17.129 7.731 0.585 1.00 1.09 N ATOM 0 H ASN A 25 14.520 4.965 -2.134 1.00 0.61 H new ATOM 0 HA ASN A 25 14.885 5.946 0.404 1.00 0.69 H new ATOM 0 HB2 ASN A 25 16.100 6.150 -2.131 1.00 0.77 H new ATOM 0 HB3 ASN A 25 15.762 7.809 -1.679 1.00 0.77 H new ATOM 0 HD21 ASN A 25 17.912 7.779 1.237 1.00 1.09 H new ATOM 0 HD22 ASN A 25 16.361 8.398 0.660 1.00 1.09 H new ATOM 382 N ARG A 26 13.298 7.778 0.861 1.00 0.73 N ATOM 383 CA ARG A 26 12.402 8.881 1.187 1.00 0.77 C ATOM 384 C ARG A 26 13.104 10.225 1.073 1.00 0.82 C ATOM 385 O ARG A 26 12.560 11.182 0.520 1.00 0.79 O ATOM 386 CB ARG A 26 11.879 8.728 2.603 1.00 0.87 C ATOM 387 CG ARG A 26 10.866 9.791 2.967 1.00 0.94 C ATOM 388 CD ARG A 26 10.328 9.591 4.373 1.00 1.30 C ATOM 389 NE ARG A 26 9.775 10.823 4.929 1.00 1.57 N ATOM 390 CZ ARG A 26 9.418 10.962 6.202 1.00 2.15 C ATOM 391 NH1 ARG A 26 9.564 9.953 7.050 1.00 2.86 N ATOM 392 NH2 ARG A 26 8.917 12.113 6.628 1.00 2.52 N ATOM 0 H ARG A 26 13.580 7.216 1.664 1.00 0.73 H new ATOM 0 HA ARG A 26 11.579 8.851 0.473 1.00 0.77 H new ATOM 0 HB2 ARG A 26 11.423 7.744 2.714 1.00 0.87 H new ATOM 0 HB3 ARG A 26 12.714 8.773 3.302 1.00 0.87 H new ATOM 0 HG2 ARG A 26 11.327 10.776 2.890 1.00 0.94 H new ATOM 0 HG3 ARG A 26 10.041 9.768 2.254 1.00 0.94 H new ATOM 0 HD2 ARG A 26 9.556 8.821 4.360 1.00 1.30 H new ATOM 0 HD3 ARG A 26 11.128 9.229 5.019 1.00 1.30 H new ATOM 0 HE ARG A 26 9.656 11.622 4.306 1.00 1.57 H new ATOM 0 HH11 ARG A 26 9.951 9.067 6.726 1.00 2.86 H new ATOM 0 HH12 ARG A 26 9.289 10.063 8.026 1.00 2.86 H new ATOM 0 HH21 ARG A 26 8.805 12.892 5.979 1.00 2.52 H new ATOM 0 HH22 ARG A 26 8.643 12.220 7.605 1.00 2.52 H new ATOM 406 N GLU A 27 14.312 10.286 1.618 1.00 0.93 N ATOM 407 CA GLU A 27 15.117 11.501 1.608 1.00 1.02 C ATOM 408 C GLU A 27 15.186 12.100 0.212 1.00 0.90 C ATOM 409 O GLU A 27 15.487 13.282 0.040 1.00 0.94 O ATOM 410 CB GLU A 27 16.521 11.171 2.105 1.00 1.15 C ATOM 411 CG GLU A 27 17.508 12.322 1.992 1.00 1.36 C ATOM 412 CD GLU A 27 18.434 12.419 3.191 1.00 1.99 C ATOM 413 OE1 GLU A 27 18.496 11.447 3.973 1.00 2.44 O ATOM 414 OE2 GLU A 27 19.096 13.466 3.345 1.00 2.44 O ATOM 0 H GLU A 27 14.761 9.495 2.079 1.00 0.93 H new ATOM 0 HA GLU A 27 14.653 12.237 2.265 1.00 1.02 H new ATOM 0 HB2 GLU A 27 16.461 10.859 3.148 1.00 1.15 H new ATOM 0 HB3 GLU A 27 16.904 10.321 1.540 1.00 1.15 H new ATOM 0 HG2 GLU A 27 18.103 12.197 1.087 1.00 1.36 H new ATOM 0 HG3 GLU A 27 16.959 13.257 1.886 1.00 1.36 H new ATOM 421 N THR A 28 14.917 11.269 -0.782 1.00 0.79 N ATOM 422 CA THR A 28 14.959 11.697 -2.167 1.00 0.69 C ATOM 423 C THR A 28 13.695 11.271 -2.913 1.00 0.56 C ATOM 424 O THR A 28 13.542 11.543 -4.105 1.00 0.49 O ATOM 425 CB THR A 28 16.194 11.106 -2.864 1.00 0.75 C ATOM 426 OG1 THR A 28 17.329 11.187 -1.993 1.00 1.41 O ATOM 427 CG2 THR A 28 16.495 11.839 -4.158 1.00 1.35 C ATOM 0 H THR A 28 14.666 10.289 -0.652 1.00 0.79 H new ATOM 0 HA THR A 28 15.018 12.785 -2.182 1.00 0.69 H new ATOM 0 HB THR A 28 15.983 10.063 -3.100 1.00 0.75 H new ATOM 0 HG1 THR A 28 18.113 10.807 -2.441 1.00 1.41 H new ATOM 0 HG21 THR A 28 17.374 11.399 -4.629 1.00 1.35 H new ATOM 0 HG22 THR A 28 15.642 11.754 -4.831 1.00 1.35 H new ATOM 0 HG23 THR A 28 16.686 12.891 -3.944 1.00 1.35 H new ATOM 435 N LYS A 29 12.794 10.601 -2.197 1.00 0.54 N ATOM 436 CA LYS A 29 11.538 10.126 -2.774 1.00 0.46 C ATOM 437 C LYS A 29 11.788 9.381 -4.082 1.00 0.37 C ATOM 438 O LYS A 29 11.615 9.939 -5.167 1.00 0.44 O ATOM 439 CB LYS A 29 10.574 11.291 -3.008 1.00 0.51 C ATOM 440 CG LYS A 29 10.567 12.316 -1.884 1.00 0.67 C ATOM 441 CD LYS A 29 11.168 13.638 -2.332 1.00 1.02 C ATOM 442 CE LYS A 29 10.959 14.729 -1.294 1.00 1.39 C ATOM 443 NZ LYS A 29 9.659 15.431 -1.483 1.00 1.56 N ATOM 0 H LYS A 29 12.912 10.374 -1.210 1.00 0.54 H new ATOM 0 HA LYS A 29 11.084 9.435 -2.063 1.00 0.46 H new ATOM 0 HB2 LYS A 29 10.840 11.789 -3.940 1.00 0.51 H new ATOM 0 HB3 LYS A 29 9.566 10.897 -3.134 1.00 0.51 H new ATOM 0 HG2 LYS A 29 9.544 12.477 -1.543 1.00 0.67 H new ATOM 0 HG3 LYS A 29 11.129 11.929 -1.034 1.00 0.67 H new ATOM 0 HD2 LYS A 29 12.235 13.510 -2.516 1.00 1.02 H new ATOM 0 HD3 LYS A 29 10.716 13.942 -3.276 1.00 1.02 H new ATOM 0 HE2 LYS A 29 10.995 14.293 -0.296 1.00 1.39 H new ATOM 0 HE3 LYS A 29 11.774 15.450 -1.356 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 9.553 16.167 -0.756 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 9.635 15.869 -2.426 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 8.880 14.747 -1.399 1.00 1.56 H new ATOM 457 N LEU A 30 12.201 8.121 -3.965 1.00 0.43 N ATOM 458 CA LEU A 30 12.486 7.290 -5.140 1.00 0.37 C ATOM 459 C LEU A 30 12.986 5.911 -4.734 1.00 0.38 C ATOM 460 O LEU A 30 13.725 5.774 -3.764 1.00 0.44 O ATOM 461 CB LEU A 30 13.534 7.969 -6.029 1.00 0.42 C ATOM 462 CG LEU A 30 14.223 7.055 -7.047 1.00 0.48 C ATOM 463 CD1 LEU A 30 14.614 7.838 -8.290 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.445 6.391 -6.424 1.00 0.68 C ATOM 0 H LEU A 30 12.347 7.651 -3.072 1.00 0.43 H new ATOM 0 HA LEU A 30 11.555 7.172 -5.695 1.00 0.37 H new ATOM 0 HB2 LEU A 30 13.055 8.787 -6.567 1.00 0.42 H new ATOM 0 HB3 LEU A 30 14.297 8.412 -5.389 1.00 0.42 H new ATOM 0 HG LEU A 30 13.520 6.276 -7.342 1.00 0.48 H new ATOM 0 HD11 LEU A 30 15.102 7.172 -9.001 1.00 0.52 H new ATOM 0 HD12 LEU A 30 13.721 8.265 -8.747 1.00 0.52 H new ATOM 0 HD13 LEU A 30 15.300 8.639 -8.015 1.00 0.52 H new ATOM 0 HD21 LEU A 30 15.923 5.745 -7.160 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.150 7.157 -6.101 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.137 5.796 -5.565 1.00 0.68 H new ATOM 476 N GLY A 31 12.596 4.894 -5.498 1.00 0.34 N ATOM 477 CA GLY A 31 13.034 3.543 -5.205 1.00 0.37 C ATOM 478 C GLY A 31 12.143 2.488 -5.828 1.00 0.30 C ATOM 479 O GLY A 31 11.689 2.639 -6.960 1.00 0.27 O ATOM 0 H GLY A 31 11.987 4.982 -6.311 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.054 3.410 -5.567 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.058 3.400 -4.125 1.00 0.37 H new ATOM 483 N LYS A 32 11.907 1.412 -5.084 1.00 0.30 N ATOM 484 CA LYS A 32 11.080 0.308 -5.562 1.00 0.24 C ATOM 485 C LYS A 32 9.820 0.136 -4.722 1.00 0.19 C ATOM 486 O LYS A 32 9.767 0.543 -3.560 1.00 0.23 O ATOM 487 CB LYS A 32 11.869 -1.005 -5.534 1.00 0.28 C ATOM 488 CG LYS A 32 13.362 -0.835 -5.275 1.00 0.56 C ATOM 489 CD LYS A 32 14.067 -0.138 -6.432 1.00 0.95 C ATOM 490 CE LYS A 32 14.568 -1.129 -7.475 1.00 1.44 C ATOM 491 NZ LYS A 32 13.705 -2.340 -7.563 1.00 2.12 N ATOM 0 H LYS A 32 12.279 1.280 -4.143 1.00 0.30 H new ATOM 0 HA LYS A 32 10.790 0.551 -6.584 1.00 0.24 H new ATOM 0 HB2 LYS A 32 11.450 -1.651 -4.763 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.733 -1.517 -6.487 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.508 -0.259 -4.362 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.815 -1.813 -5.111 1.00 0.56 H new ATOM 0 HD2 LYS A 32 13.382 0.568 -6.902 1.00 0.95 H new ATOM 0 HD3 LYS A 32 14.907 0.441 -6.049 1.00 0.95 H new ATOM 0 HE2 LYS A 32 14.606 -0.641 -8.449 1.00 1.44 H new ATOM 0 HE3 LYS A 32 15.587 -1.428 -7.229 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 14.085 -2.985 -8.285 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 13.689 -2.822 -6.642 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 12.738 -2.059 -7.824 1.00 2.12 H new ATOM 505 N ALA A 33 8.815 -0.500 -5.319 1.00 0.16 N ATOM 506 CA ALA A 33 7.552 -0.767 -4.642 1.00 0.14 C ATOM 507 C ALA A 33 6.750 -1.813 -5.405 1.00 0.14 C ATOM 508 O ALA A 33 6.379 -1.602 -6.559 1.00 0.15 O ATOM 509 CB ALA A 33 6.744 0.511 -4.486 1.00 0.16 C ATOM 0 H ALA A 33 8.854 -0.842 -6.279 1.00 0.16 H new ATOM 0 HA ALA A 33 7.773 -1.155 -3.648 1.00 0.14 H new ATOM 0 HB1 ALA A 33 5.805 0.288 -3.978 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.313 1.231 -3.898 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.534 0.931 -5.470 1.00 0.16 H new ATOM 515 N GLY A 34 6.486 -2.942 -4.760 1.00 0.17 N ATOM 516 CA GLY A 34 5.733 -3.997 -5.408 1.00 0.20 C ATOM 517 C GLY A 34 4.643 -4.560 -4.534 1.00 0.25 C ATOM 518 O GLY A 34 4.298 -3.981 -3.505 1.00 0.35 O ATOM 0 H GLY A 34 6.778 -3.145 -3.804 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.292 -3.610 -6.327 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.413 -4.799 -5.694 1.00 0.20 H new ATOM 522 N TYR A 35 4.100 -5.695 -4.947 1.00 0.20 N ATOM 523 CA TYR A 35 3.036 -6.338 -4.189 1.00 0.26 C ATOM 524 C TYR A 35 2.874 -7.794 -4.590 1.00 0.17 C ATOM 525 O TYR A 35 3.321 -8.215 -5.656 1.00 0.17 O ATOM 526 CB TYR A 35 1.709 -5.593 -4.384 1.00 0.40 C ATOM 527 CG TYR A 35 0.694 -6.341 -5.229 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.678 -6.204 -6.609 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.245 -7.183 -4.644 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.242 -6.881 -7.383 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.168 -7.866 -5.413 1.00 0.39 C ATOM 532 CZ TYR A 35 -1.162 -7.711 -6.781 1.00 0.53 C ATOM 533 OH TYR A 35 -2.078 -8.389 -7.551 1.00 0.66 O ATOM 0 H TYR A 35 4.376 -6.188 -5.797 1.00 0.20 H new ATOM 0 HA TYR A 35 3.314 -6.302 -3.136 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.272 -5.390 -3.406 1.00 0.40 H new ATOM 0 HB3 TYR A 35 1.912 -4.628 -4.849 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.398 -5.556 -7.086 1.00 0.50 H new ATOM 0 HD2 TYR A 35 -0.253 -7.305 -3.571 1.00 0.31 H new ATOM 0 HE1 TYR A 35 -0.241 -6.761 -8.456 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.890 -8.518 -4.943 1.00 0.39 H new ATOM 0 HH TYR A 35 -2.035 -8.063 -8.474 1.00 0.66 H new ATOM 543 N VAL A 36 2.200 -8.545 -3.733 1.00 0.14 N ATOM 544 CA VAL A 36 1.935 -9.945 -3.990 1.00 0.17 C ATOM 545 C VAL A 36 0.519 -10.304 -3.554 1.00 0.22 C ATOM 546 O VAL A 36 0.128 -10.056 -2.415 1.00 0.51 O ATOM 547 CB VAL A 36 2.968 -10.882 -3.310 1.00 0.32 C ATOM 548 CG1 VAL A 36 4.376 -10.326 -3.452 1.00 1.38 C ATOM 549 CG2 VAL A 36 2.639 -11.126 -1.844 1.00 1.13 C ATOM 0 H VAL A 36 1.826 -8.202 -2.848 1.00 0.14 H new ATOM 0 HA VAL A 36 2.030 -10.097 -5.065 1.00 0.17 H new ATOM 0 HB VAL A 36 2.916 -11.843 -3.822 1.00 0.32 H new ATOM 0 HG11 VAL A 36 5.084 -10.999 -2.968 1.00 1.38 H new ATOM 0 HG12 VAL A 36 4.626 -10.235 -4.509 1.00 1.38 H new ATOM 0 HG13 VAL A 36 4.429 -9.344 -2.981 1.00 1.38 H new ATOM 0 HG21 VAL A 36 3.388 -11.787 -1.408 1.00 1.13 H new ATOM 0 HG22 VAL A 36 2.637 -10.177 -1.309 1.00 1.13 H new ATOM 0 HG23 VAL A 36 1.656 -11.589 -1.764 1.00 1.13 H new ATOM 559 N THR A 37 -0.257 -10.874 -4.469 1.00 0.28 N ATOM 560 CA THR A 37 -1.631 -11.248 -4.144 1.00 0.34 C ATOM 561 C THR A 37 -1.726 -12.710 -3.797 1.00 0.26 C ATOM 562 O THR A 37 -0.854 -13.500 -4.178 1.00 0.26 O ATOM 563 CB THR A 37 -2.627 -10.987 -5.285 1.00 0.55 C ATOM 564 OG1 THR A 37 -3.925 -11.429 -4.883 1.00 1.41 O ATOM 565 CG2 THR A 37 -2.233 -11.728 -6.542 1.00 0.88 C ATOM 0 H THR A 37 0.033 -11.085 -5.424 1.00 0.28 H new ATOM 0 HA THR A 37 -1.896 -10.618 -3.295 1.00 0.34 H new ATOM 0 HB THR A 37 -2.627 -9.918 -5.497 1.00 0.55 H new ATOM 0 HG1 THR A 37 -4.391 -10.700 -4.424 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.959 -11.521 -7.329 1.00 0.88 H new ATOM 0 HG22 THR A 37 -1.245 -11.399 -6.864 1.00 0.88 H new ATOM 0 HG23 THR A 37 -2.211 -12.799 -6.341 1.00 0.88 H new ATOM 573 N ASN A 38 -2.807 -13.065 -3.096 1.00 0.26 N ATOM 574 CA ASN A 38 -3.044 -14.452 -2.706 1.00 0.26 C ATOM 575 C ASN A 38 -3.176 -15.365 -3.931 1.00 0.31 C ATOM 576 O ASN A 38 -3.405 -16.567 -3.791 1.00 0.40 O ATOM 577 CB ASN A 38 -4.303 -14.554 -1.843 1.00 0.32 C ATOM 578 CG ASN A 38 -5.577 -14.546 -2.667 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.503 -15.313 -2.405 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.628 -13.678 -3.670 1.00 0.44 N ATOM 0 H ASN A 38 -3.528 -12.411 -2.789 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.182 -14.784 -2.127 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.262 -15.470 -1.253 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.325 -13.722 -1.139 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.459 -13.628 -4.260 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -4.836 -13.061 -3.851 1.00 0.44 H new ATOM 587 N ARG A 39 -3.022 -14.794 -5.124 1.00 0.32 N ATOM 588 CA ARG A 39 -3.114 -15.561 -6.362 1.00 0.43 C ATOM 589 C ARG A 39 -1.723 -15.943 -6.840 1.00 0.43 C ATOM 590 O ARG A 39 -1.556 -16.840 -7.666 1.00 0.65 O ATOM 591 CB ARG A 39 -3.817 -14.742 -7.446 1.00 0.51 C ATOM 592 CG ARG A 39 -4.974 -13.905 -6.924 1.00 0.55 C ATOM 593 CD ARG A 39 -5.381 -12.833 -7.921 1.00 0.61 C ATOM 594 NE ARG A 39 -6.804 -12.513 -7.831 1.00 1.05 N ATOM 595 CZ ARG A 39 -7.683 -12.783 -8.791 1.00 1.22 C ATOM 596 NH1 ARG A 39 -7.286 -13.372 -9.911 1.00 1.88 N ATOM 597 NH2 ARG A 39 -8.960 -12.467 -8.629 1.00 1.58 N ATOM 0 H ARG A 39 -2.833 -13.801 -5.258 1.00 0.32 H new ATOM 0 HA ARG A 39 -3.693 -16.464 -6.167 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -3.089 -14.084 -7.921 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -4.187 -15.418 -8.217 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -5.827 -14.551 -6.715 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -4.690 -13.437 -5.981 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -4.795 -11.931 -7.743 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -5.149 -13.170 -8.931 1.00 0.61 H new ATOM 0 HE ARG A 39 -7.142 -12.057 -6.984 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -6.304 -13.619 -10.037 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -7.962 -13.578 -10.646 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -9.269 -12.016 -7.767 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -9.634 -12.674 -9.366 1.00 1.58 H new ATOM 611 N GLY A 40 -0.732 -15.234 -6.319 1.00 0.37 N ATOM 612 CA GLY A 40 0.641 -15.475 -6.695 1.00 0.38 C ATOM 613 C GLY A 40 1.142 -14.424 -7.659 1.00 0.33 C ATOM 614 O GLY A 40 1.825 -14.740 -8.633 1.00 0.37 O ATOM 0 H GLY A 40 -0.860 -14.488 -5.635 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.268 -15.481 -5.803 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.727 -16.461 -7.152 1.00 0.38 H new ATOM 618 N ARG A 41 0.800 -13.164 -7.389 1.00 0.28 N ATOM 619 CA ARG A 41 1.232 -12.067 -8.259 1.00 0.25 C ATOM 620 C ARG A 41 2.377 -11.296 -7.625 1.00 0.26 C ATOM 621 O ARG A 41 2.455 -11.203 -6.405 1.00 0.54 O ATOM 622 CB ARG A 41 0.077 -11.107 -8.557 1.00 0.29 C ATOM 623 CG ARG A 41 0.505 -9.788 -9.190 1.00 0.29 C ATOM 624 CD ARG A 41 -0.242 -9.531 -10.490 1.00 0.40 C ATOM 625 NE ARG A 41 0.329 -10.278 -11.608 1.00 0.97 N ATOM 626 CZ ARG A 41 -0.329 -11.219 -12.280 1.00 1.06 C ATOM 627 NH1 ARG A 41 -1.577 -11.523 -11.952 1.00 1.54 N ATOM 628 NH2 ARG A 41 0.262 -11.856 -13.282 1.00 1.61 N ATOM 0 H ARG A 41 0.235 -12.879 -6.589 1.00 0.28 H new ATOM 0 HA ARG A 41 1.571 -12.510 -9.196 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.630 -11.603 -9.222 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.453 -10.896 -7.628 1.00 0.29 H new ATOM 0 HG2 ARG A 41 0.319 -8.971 -8.493 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.578 -9.805 -9.382 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.289 -9.807 -10.367 1.00 0.40 H new ATOM 0 HD3 ARG A 41 -0.218 -8.465 -10.717 1.00 0.40 H new ATOM 0 HE ARG A 41 1.286 -10.066 -11.889 1.00 0.97 H new ATOM 0 HH11 ARG A 41 -2.035 -11.035 -11.183 1.00 1.54 H new ATOM 0 HH12 ARG A 41 -2.079 -12.245 -12.469 1.00 1.54 H new ATOM 0 HH21 ARG A 41 1.222 -11.625 -13.538 1.00 1.61 H new ATOM 0 HH22 ARG A 41 -0.243 -12.577 -13.797 1.00 1.61 H new ATOM 642 N GLN A 42 3.254 -10.736 -8.458 1.00 0.26 N ATOM 643 CA GLN A 42 4.388 -9.961 -7.968 1.00 0.27 C ATOM 644 C GLN A 42 4.752 -8.842 -8.942 1.00 0.28 C ATOM 645 O GLN A 42 5.129 -9.101 -10.086 1.00 0.32 O ATOM 646 CB GLN A 42 5.598 -10.872 -7.749 1.00 0.34 C ATOM 647 CG GLN A 42 6.445 -10.480 -6.550 1.00 0.76 C ATOM 648 CD GLN A 42 6.763 -11.660 -5.650 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.903 -11.841 -5.225 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.750 -12.466 -5.354 1.00 1.37 N ATOM 0 H GLN A 42 3.199 -10.806 -9.474 1.00 0.26 H new ATOM 0 HA GLN A 42 4.101 -9.510 -7.018 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.252 -11.897 -7.619 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.220 -10.857 -8.644 1.00 0.34 H new ATOM 0 HG2 GLN A 42 7.376 -10.032 -6.898 1.00 0.76 H new ATOM 0 HG3 GLN A 42 5.921 -9.718 -5.973 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.821 -12.276 -5.730 1.00 1.37 H new ATOM 0 HE22 GLN A 42 5.901 -13.275 -4.751 1.00 1.37 H new ATOM 659 N LYS A 43 4.653 -7.598 -8.476 1.00 0.33 N ATOM 660 CA LYS A 43 4.989 -6.440 -9.303 1.00 0.38 C ATOM 661 C LYS A 43 6.033 -5.577 -8.616 1.00 0.27 C ATOM 662 O LYS A 43 6.338 -5.777 -7.440 1.00 0.20 O ATOM 663 CB LYS A 43 3.755 -5.582 -9.600 1.00 0.53 C ATOM 664 CG LYS A 43 2.440 -6.325 -9.498 1.00 0.36 C ATOM 665 CD LYS A 43 2.233 -7.246 -10.688 1.00 0.39 C ATOM 666 CE LYS A 43 1.588 -6.512 -11.853 1.00 0.57 C ATOM 667 NZ LYS A 43 2.000 -7.083 -13.166 1.00 1.77 N ATOM 0 H LYS A 43 4.343 -7.366 -7.532 1.00 0.33 H new ATOM 0 HA LYS A 43 5.386 -6.824 -10.243 1.00 0.38 H new ATOM 0 HB2 LYS A 43 3.738 -4.740 -8.908 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.848 -5.168 -10.604 1.00 0.53 H new ATOM 0 HG2 LYS A 43 2.419 -6.907 -8.577 1.00 0.36 H new ATOM 0 HG3 LYS A 43 1.619 -5.610 -9.442 1.00 0.36 H new ATOM 0 HD2 LYS A 43 3.192 -7.658 -11.002 1.00 0.39 H new ATOM 0 HD3 LYS A 43 1.605 -8.087 -10.394 1.00 0.39 H new ATOM 0 HE2 LYS A 43 0.503 -6.564 -11.759 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.861 -5.458 -11.814 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 1.539 -6.555 -13.934 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 3.033 -7.011 -13.267 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 1.717 -8.082 -13.214 1.00 1.77 H new ATOM 681 N VAL A 44 6.555 -4.607 -9.365 1.00 0.34 N ATOM 682 CA VAL A 44 7.558 -3.675 -8.858 1.00 0.28 C ATOM 683 C VAL A 44 7.452 -2.338 -9.594 1.00 0.32 C ATOM 684 O VAL A 44 7.234 -2.306 -10.805 1.00 0.46 O ATOM 685 CB VAL A 44 8.991 -4.235 -9.016 1.00 0.37 C ATOM 686 CG1 VAL A 44 10.028 -3.132 -8.860 1.00 1.34 C ATOM 687 CG2 VAL A 44 9.244 -5.353 -8.017 1.00 1.47 C ATOM 0 H VAL A 44 6.295 -4.446 -10.338 1.00 0.34 H new ATOM 0 HA VAL A 44 7.364 -3.531 -7.795 1.00 0.28 H new ATOM 0 HB VAL A 44 9.083 -4.645 -10.022 1.00 0.37 H new ATOM 0 HG11 VAL A 44 11.027 -3.553 -8.976 1.00 1.34 H new ATOM 0 HG12 VAL A 44 9.865 -2.369 -9.621 1.00 1.34 H new ATOM 0 HG13 VAL A 44 9.936 -2.683 -7.871 1.00 1.34 H new ATOM 0 HG21 VAL A 44 10.258 -5.733 -8.145 1.00 1.47 H new ATOM 0 HG22 VAL A 44 9.126 -4.969 -7.004 1.00 1.47 H new ATOM 0 HG23 VAL A 44 8.530 -6.160 -8.185 1.00 1.47 H new ATOM 697 N VAL A 45 7.598 -1.236 -8.858 1.00 0.21 N ATOM 698 CA VAL A 45 7.507 0.097 -9.451 1.00 0.26 C ATOM 699 C VAL A 45 8.512 1.059 -8.828 1.00 0.23 C ATOM 700 O VAL A 45 9.103 0.770 -7.789 1.00 0.27 O ATOM 701 CB VAL A 45 6.091 0.693 -9.293 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.035 -0.283 -9.788 1.00 0.50 C ATOM 703 CG2 VAL A 45 5.830 1.080 -7.844 1.00 0.33 C ATOM 0 H VAL A 45 7.779 -1.240 -7.854 1.00 0.21 H new ATOM 0 HA VAL A 45 7.733 -0.024 -10.510 1.00 0.26 H new ATOM 0 HB VAL A 45 6.032 1.594 -9.903 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.046 0.159 -9.667 1.00 0.50 H new ATOM 0 HG12 VAL A 45 5.208 -0.502 -10.842 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.093 -1.206 -9.211 1.00 0.50 H new ATOM 0 HG21 VAL A 45 4.827 1.498 -7.754 1.00 0.33 H new ATOM 0 HG22 VAL A 45 5.913 0.197 -7.211 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.562 1.823 -7.528 1.00 0.33 H new ATOM 713 N THR A 46 8.686 2.210 -9.468 1.00 0.29 N ATOM 714 CA THR A 46 9.605 3.228 -8.978 1.00 0.27 C ATOM 715 C THR A 46 8.839 4.406 -8.391 1.00 0.26 C ATOM 716 O THR A 46 7.828 4.838 -8.943 1.00 0.31 O ATOM 717 CB THR A 46 10.541 3.739 -10.086 1.00 0.33 C ATOM 718 OG1 THR A 46 9.817 4.578 -10.992 1.00 0.39 O ATOM 719 CG2 THR A 46 11.164 2.580 -10.851 1.00 0.39 C ATOM 0 H THR A 46 8.201 2.461 -10.329 1.00 0.29 H new ATOM 0 HA THR A 46 10.211 2.759 -8.203 1.00 0.27 H new ATOM 0 HB THR A 46 11.339 4.314 -9.616 1.00 0.33 H new ATOM 0 HG1 THR A 46 10.421 4.900 -11.693 1.00 0.39 H new ATOM 0 HG21 THR A 46 11.821 2.969 -11.629 1.00 0.39 H new ATOM 0 HG22 THR A 46 11.741 1.959 -10.165 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.377 1.980 -11.308 1.00 0.39 H new ATOM 727 N LEU A 47 9.318 4.909 -7.260 1.00 0.22 N ATOM 728 CA LEU A 47 8.665 6.028 -6.585 1.00 0.24 C ATOM 729 C LEU A 47 9.185 7.375 -7.077 1.00 0.29 C ATOM 730 O LEU A 47 10.372 7.539 -7.355 1.00 0.36 O ATOM 731 CB LEU A 47 8.852 5.919 -5.069 1.00 0.35 C ATOM 732 CG LEU A 47 7.987 4.859 -4.383 1.00 0.52 C ATOM 733 CD1 LEU A 47 6.527 5.013 -4.782 1.00 0.74 C ATOM 734 CD2 LEU A 47 8.488 3.464 -4.719 1.00 1.31 C ATOM 0 H LEU A 47 10.154 4.562 -6.790 1.00 0.22 H new ATOM 0 HA LEU A 47 7.603 5.974 -6.825 1.00 0.24 H new ATOM 0 HB2 LEU A 47 9.900 5.700 -4.863 1.00 0.35 H new ATOM 0 HB3 LEU A 47 8.635 6.889 -4.621 1.00 0.35 H new ATOM 0 HG LEU A 47 8.062 5.003 -3.305 1.00 0.52 H new ATOM 0 HD11 LEU A 47 5.931 4.249 -4.283 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.172 6.001 -4.488 1.00 0.74 H new ATOM 0 HD13 LEU A 47 6.431 4.900 -5.862 1.00 0.74 H new ATOM 0 HD21 LEU A 47 7.861 2.723 -4.223 1.00 1.31 H new ATOM 0 HD22 LEU A 47 8.445 3.312 -5.797 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.518 3.355 -4.378 1.00 1.31 H new ATOM 746 N THR A 48 8.272 8.338 -7.168 1.00 0.29 N ATOM 747 CA THR A 48 8.605 9.687 -7.607 1.00 0.38 C ATOM 748 C THR A 48 7.859 10.715 -6.763 1.00 0.37 C ATOM 749 O THR A 48 6.637 10.832 -6.853 1.00 0.37 O ATOM 750 CB THR A 48 8.251 9.905 -9.090 1.00 0.46 C ATOM 751 OG1 THR A 48 7.264 8.953 -9.505 1.00 0.52 O ATOM 752 CG2 THR A 48 9.487 9.773 -9.966 1.00 0.60 C ATOM 0 H THR A 48 7.287 8.205 -6.941 1.00 0.29 H new ATOM 0 HA THR A 48 9.681 9.812 -7.484 1.00 0.38 H new ATOM 0 HB THR A 48 7.852 10.913 -9.200 1.00 0.46 H new ATOM 0 HG1 THR A 48 7.044 9.100 -10.449 1.00 0.52 H new ATOM 0 HG21 THR A 48 9.212 9.931 -11.009 1.00 0.60 H new ATOM 0 HG22 THR A 48 10.225 10.518 -9.668 1.00 0.60 H new ATOM 0 HG23 THR A 48 9.911 8.776 -9.849 1.00 0.60 H new ATOM 760 N ASP A 49 8.601 11.446 -5.935 1.00 0.40 N ATOM 761 CA ASP A 49 8.012 12.455 -5.060 1.00 0.42 C ATOM 762 C ASP A 49 7.083 11.803 -4.037 1.00 0.39 C ATOM 763 O ASP A 49 6.140 12.428 -3.549 1.00 0.48 O ATOM 764 CB ASP A 49 7.245 13.500 -5.876 1.00 0.45 C ATOM 765 CG ASP A 49 7.397 14.901 -5.315 1.00 1.01 C ATOM 766 OD1 ASP A 49 6.686 15.231 -4.342 1.00 1.86 O ATOM 767 OD2 ASP A 49 8.228 15.667 -5.845 1.00 1.01 O ATOM 0 H ASP A 49 9.614 11.358 -5.852 1.00 0.40 H new ATOM 0 HA ASP A 49 8.822 12.955 -4.529 1.00 0.42 H new ATOM 0 HB2 ASP A 49 7.600 13.484 -6.906 1.00 0.45 H new ATOM 0 HB3 ASP A 49 6.188 13.234 -5.899 1.00 0.45 H new ATOM 772 N THR A 50 7.361 10.541 -3.719 1.00 0.33 N ATOM 773 CA THR A 50 6.560 9.791 -2.756 1.00 0.30 C ATOM 774 C THR A 50 7.336 9.556 -1.463 1.00 0.35 C ATOM 775 O THR A 50 8.513 9.196 -1.492 1.00 0.45 O ATOM 776 CB THR A 50 6.126 8.428 -3.325 1.00 0.25 C ATOM 777 OG1 THR A 50 7.108 7.434 -3.014 1.00 0.73 O ATOM 778 CG2 THR A 50 5.933 8.503 -4.833 1.00 0.56 C ATOM 0 H THR A 50 8.139 10.015 -4.117 1.00 0.33 H new ATOM 0 HA THR A 50 5.674 10.392 -2.548 1.00 0.30 H new ATOM 0 HB THR A 50 5.174 8.156 -2.868 1.00 0.25 H new ATOM 0 HG1 THR A 50 6.673 6.666 -2.588 1.00 0.73 H new ATOM 0 HG21 THR A 50 5.627 7.527 -5.210 1.00 0.56 H new ATOM 0 HG22 THR A 50 5.164 9.239 -5.065 1.00 0.56 H new ATOM 0 HG23 THR A 50 6.870 8.796 -5.306 1.00 0.56 H new ATOM 786 N THR A 51 6.667 9.749 -0.330 1.00 0.41 N ATOM 787 CA THR A 51 7.292 9.541 0.972 1.00 0.48 C ATOM 788 C THR A 51 7.585 8.062 1.183 1.00 0.35 C ATOM 789 O THR A 51 7.033 7.221 0.480 1.00 0.33 O ATOM 790 CB THR A 51 6.390 10.047 2.115 1.00 0.64 C ATOM 791 OG1 THR A 51 5.436 10.985 1.605 1.00 0.63 O ATOM 792 CG2 THR A 51 7.218 10.707 3.208 1.00 0.84 C ATOM 0 H THR A 51 5.693 10.049 -0.287 1.00 0.41 H new ATOM 0 HA THR A 51 8.223 10.108 0.986 1.00 0.48 H new ATOM 0 HB THR A 51 5.869 9.190 2.542 1.00 0.64 H new ATOM 0 HG1 THR A 51 4.865 11.301 2.336 1.00 0.63 H new ATOM 0 HG21 THR A 51 6.559 11.056 4.003 1.00 0.84 H new ATOM 0 HG22 THR A 51 7.926 9.985 3.614 1.00 0.84 H new ATOM 0 HG23 THR A 51 7.763 11.554 2.791 1.00 0.84 H new ATOM 800 N ASN A 52 8.451 7.744 2.145 1.00 0.30 N ATOM 801 CA ASN A 52 8.797 6.349 2.421 1.00 0.26 C ATOM 802 C ASN A 52 7.534 5.505 2.577 1.00 0.19 C ATOM 803 O ASN A 52 7.368 4.471 1.922 1.00 0.20 O ATOM 804 CB ASN A 52 9.673 6.242 3.676 1.00 0.29 C ATOM 805 CG ASN A 52 8.879 6.336 4.966 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.852 5.397 5.761 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.225 7.472 5.179 1.00 0.80 N ATOM 0 H ASN A 52 8.922 8.425 2.741 1.00 0.30 H new ATOM 0 HA ASN A 52 9.367 5.966 1.574 1.00 0.26 H new ATOM 0 HB2 ASN A 52 10.212 5.295 3.656 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.421 7.034 3.658 1.00 0.29 H new ATOM 0 HD21 ASN A 52 7.673 7.591 6.028 1.00 0.80 H new ATOM 0 HD22 ASN A 52 8.275 8.225 4.493 1.00 0.80 H new ATOM 814 N GLN A 53 6.632 5.964 3.430 1.00 0.17 N ATOM 815 CA GLN A 53 5.384 5.262 3.650 1.00 0.20 C ATOM 816 C GLN A 53 4.539 5.299 2.383 1.00 0.24 C ATOM 817 O GLN A 53 3.762 4.381 2.120 1.00 0.34 O ATOM 818 CB GLN A 53 4.634 5.870 4.831 1.00 0.27 C ATOM 819 CG GLN A 53 5.098 5.332 6.176 1.00 0.89 C ATOM 820 CD GLN A 53 5.313 6.426 7.201 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.437 6.675 7.638 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.231 7.084 7.591 1.00 1.81 N ATOM 0 H GLN A 53 6.743 6.817 3.978 1.00 0.17 H new ATOM 0 HA GLN A 53 5.596 4.220 3.890 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.762 6.952 4.816 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.568 5.673 4.716 1.00 0.27 H new ATOM 0 HG2 GLN A 53 4.359 4.625 6.554 1.00 0.89 H new ATOM 0 HG3 GLN A 53 6.028 4.779 6.040 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.320 6.843 7.201 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.310 7.831 8.281 1.00 1.81 H new ATOM 831 N LYS A 54 4.715 6.353 1.586 1.00 0.20 N ATOM 832 CA LYS A 54 3.984 6.479 0.335 1.00 0.27 C ATOM 833 C LYS A 54 4.526 5.485 -0.679 1.00 0.24 C ATOM 834 O LYS A 54 3.805 5.039 -1.560 1.00 0.27 O ATOM 835 CB LYS A 54 4.062 7.895 -0.235 1.00 0.34 C ATOM 836 CG LYS A 54 2.758 8.675 -0.106 1.00 0.50 C ATOM 837 CD LYS A 54 2.734 9.554 1.136 1.00 0.80 C ATOM 838 CE LYS A 54 2.787 8.728 2.410 1.00 0.61 C ATOM 839 NZ LYS A 54 1.678 7.740 2.474 1.00 1.52 N ATOM 0 H LYS A 54 5.353 7.123 1.786 1.00 0.20 H new ATOM 0 HA LYS A 54 2.936 6.265 0.542 1.00 0.27 H new ATOM 0 HB2 LYS A 54 4.855 8.441 0.276 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.341 7.840 -1.287 1.00 0.34 H new ATOM 0 HG2 LYS A 54 2.619 9.296 -0.991 1.00 0.50 H new ATOM 0 HG3 LYS A 54 1.921 7.977 -0.071 1.00 0.50 H new ATOM 0 HD2 LYS A 54 3.580 10.241 1.112 1.00 0.80 H new ATOM 0 HD3 LYS A 54 1.829 10.162 1.134 1.00 0.80 H new ATOM 0 HE2 LYS A 54 3.742 8.206 2.465 1.00 0.61 H new ATOM 0 HE3 LYS A 54 2.735 9.390 3.275 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 1.178 7.838 3.380 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 1.014 7.912 1.692 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 2.065 6.778 2.395 1.00 1.52 H new ATOM 853 N THR A 55 5.793 5.107 -0.530 1.00 0.21 N ATOM 854 CA THR A 55 6.380 4.126 -1.428 1.00 0.23 C ATOM 855 C THR A 55 5.580 2.852 -1.294 1.00 0.19 C ATOM 856 O THR A 55 5.310 2.152 -2.270 1.00 0.21 O ATOM 857 CB THR A 55 7.860 3.841 -1.107 1.00 0.29 C ATOM 858 OG1 THR A 55 7.959 2.896 -0.036 1.00 0.30 O ATOM 859 CG2 THR A 55 8.589 5.120 -0.733 1.00 0.34 C ATOM 0 H THR A 55 6.421 5.460 0.192 1.00 0.21 H new ATOM 0 HA THR A 55 6.350 4.519 -2.444 1.00 0.23 H new ATOM 0 HB THR A 55 8.327 3.424 -1.999 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.870 3.363 0.821 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.632 4.893 -0.511 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.540 5.823 -1.564 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.119 5.563 0.145 1.00 0.34 H new ATOM 867 N GLU A 56 5.162 2.597 -0.061 1.00 0.16 N ATOM 868 CA GLU A 56 4.334 1.444 0.244 1.00 0.18 C ATOM 869 C GLU A 56 2.910 1.732 -0.215 1.00 0.18 C ATOM 870 O GLU A 56 2.150 0.820 -0.540 1.00 0.22 O ATOM 871 CB GLU A 56 4.365 1.144 1.743 1.00 0.19 C ATOM 872 CG GLU A 56 5.561 1.752 2.457 1.00 0.21 C ATOM 873 CD GLU A 56 6.645 0.733 2.748 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.304 -0.444 2.990 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.835 1.112 2.734 1.00 0.65 O ATOM 0 H GLU A 56 5.386 3.179 0.746 1.00 0.16 H new ATOM 0 HA GLU A 56 4.717 0.567 -0.278 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.449 1.519 2.200 1.00 0.19 H new ATOM 0 HB3 GLU A 56 4.375 0.064 1.889 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.976 2.554 1.846 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.230 2.203 3.393 1.00 0.21 H new ATOM 882 N LEU A 57 2.574 3.024 -0.265 1.00 0.18 N ATOM 883 CA LEU A 57 1.259 3.470 -0.714 1.00 0.22 C ATOM 884 C LEU A 57 1.099 3.158 -2.191 1.00 0.23 C ATOM 885 O LEU A 57 0.088 2.603 -2.616 1.00 0.29 O ATOM 886 CB LEU A 57 1.096 4.978 -0.489 1.00 0.25 C ATOM 887 CG LEU A 57 -0.273 5.452 0.024 1.00 0.42 C ATOM 888 CD1 LEU A 57 -1.373 4.443 -0.275 1.00 0.99 C ATOM 889 CD2 LEU A 57 -0.204 5.733 1.512 1.00 1.24 C ATOM 0 H LEU A 57 3.202 3.782 0.003 1.00 0.18 H new ATOM 0 HA LEU A 57 0.495 2.947 -0.139 1.00 0.22 H new ATOM 0 HB2 LEU A 57 1.857 5.301 0.222 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.302 5.487 -1.430 1.00 0.25 H new ATOM 0 HG LEU A 57 -0.523 6.372 -0.504 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -2.324 4.818 0.105 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -1.446 4.293 -1.352 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -1.138 3.495 0.208 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -1.179 6.068 1.865 1.00 1.24 H new ATOM 0 HD22 LEU A 57 0.080 4.824 2.041 1.00 1.24 H new ATOM 0 HD23 LEU A 57 0.537 6.510 1.702 1.00 1.24 H new ATOM 901 N GLN A 58 2.124 3.495 -2.968 1.00 0.20 N ATOM 902 CA GLN A 58 2.109 3.223 -4.390 1.00 0.20 C ATOM 903 C GLN A 58 1.945 1.721 -4.580 1.00 0.20 C ATOM 904 O GLN A 58 1.185 1.253 -5.435 1.00 0.22 O ATOM 905 CB GLN A 58 3.400 3.718 -5.049 1.00 0.20 C ATOM 906 CG GLN A 58 3.554 3.282 -6.499 1.00 0.22 C ATOM 907 CD GLN A 58 2.308 3.542 -7.326 1.00 0.23 C ATOM 908 OE1 GLN A 58 1.926 4.690 -7.553 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.669 2.470 -7.785 1.00 0.24 N ATOM 0 H GLN A 58 2.970 3.955 -2.632 1.00 0.20 H new ATOM 0 HA GLN A 58 1.281 3.751 -4.864 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.427 4.807 -5.002 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.253 3.353 -4.477 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.397 3.810 -6.945 1.00 0.22 H new ATOM 0 HG3 GLN A 58 3.790 2.218 -6.531 1.00 0.22 H new ATOM 0 HE21 GLN A 58 2.021 1.537 -7.573 1.00 0.24 H new ATOM 0 HE22 GLN A 58 0.827 2.581 -8.350 1.00 0.24 H new ATOM 918 N ALA A 59 2.638 0.970 -3.727 1.00 0.21 N ATOM 919 CA ALA A 59 2.553 -0.477 -3.749 1.00 0.21 C ATOM 920 C ALA A 59 1.122 -0.893 -3.460 1.00 0.19 C ATOM 921 O ALA A 59 0.593 -1.811 -4.084 1.00 0.20 O ATOM 922 CB ALA A 59 3.511 -1.084 -2.734 1.00 0.24 C ATOM 0 H ALA A 59 3.263 1.346 -3.014 1.00 0.21 H new ATOM 0 HA ALA A 59 2.840 -0.844 -4.734 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.433 -2.171 -2.765 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.532 -0.786 -2.974 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.255 -0.730 -1.735 1.00 0.24 H new ATOM 928 N ILE A 60 0.494 -0.187 -2.520 1.00 0.20 N ATOM 929 CA ILE A 60 -0.892 -0.460 -2.155 1.00 0.21 C ATOM 930 C ILE A 60 -1.758 -0.475 -3.408 1.00 0.20 C ATOM 931 O ILE A 60 -2.562 -1.386 -3.610 1.00 0.21 O ATOM 932 CB ILE A 60 -1.433 0.589 -1.161 1.00 0.25 C ATOM 933 CG1 ILE A 60 -0.803 0.386 0.213 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.950 0.513 -1.066 1.00 0.43 C ATOM 935 CD1 ILE A 60 -1.149 1.469 1.212 1.00 0.67 C ATOM 0 H ILE A 60 0.924 0.577 -1.999 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.927 -1.434 -1.668 1.00 0.21 H new ATOM 0 HB ILE A 60 -1.165 1.580 -1.528 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.124 -0.577 0.610 1.00 0.19 H new ATOM 0 HG13 ILE A 60 0.280 0.340 0.102 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -3.308 1.262 -0.359 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -3.386 0.702 -2.047 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.244 -0.479 -0.723 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -0.664 1.254 2.164 1.00 0.67 H new ATOM 0 HD12 ILE A 60 -0.803 2.433 0.838 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -2.229 1.501 1.354 1.00 0.67 H new ATOM 947 N TYR A 61 -1.564 0.530 -4.256 1.00 0.22 N ATOM 948 CA TYR A 61 -2.298 0.635 -5.511 1.00 0.24 C ATOM 949 C TYR A 61 -2.234 -0.688 -6.270 1.00 0.25 C ATOM 950 O TYR A 61 -3.223 -1.133 -6.851 1.00 0.27 O ATOM 951 CB TYR A 61 -1.705 1.767 -6.362 1.00 0.27 C ATOM 952 CG TYR A 61 -1.997 1.664 -7.846 1.00 0.22 C ATOM 953 CD1 TYR A 61 -1.161 0.945 -8.699 1.00 0.26 C ATOM 954 CD2 TYR A 61 -3.102 2.300 -8.397 1.00 0.24 C ATOM 955 CE1 TYR A 61 -1.424 0.865 -10.053 1.00 0.30 C ATOM 956 CE2 TYR A 61 -3.369 2.224 -9.750 1.00 0.27 C ATOM 957 CZ TYR A 61 -2.528 1.507 -10.574 1.00 0.30 C ATOM 958 OH TYR A 61 -2.792 1.431 -11.922 1.00 0.38 O ATOM 0 H TYR A 61 -0.900 1.287 -4.095 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.343 0.861 -5.297 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.090 2.719 -5.995 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.625 1.783 -6.218 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -0.294 0.443 -8.295 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.764 2.864 -7.756 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.768 0.302 -10.701 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -4.233 2.724 -10.161 1.00 0.27 H new ATOM 0 HH TYR A 61 -3.606 1.937 -12.125 1.00 0.38 H new ATOM 968 N LEU A 62 -1.057 -1.309 -6.256 1.00 0.25 N ATOM 969 CA LEU A 62 -0.851 -2.585 -6.939 1.00 0.26 C ATOM 970 C LEU A 62 -1.780 -3.662 -6.395 1.00 0.25 C ATOM 971 O LEU A 62 -2.521 -4.299 -7.148 1.00 0.28 O ATOM 972 CB LEU A 62 0.597 -3.046 -6.777 1.00 0.30 C ATOM 973 CG LEU A 62 1.648 -1.940 -6.890 1.00 0.54 C ATOM 974 CD1 LEU A 62 3.045 -2.503 -6.693 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.542 -1.236 -8.236 1.00 0.91 C ATOM 0 H LEU A 62 -0.230 -0.949 -5.779 1.00 0.25 H new ATOM 0 HA LEU A 62 -1.074 -2.431 -7.995 1.00 0.26 H new ATOM 0 HB2 LEU A 62 0.702 -3.527 -5.805 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.807 -3.804 -7.532 1.00 0.30 H new ATOM 0 HG LEU A 62 1.459 -1.210 -6.103 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.776 -1.699 -6.777 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.118 -2.958 -5.705 1.00 0.55 H new ATOM 0 HD13 LEU A 62 3.244 -3.257 -7.455 1.00 0.55 H new ATOM 0 HD21 LEU A 62 2.298 -0.453 -8.297 1.00 0.91 H new ATOM 0 HD22 LEU A 62 1.701 -1.957 -9.037 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.551 -0.793 -8.338 1.00 0.91 H new ATOM 987 N ALA A 63 -1.739 -3.860 -5.081 1.00 0.25 N ATOM 988 CA ALA A 63 -2.582 -4.858 -4.442 1.00 0.29 C ATOM 989 C ALA A 63 -4.039 -4.573 -4.747 1.00 0.23 C ATOM 990 O ALA A 63 -4.858 -5.481 -4.855 1.00 0.29 O ATOM 991 CB ALA A 63 -2.356 -4.871 -2.940 1.00 0.41 C ATOM 0 H ALA A 63 -1.133 -3.344 -4.443 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.318 -5.839 -4.837 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.997 -5.625 -2.482 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -1.312 -5.106 -2.731 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.597 -3.891 -2.527 1.00 0.41 H new ATOM 997 N LEU A 64 -4.338 -3.290 -4.892 1.00 0.19 N ATOM 998 CA LEU A 64 -5.690 -2.838 -5.193 1.00 0.22 C ATOM 999 C LEU A 64 -6.044 -3.114 -6.647 1.00 0.27 C ATOM 1000 O LEU A 64 -7.209 -3.318 -6.987 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.816 -1.340 -4.906 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.491 -0.984 -3.582 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.719 0.114 -2.876 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.925 -0.544 -3.823 1.00 0.42 C ATOM 0 H LEU A 64 -3.656 -2.537 -4.805 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.383 -3.389 -4.558 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.819 -0.900 -4.917 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.378 -0.877 -5.717 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.499 -1.870 -2.947 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -6.211 0.357 -1.934 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.703 -0.226 -2.677 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -5.687 1.001 -3.509 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -8.394 -0.294 -2.871 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -7.933 0.331 -4.473 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.479 -1.354 -4.298 1.00 0.42 H new ATOM 1016 N GLN A 65 -5.028 -3.108 -7.500 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.220 -3.347 -8.925 1.00 0.26 C ATOM 1018 C GLN A 65 -5.853 -4.711 -9.188 1.00 0.25 C ATOM 1019 O GLN A 65 -6.770 -4.830 -10.001 1.00 0.29 O ATOM 1020 CB GLN A 65 -3.884 -3.243 -9.658 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.478 -1.814 -9.978 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.403 -1.159 -10.985 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -4.253 -1.339 -12.194 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -5.366 -0.389 -10.490 1.00 0.54 N ATOM 0 H GLN A 65 -4.059 -2.940 -7.229 1.00 0.22 H new ATOM 0 HA GLN A 65 -5.902 -2.584 -9.300 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -3.107 -3.705 -9.049 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -3.942 -3.812 -10.586 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -3.472 -1.227 -9.060 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.460 -1.807 -10.367 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -5.454 -0.268 -9.481 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -6.017 0.081 -11.119 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.356 -5.743 -8.510 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.881 -7.095 -8.699 1.00 0.28 C ATOM 1035 C ASP A 66 -6.661 -7.586 -7.481 1.00 0.26 C ATOM 1036 O ASP A 66 -6.940 -8.779 -7.362 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.741 -8.068 -9.005 1.00 0.35 C ATOM 1038 CG ASP A 66 -4.084 -7.788 -10.342 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -4.807 -7.729 -11.359 1.00 0.75 O ATOM 1040 OD2 ASP A 66 -2.846 -7.628 -10.372 1.00 0.84 O ATOM 0 H ASP A 66 -4.598 -5.672 -7.831 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.570 -7.056 -9.543 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.992 -8.006 -8.215 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -5.126 -9.088 -8.999 1.00 0.35 H new ATOM 1045 N SER A 67 -7.013 -6.672 -6.579 1.00 0.24 N ATOM 1046 CA SER A 67 -7.760 -7.043 -5.378 1.00 0.25 C ATOM 1047 C SER A 67 -9.076 -7.729 -5.740 1.00 0.43 C ATOM 1048 O SER A 67 -9.241 -8.929 -5.514 1.00 1.15 O ATOM 1049 CB SER A 67 -8.029 -5.816 -4.504 1.00 0.23 C ATOM 1050 OG SER A 67 -6.949 -5.573 -3.621 1.00 1.26 O ATOM 0 H SER A 67 -6.796 -5.678 -6.655 1.00 0.24 H new ATOM 0 HA SER A 67 -7.149 -7.747 -4.813 1.00 0.25 H new ATOM 0 HB2 SER A 67 -8.189 -4.943 -5.137 1.00 0.23 H new ATOM 0 HB3 SER A 67 -8.944 -5.967 -3.931 1.00 0.23 H new ATOM 0 HG SER A 67 -6.112 -5.864 -4.040 1.00 1.26 H new ATOM 1056 N GLY A 68 -10.009 -6.965 -6.303 1.00 0.54 N ATOM 1057 CA GLY A 68 -11.295 -7.523 -6.687 1.00 0.53 C ATOM 1058 C GLY A 68 -12.462 -6.822 -6.017 1.00 0.52 C ATOM 1059 O GLY A 68 -12.787 -5.683 -6.354 1.00 0.69 O ATOM 0 H GLY A 68 -9.898 -5.970 -6.500 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -11.408 -7.454 -7.769 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.318 -8.582 -6.431 1.00 0.53 H new ATOM 1063 N LEU A 69 -13.089 -7.503 -5.061 1.00 0.47 N ATOM 1064 CA LEU A 69 -14.222 -6.947 -4.332 1.00 0.48 C ATOM 1065 C LEU A 69 -13.762 -6.429 -2.982 1.00 0.45 C ATOM 1066 O LEU A 69 -13.416 -5.257 -2.831 1.00 0.55 O ATOM 1067 CB LEU A 69 -15.298 -8.020 -4.132 1.00 0.49 C ATOM 1068 CG LEU A 69 -15.328 -9.114 -5.203 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -15.996 -10.371 -4.665 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -16.043 -8.618 -6.452 1.00 1.85 C ATOM 0 H LEU A 69 -12.828 -8.446 -4.773 1.00 0.47 H new ATOM 0 HA LEU A 69 -14.643 -6.124 -4.910 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -15.146 -8.489 -3.160 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -16.273 -7.534 -4.103 1.00 0.49 H new ATOM 0 HG LEU A 69 -14.301 -9.361 -5.472 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -16.008 -11.137 -5.440 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -15.440 -10.737 -3.802 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -17.019 -10.140 -4.367 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -16.055 -9.408 -7.203 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -17.067 -8.342 -6.200 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -15.520 -7.748 -6.849 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.739 -7.327 -2.009 1.00 0.36 N ATOM 1083 CA GLU A 70 -13.301 -7.000 -0.668 1.00 0.33 C ATOM 1084 C GLU A 70 -12.006 -7.734 -0.375 1.00 0.29 C ATOM 1085 O GLU A 70 -11.950 -8.963 -0.439 1.00 0.32 O ATOM 1086 CB GLU A 70 -14.376 -7.376 0.347 1.00 0.34 C ATOM 1087 CG GLU A 70 -15.264 -8.516 -0.115 1.00 0.88 C ATOM 1088 CD GLU A 70 -16.170 -9.035 0.985 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.711 -9.111 2.145 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -17.337 -9.365 0.688 1.00 1.31 O ATOM 0 H GLU A 70 -14.023 -8.299 -2.130 1.00 0.36 H new ATOM 0 HA GLU A 70 -13.129 -5.926 -0.592 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.898 -7.655 1.286 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.995 -6.502 0.551 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -15.874 -8.179 -0.954 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -14.640 -9.331 -0.481 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.961 -6.978 -0.089 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.657 -7.557 0.176 1.00 0.23 C ATOM 1099 C VAL A 71 -9.011 -6.958 1.406 1.00 0.22 C ATOM 1100 O VAL A 71 -9.525 -6.018 2.005 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.708 -7.347 -1.007 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -9.185 -8.130 -2.221 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -8.597 -5.868 -1.318 1.00 0.41 C ATOM 0 H VAL A 71 -10.991 -5.960 -0.034 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.826 -8.621 0.338 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.719 -7.720 -0.742 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.498 -7.968 -3.051 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -9.218 -9.192 -1.979 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -10.182 -7.791 -2.504 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.921 -5.723 -2.160 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -9.581 -5.475 -1.571 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -8.209 -5.341 -0.446 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.864 -7.512 1.753 1.00 0.19 N ATOM 1114 CA ASN A 72 -7.093 -7.065 2.888 1.00 0.19 C ATOM 1115 C ASN A 72 -5.731 -6.579 2.403 1.00 0.17 C ATOM 1116 O ASN A 72 -4.880 -7.377 2.019 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.932 -8.211 3.893 1.00 0.22 C ATOM 1118 CG ASN A 72 -8.016 -8.221 4.964 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.782 -8.654 6.091 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -9.212 -7.747 4.616 1.00 0.63 N ATOM 0 H ASN A 72 -7.442 -8.291 1.248 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.608 -6.244 3.387 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.949 -9.161 3.358 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.956 -8.132 4.372 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.973 -7.735 5.295 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -9.366 -7.396 3.671 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.535 -5.269 2.414 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.284 -4.684 1.963 1.00 0.15 C ATOM 1129 C ILE A 73 -3.342 -4.453 3.143 1.00 0.16 C ATOM 1130 O ILE A 73 -3.463 -3.496 3.915 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.523 -3.361 1.202 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -4.960 -3.685 -0.231 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.272 -2.487 1.212 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -4.669 -2.594 -1.239 1.00 1.11 C ATOM 0 H ILE A 73 -6.228 -4.591 2.731 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.819 -5.389 1.275 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.311 -2.795 1.700 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -4.461 -4.600 -0.551 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -6.031 -3.888 -0.233 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.470 -1.563 0.669 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.000 -2.252 2.241 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.451 -3.021 0.733 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -5.011 -2.909 -2.225 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -5.190 -1.682 -0.948 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -3.596 -2.405 -1.271 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.399 -5.366 3.252 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.398 -5.329 4.307 1.00 0.24 C ATOM 1148 C VAL A 74 -0.176 -4.563 3.836 1.00 0.20 C ATOM 1149 O VAL A 74 0.643 -5.084 3.079 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.977 -6.746 4.748 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -0.866 -6.816 6.262 1.00 1.25 C ATOM 1152 CG2 VAL A 74 -1.961 -7.787 4.233 1.00 1.44 C ATOM 0 H VAL A 74 -2.302 -6.156 2.614 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.845 -4.826 5.165 1.00 0.24 H new ATOM 0 HB VAL A 74 0.001 -6.964 4.318 1.00 0.33 H new ATOM 0 HG11 VAL A 74 -0.568 -7.822 6.559 1.00 1.25 H new ATOM 0 HG12 VAL A 74 -0.119 -6.100 6.606 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -1.831 -6.577 6.709 1.00 1.25 H new ATOM 0 HG21 VAL A 74 -1.644 -8.779 4.556 1.00 1.44 H new ATOM 0 HG22 VAL A 74 -2.954 -7.576 4.630 1.00 1.44 H new ATOM 0 HG23 VAL A 74 -1.990 -7.752 3.144 1.00 1.44 H new ATOM 1162 N THR A 75 -0.065 -3.317 4.277 1.00 0.20 N ATOM 1163 CA THR A 75 1.051 -2.472 3.879 1.00 0.19 C ATOM 1164 C THR A 75 1.740 -1.864 5.072 1.00 0.22 C ATOM 1165 O THR A 75 1.096 -1.541 6.071 1.00 0.30 O ATOM 1166 CB THR A 75 0.589 -1.312 2.985 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.692 -1.607 2.417 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.603 -1.048 1.883 1.00 0.35 C ATOM 0 H THR A 75 -0.731 -2.871 4.908 1.00 0.20 H new ATOM 0 HA THR A 75 1.737 -3.122 3.336 1.00 0.19 H new ATOM 0 HB THR A 75 0.506 -0.415 3.599 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.301 -0.856 2.577 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.257 -0.223 1.261 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.564 -0.790 2.327 1.00 0.35 H new ATOM 0 HG23 THR A 75 1.715 -1.942 1.270 1.00 0.35 H new ATOM 1176 N ASP A 76 3.042 -1.653 4.959 1.00 0.19 N ATOM 1177 CA ASP A 76 3.747 -1.019 6.046 1.00 0.22 C ATOM 1178 C ASP A 76 3.858 0.457 5.752 1.00 0.22 C ATOM 1179 O ASP A 76 4.755 0.898 5.039 1.00 0.24 O ATOM 1180 CB ASP A 76 5.138 -1.623 6.230 1.00 0.26 C ATOM 1181 CG ASP A 76 5.204 -3.079 5.809 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.675 -3.936 6.548 1.00 0.46 O ATOM 1183 OD2 ASP A 76 5.786 -3.362 4.740 1.00 0.80 O ATOM 0 H ASP A 76 3.611 -1.904 4.151 1.00 0.19 H new ATOM 0 HA ASP A 76 3.193 -1.179 6.971 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.859 -1.048 5.649 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.431 -1.538 7.276 1.00 0.26 H new ATOM 1188 N SER A 77 2.939 1.218 6.319 1.00 0.27 N ATOM 1189 CA SER A 77 2.926 2.652 6.128 1.00 0.32 C ATOM 1190 C SER A 77 2.010 3.326 7.136 1.00 0.35 C ATOM 1191 O SER A 77 0.794 3.363 6.943 1.00 0.44 O ATOM 1192 CB SER A 77 2.489 2.992 4.700 1.00 0.40 C ATOM 1193 OG SER A 77 2.040 4.330 4.607 1.00 1.28 O ATOM 0 H SER A 77 2.192 0.863 6.916 1.00 0.27 H new ATOM 0 HA SER A 77 3.937 3.027 6.286 1.00 0.32 H new ATOM 0 HB2 SER A 77 3.323 2.837 4.015 1.00 0.40 H new ATOM 0 HB3 SER A 77 1.692 2.316 4.390 1.00 0.40 H new ATOM 0 HG SER A 77 1.769 4.521 3.685 1.00 1.28 H new ATOM 1199 N GLN A 78 2.576 3.869 8.201 1.00 0.31 N ATOM 1200 CA GLN A 78 1.764 4.541 9.200 1.00 0.34 C ATOM 1201 C GLN A 78 1.198 5.838 8.625 1.00 0.27 C ATOM 1202 O GLN A 78 0.355 6.493 9.242 1.00 0.26 O ATOM 1203 CB GLN A 78 2.569 4.795 10.474 1.00 0.47 C ATOM 1204 CG GLN A 78 3.563 5.939 10.359 1.00 1.04 C ATOM 1205 CD GLN A 78 4.947 5.562 10.850 1.00 1.57 C ATOM 1206 OE1 GLN A 78 5.298 5.812 12.003 1.00 1.97 O ATOM 1207 NE2 GLN A 78 5.742 4.957 9.974 1.00 1.88 N ATOM 0 H GLN A 78 3.577 3.859 8.394 1.00 0.31 H new ATOM 0 HA GLN A 78 0.928 3.895 9.470 1.00 0.34 H new ATOM 0 HB2 GLN A 78 1.879 5.007 11.291 1.00 0.47 H new ATOM 0 HB3 GLN A 78 3.107 3.885 10.739 1.00 0.47 H new ATOM 0 HG2 GLN A 78 3.625 6.258 9.319 1.00 1.04 H new ATOM 0 HG3 GLN A 78 3.198 6.791 10.932 1.00 1.04 H new ATOM 0 HE21 GLN A 78 5.409 4.769 9.028 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.685 4.680 10.247 1.00 1.88 H new ATOM 1216 N TYR A 79 1.638 6.177 7.411 1.00 0.27 N ATOM 1217 CA TYR A 79 1.146 7.365 6.722 1.00 0.28 C ATOM 1218 C TYR A 79 -0.174 7.019 6.076 1.00 0.23 C ATOM 1219 O TYR A 79 -1.165 7.705 6.282 1.00 0.23 O ATOM 1220 CB TYR A 79 2.138 7.868 5.674 1.00 0.37 C ATOM 1221 CG TYR A 79 2.381 9.358 5.745 1.00 0.59 C ATOM 1222 CD1 TYR A 79 1.461 10.256 5.216 1.00 0.86 C ATOM 1223 CD2 TYR A 79 3.526 9.869 6.342 1.00 0.85 C ATOM 1224 CE1 TYR A 79 1.677 11.618 5.279 1.00 1.07 C ATOM 1225 CE2 TYR A 79 3.748 11.231 6.410 1.00 1.07 C ATOM 1226 CZ TYR A 79 2.821 12.101 5.877 1.00 1.08 C ATOM 1227 OH TYR A 79 3.039 13.457 5.942 1.00 1.33 O ATOM 0 H TYR A 79 2.333 5.644 6.888 1.00 0.27 H new ATOM 0 HA TYR A 79 1.020 8.171 7.445 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.086 7.346 5.802 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.766 7.615 4.681 1.00 0.37 H new ATOM 0 HD1 TYR A 79 0.562 9.882 4.748 1.00 0.86 H new ATOM 0 HD2 TYR A 79 4.255 9.191 6.760 1.00 0.85 H new ATOM 0 HE1 TYR A 79 0.953 12.302 4.862 1.00 1.07 H new ATOM 0 HE2 TYR A 79 4.643 11.612 6.878 1.00 1.07 H new ATOM 0 HH TYR A 79 3.890 13.630 6.395 1.00 1.33 H new ATOM 1237 N ALA A 80 -0.192 5.908 5.338 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.427 5.438 4.732 1.00 0.27 C ATOM 1239 C ALA A 80 -2.439 5.327 5.848 1.00 0.24 C ATOM 1240 O ALA A 80 -3.595 5.729 5.724 1.00 0.34 O ATOM 1241 CB ALA A 80 -1.224 4.088 4.061 1.00 0.34 C ATOM 0 H ALA A 80 0.625 5.327 5.150 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.766 6.128 3.959 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -2.163 3.758 3.615 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -0.465 4.178 3.284 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.899 3.358 4.803 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.945 4.815 6.967 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.731 4.672 8.172 1.00 0.21 C ATOM 1249 C LEU A 81 -3.397 6.003 8.505 1.00 0.18 C ATOM 1250 O LEU A 81 -4.535 6.050 8.963 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.810 4.235 9.313 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.501 3.657 10.544 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -1.558 2.713 11.275 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -2.960 4.776 11.467 1.00 1.83 C ATOM 0 H LEU A 81 -0.983 4.488 7.059 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.508 3.921 8.029 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -1.115 3.490 8.927 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -1.216 5.094 9.624 1.00 0.26 H new ATOM 0 HG LEU A 81 -3.379 3.095 10.225 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -2.060 2.305 12.153 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -1.271 1.899 10.610 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -0.667 3.258 11.587 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -3.451 4.348 12.341 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -2.098 5.362 11.786 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -3.660 5.421 10.936 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.658 7.082 8.264 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.164 8.417 8.525 1.00 0.16 C ATOM 1268 C GLY A 82 -4.033 8.971 7.402 1.00 0.17 C ATOM 1269 O GLY A 82 -5.156 9.412 7.648 1.00 0.20 O ATOM 0 H GLY A 82 -1.710 7.054 7.889 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -3.743 8.403 9.448 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.322 9.090 8.687 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.510 8.974 6.170 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.252 9.510 5.029 1.00 0.19 C ATOM 1275 C ILE A 83 -5.131 8.458 4.359 1.00 0.20 C ATOM 1276 O ILE A 83 -6.345 8.622 4.296 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.316 10.120 3.965 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -1.852 9.792 4.246 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -3.514 11.624 3.895 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -1.296 8.698 3.363 1.00 1.30 C ATOM 0 H ILE A 83 -2.583 8.614 5.941 1.00 0.17 H new ATOM 0 HA ILE A 83 -4.889 10.292 5.442 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.574 9.678 3.003 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.254 10.694 4.113 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.749 9.493 5.289 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -2.848 12.044 3.141 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -4.548 11.843 3.629 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -3.288 12.066 4.865 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -0.252 8.519 3.619 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -1.869 7.783 3.513 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -1.366 9.002 2.319 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.517 7.387 3.851 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.260 6.317 3.174 1.00 0.21 C ATOM 1294 C ILE A 84 -6.453 5.846 4.007 1.00 0.26 C ATOM 1295 O ILE A 84 -7.385 5.234 3.483 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.343 5.120 2.814 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.499 4.761 1.326 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -4.632 3.912 3.699 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -5.787 4.031 0.998 1.00 0.58 C ATOM 0 H ILE A 84 -3.509 7.236 3.894 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.642 6.739 2.244 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.310 5.417 2.995 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.452 5.676 0.735 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.655 4.142 1.022 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -3.972 3.091 3.420 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -4.462 4.176 4.743 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -5.669 3.604 3.567 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -5.821 3.814 -0.070 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -5.829 3.098 1.559 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.638 4.656 1.268 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.430 6.155 5.300 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.518 5.786 6.200 1.00 0.31 C ATOM 1313 C GLN A 85 -8.580 6.881 6.213 1.00 0.32 C ATOM 1314 O GLN A 85 -9.770 6.611 6.379 1.00 0.40 O ATOM 1315 CB GLN A 85 -6.979 5.565 7.615 1.00 0.33 C ATOM 1316 CG GLN A 85 -7.950 4.850 8.538 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.344 4.534 9.892 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -7.461 5.316 10.836 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -6.694 3.380 9.994 1.00 0.86 N ATOM 0 H GLN A 85 -5.667 6.662 5.749 1.00 0.27 H new ATOM 0 HA GLN A 85 -7.968 4.859 5.845 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.057 4.987 7.556 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.723 6.531 8.051 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -8.836 5.469 8.677 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -8.279 3.924 8.066 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -6.622 2.762 9.186 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -6.267 3.112 10.881 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.130 8.117 6.041 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.020 9.272 6.032 1.00 0.33 C ATOM 1330 C ALA A 86 -9.442 9.661 4.623 1.00 0.33 C ATOM 1331 O ALA A 86 -9.395 10.841 4.269 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.353 10.450 6.727 1.00 0.38 C ATOM 0 H ALA A 86 -7.146 8.347 5.905 1.00 0.30 H new ATOM 0 HA ALA A 86 -9.923 8.994 6.575 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.025 11.308 6.715 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.125 10.182 7.759 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.430 10.705 6.206 1.00 0.38 H new ATOM 1338 N GLN A 87 -9.871 8.670 3.829 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.314 8.926 2.460 1.00 0.31 C ATOM 1340 C GLN A 87 -9.476 10.043 1.863 1.00 0.31 C ATOM 1341 O GLN A 87 -9.951 11.165 1.688 1.00 0.35 O ATOM 1342 CB GLN A 87 -11.796 9.311 2.444 1.00 0.37 C ATOM 1343 CG GLN A 87 -12.696 8.287 3.117 1.00 0.71 C ATOM 1344 CD GLN A 87 -13.063 8.672 4.537 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -14.222 8.959 4.834 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -12.075 8.680 5.426 1.00 1.08 N ATOM 0 H GLN A 87 -9.919 7.691 4.113 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.188 8.021 1.866 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -11.919 10.273 2.941 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.118 9.443 1.411 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -13.607 8.169 2.530 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -12.195 7.319 3.126 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.128 8.435 5.138 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -12.264 8.931 6.396 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.198 9.761 1.573 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.287 10.756 1.037 1.00 0.31 C ATOM 1357 C PRO A 88 -7.413 10.886 -0.475 1.00 0.42 C ATOM 1358 O PRO A 88 -6.437 11.172 -1.165 1.00 0.99 O ATOM 1359 CB PRO A 88 -5.928 10.187 1.413 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.123 8.727 1.275 1.00 0.31 C ATOM 1361 CD PRO A 88 -7.526 8.460 1.763 1.00 0.27 C ATOM 0 HA PRO A 88 -7.476 11.757 1.424 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.142 10.552 0.752 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -5.644 10.461 2.429 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.001 8.411 0.239 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.391 8.176 1.865 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.009 7.669 1.189 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.537 8.149 2.808 1.00 0.27 H new ATOM 1369 N ASP A 89 -8.620 10.651 -0.984 1.00 0.52 N ATOM 1370 CA ASP A 89 -8.880 10.720 -2.420 1.00 0.49 C ATOM 1371 C ASP A 89 -8.489 12.074 -2.997 1.00 0.46 C ATOM 1372 O ASP A 89 -8.416 12.239 -4.214 1.00 0.46 O ATOM 1373 CB ASP A 89 -10.359 10.455 -2.723 1.00 0.51 C ATOM 1374 CG ASP A 89 -11.223 10.396 -1.477 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -11.027 9.468 -0.664 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -12.090 11.279 -1.309 1.00 1.87 O ATOM 0 H ASP A 89 -9.436 10.410 -0.421 1.00 0.52 H new ATOM 0 HA ASP A 89 -8.269 9.949 -2.888 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -10.735 11.239 -3.381 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -10.449 9.514 -3.265 1.00 0.51 H new ATOM 1381 N GLN A 90 -8.256 13.044 -2.121 1.00 0.47 N ATOM 1382 CA GLN A 90 -7.893 14.383 -2.557 1.00 0.48 C ATOM 1383 C GLN A 90 -7.296 15.194 -1.413 1.00 0.47 C ATOM 1384 O GLN A 90 -7.158 16.414 -1.511 1.00 0.54 O ATOM 1385 CB GLN A 90 -9.124 15.099 -3.121 1.00 0.51 C ATOM 1386 CG GLN A 90 -10.445 14.628 -2.520 1.00 0.68 C ATOM 1387 CD GLN A 90 -10.403 14.512 -1.005 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -10.365 15.517 -0.295 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -10.413 13.280 -0.503 1.00 0.58 N ATOM 0 H GLN A 90 -8.312 12.928 -1.109 1.00 0.47 H new ATOM 0 HA GLN A 90 -7.137 14.293 -3.337 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -9.019 16.170 -2.948 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -9.155 14.952 -4.201 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -11.235 15.324 -2.803 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -10.706 13.659 -2.946 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -10.445 12.475 -1.128 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -10.389 13.141 0.507 1.00 0.58 H new ATOM 1398 N SER A 91 -6.947 14.514 -0.327 1.00 0.41 N ATOM 1399 CA SER A 91 -6.371 15.180 0.834 1.00 0.42 C ATOM 1400 C SER A 91 -4.928 14.747 1.068 1.00 0.37 C ATOM 1401 O SER A 91 -4.616 13.556 1.070 1.00 0.33 O ATOM 1402 CB SER A 91 -7.209 14.886 2.078 1.00 0.45 C ATOM 1403 OG SER A 91 -7.688 16.084 2.666 1.00 1.34 O ATOM 0 H SER A 91 -7.053 13.504 -0.227 1.00 0.41 H new ATOM 0 HA SER A 91 -6.374 16.252 0.638 1.00 0.42 H new ATOM 0 HB2 SER A 91 -8.050 14.247 1.811 1.00 0.45 H new ATOM 0 HB3 SER A 91 -6.609 14.336 2.803 1.00 0.45 H new ATOM 0 HG SER A 91 -8.222 15.868 3.459 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.057 15.731 1.281 1.00 0.43 N ATOM 1410 CA GLU A 92 -2.643 15.477 1.539 1.00 0.41 C ATOM 1411 C GLU A 92 -1.971 14.742 0.373 1.00 0.37 C ATOM 1412 O GLU A 92 -2.055 15.180 -0.775 1.00 0.41 O ATOM 1413 CB GLU A 92 -2.482 14.684 2.837 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.182 14.973 3.570 1.00 0.43 C ATOM 1415 CD GLU A 92 -1.322 16.090 4.586 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -1.898 15.842 5.667 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -0.856 17.213 4.301 1.00 1.49 O ATOM 0 H GLU A 92 -4.310 16.719 1.280 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.145 16.441 1.643 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.319 14.910 3.497 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -2.533 13.619 2.611 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -0.845 14.068 4.075 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -0.412 15.240 2.846 1.00 0.43 H new ATOM 1424 N SER A 93 -1.288 13.639 0.686 1.00 0.31 N ATOM 1425 CA SER A 93 -0.574 12.843 -0.312 1.00 0.29 C ATOM 1426 C SER A 93 -1.381 12.672 -1.600 1.00 0.26 C ATOM 1427 O SER A 93 -2.593 12.464 -1.567 1.00 0.26 O ATOM 1428 CB SER A 93 -0.224 11.470 0.274 1.00 0.28 C ATOM 1429 OG SER A 93 -0.071 10.502 -0.750 1.00 1.05 O ATOM 0 H SER A 93 -1.215 13.274 1.636 1.00 0.31 H new ATOM 0 HA SER A 93 0.339 13.380 -0.570 1.00 0.29 H new ATOM 0 HB2 SER A 93 0.698 11.542 0.851 1.00 0.28 H new ATOM 0 HB3 SER A 93 -1.008 11.155 0.963 1.00 0.28 H new ATOM 0 HG SER A 93 -0.150 9.604 -0.366 1.00 1.05 H new ATOM 1435 N GLU A 94 -0.688 12.762 -2.736 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.320 12.611 -4.045 1.00 0.25 C ATOM 1437 C GLU A 94 -1.441 11.134 -4.416 1.00 0.22 C ATOM 1438 O GLU A 94 -2.376 10.723 -5.108 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.515 13.365 -5.110 1.00 0.29 C ATOM 1440 CG GLU A 94 -0.746 12.866 -6.529 1.00 1.17 C ATOM 1441 CD GLU A 94 -0.954 13.995 -7.521 1.00 2.09 C ATOM 1442 OE1 GLU A 94 -0.308 15.052 -7.362 1.00 2.12 O ATOM 1443 OE2 GLU A 94 -1.761 13.821 -8.458 1.00 3.06 O ATOM 0 H GLU A 94 0.316 12.940 -2.774 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.323 13.035 -3.997 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -0.770 14.424 -5.062 1.00 0.29 H new ATOM 0 HB3 GLU A 94 0.546 13.282 -4.875 1.00 0.29 H new ATOM 0 HG2 GLU A 94 0.108 12.266 -6.842 1.00 1.17 H new ATOM 0 HG3 GLU A 94 -1.617 12.211 -6.542 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.487 10.337 -3.950 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.483 8.910 -4.227 1.00 0.28 C ATOM 1452 C LEU A 95 -1.788 8.278 -3.782 1.00 0.25 C ATOM 1453 O LEU A 95 -2.475 7.619 -4.563 1.00 0.28 O ATOM 1454 CB LEU A 95 0.671 8.238 -3.495 1.00 0.34 C ATOM 1455 CG LEU A 95 1.450 7.199 -4.309 1.00 0.76 C ATOM 1456 CD1 LEU A 95 1.851 7.759 -5.668 1.00 1.74 C ATOM 1457 CD2 LEU A 95 2.681 6.748 -3.546 1.00 1.01 C ATOM 0 H LEU A 95 0.294 10.658 -3.378 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.366 8.772 -5.302 1.00 0.28 H new ATOM 0 HB2 LEU A 95 1.366 9.009 -3.162 1.00 0.34 H new ATOM 0 HB3 LEU A 95 0.279 7.754 -2.600 1.00 0.34 H new ATOM 0 HG LEU A 95 0.799 6.340 -4.472 1.00 0.76 H new ATOM 0 HD11 LEU A 95 2.402 7.002 -6.225 1.00 1.74 H new ATOM 0 HD12 LEU A 95 0.957 8.039 -6.224 1.00 1.74 H new ATOM 0 HD13 LEU A 95 2.481 8.637 -5.528 1.00 1.74 H new ATOM 0 HD21 LEU A 95 3.225 6.010 -4.136 1.00 1.01 H new ATOM 0 HD22 LEU A 95 3.325 7.606 -3.355 1.00 1.01 H new ATOM 0 HD23 LEU A 95 2.379 6.303 -2.598 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.114 8.486 -2.514 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.330 7.945 -1.938 1.00 0.23 C ATOM 1471 C VAL A 96 -4.548 8.319 -2.768 1.00 0.25 C ATOM 1472 O VAL A 96 -5.556 7.614 -2.750 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.536 8.442 -0.502 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -2.802 7.556 0.487 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.092 9.886 -0.363 1.00 0.31 C ATOM 0 H VAL A 96 -1.547 9.030 -1.863 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.219 6.861 -1.930 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.601 8.391 -0.276 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -2.963 7.929 1.499 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -3.179 6.536 0.412 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.735 7.566 0.262 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.247 10.217 0.664 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.035 9.967 -0.614 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -3.675 10.512 -1.038 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.451 9.419 -3.509 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.556 9.853 -4.354 1.00 0.25 C ATOM 1487 C ASN A 97 -5.825 8.793 -5.411 1.00 0.25 C ATOM 1488 O ASN A 97 -6.970 8.412 -5.658 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.237 11.185 -5.043 1.00 0.27 C ATOM 1490 CG ASN A 97 -5.391 12.388 -4.132 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -5.872 13.438 -4.557 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -4.976 12.248 -2.880 1.00 0.44 N ATOM 0 H ASN A 97 -3.627 10.020 -3.541 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.435 9.993 -3.725 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.215 11.154 -5.421 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -5.893 11.305 -5.905 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -5.050 13.029 -2.228 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -4.583 11.359 -2.569 1.00 0.44 H new ATOM 1499 N GLN A 98 -4.746 8.323 -6.026 1.00 0.25 N ATOM 1500 CA GLN A 98 -4.828 7.298 -7.059 1.00 0.27 C ATOM 1501 C GLN A 98 -5.234 5.950 -6.465 1.00 0.28 C ATOM 1502 O GLN A 98 -5.903 5.148 -7.116 1.00 0.32 O ATOM 1503 CB GLN A 98 -3.477 7.161 -7.764 1.00 0.31 C ATOM 1504 CG GLN A 98 -3.568 7.136 -9.282 1.00 0.62 C ATOM 1505 CD GLN A 98 -4.815 6.438 -9.791 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -5.779 7.085 -10.201 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -4.803 5.111 -9.766 1.00 1.52 N ATOM 0 H GLN A 98 -3.797 8.639 -5.825 1.00 0.25 H new ATOM 0 HA GLN A 98 -5.589 7.601 -7.778 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -2.836 7.990 -7.463 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -2.993 6.245 -7.425 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.552 8.159 -9.658 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -2.688 6.635 -9.685 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -3.983 4.615 -9.418 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -5.614 4.587 -10.095 1.00 1.52 H new ATOM 1516 N ILE A 99 -4.817 5.710 -5.225 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.125 4.459 -4.539 1.00 0.32 C ATOM 1518 C ILE A 99 -6.588 4.411 -4.116 1.00 0.32 C ATOM 1519 O ILE A 99 -7.220 3.354 -4.144 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.216 4.269 -3.304 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -2.822 3.820 -3.743 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -4.812 3.262 -2.329 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -1.751 4.857 -3.493 1.00 0.43 C ATOM 0 H ILE A 99 -4.264 6.367 -4.674 1.00 0.28 H new ATOM 0 HA ILE A 99 -4.939 3.646 -5.241 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.138 5.227 -2.790 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -2.560 2.903 -3.214 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -2.844 3.580 -4.806 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.149 3.150 -1.471 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -5.786 3.615 -1.991 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -4.928 2.299 -2.826 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -0.787 4.473 -3.828 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -1.990 5.767 -4.043 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -1.702 5.080 -2.427 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.123 5.561 -3.728 1.00 0.28 N ATOM 1536 CA ILE A 100 -8.509 5.644 -3.303 1.00 0.30 C ATOM 1537 C ILE A 100 -9.450 5.426 -4.474 1.00 0.28 C ATOM 1538 O ILE A 100 -10.312 4.553 -4.433 1.00 0.29 O ATOM 1539 CB ILE A 100 -8.836 7.004 -2.668 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.200 7.128 -1.278 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.345 7.180 -2.594 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.408 5.916 -0.393 1.00 0.32 C ATOM 0 H ILE A 100 -6.617 6.446 -3.700 1.00 0.28 H new ATOM 0 HA ILE A 100 -8.648 4.860 -2.558 1.00 0.30 H new ATOM 0 HB ILE A 100 -8.417 7.795 -3.290 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.130 7.301 -1.394 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -8.612 8.005 -0.778 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -10.577 8.145 -2.143 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -10.766 7.138 -3.599 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -10.775 6.383 -1.987 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -7.928 6.083 0.571 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.475 5.753 -0.244 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -7.970 5.039 -0.869 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.284 6.240 -5.510 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.121 6.145 -6.697 1.00 0.27 C ATOM 1556 C GLU A 101 -10.246 4.690 -7.137 1.00 0.25 C ATOM 1557 O GLU A 101 -11.336 4.217 -7.481 1.00 0.23 O ATOM 1558 CB GLU A 101 -9.538 7.000 -7.824 1.00 0.31 C ATOM 1559 CG GLU A 101 -9.810 8.489 -7.659 1.00 0.42 C ATOM 1560 CD GLU A 101 -10.676 9.054 -8.769 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -11.046 8.288 -9.685 1.00 1.09 O ATOM 1562 OE2 GLU A 101 -10.985 10.263 -8.723 1.00 0.93 O ATOM 0 H GLU A 101 -8.576 6.973 -5.551 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.116 6.521 -6.458 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.461 6.839 -7.872 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -9.953 6.666 -8.775 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -10.299 8.660 -6.700 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -8.862 9.027 -7.634 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.126 3.975 -7.099 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.119 2.571 -7.473 1.00 0.28 C ATOM 1571 C GLN A 102 -9.902 1.753 -6.454 1.00 0.26 C ATOM 1572 O GLN A 102 -10.548 0.764 -6.798 1.00 0.28 O ATOM 1573 CB GLN A 102 -7.686 2.049 -7.589 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.536 0.882 -8.554 1.00 0.56 C ATOM 1575 CD GLN A 102 -8.137 1.166 -9.919 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -8.702 0.279 -10.557 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -8.018 2.408 -10.373 1.00 0.67 N ATOM 0 H GLN A 102 -8.219 4.344 -6.815 1.00 0.27 H new ATOM 0 HA GLN A 102 -9.598 2.470 -8.447 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.037 2.863 -7.913 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -7.340 1.740 -6.603 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.478 0.646 -8.670 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.014 0.000 -8.128 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -7.541 3.113 -9.811 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -8.403 2.657 -11.284 1.00 0.67 H new ATOM 1586 N LEU A 103 -9.850 2.187 -5.202 1.00 0.26 N ATOM 1587 CA LEU A 103 -10.565 1.518 -4.126 1.00 0.25 C ATOM 1588 C LEU A 103 -12.064 1.766 -4.259 1.00 0.26 C ATOM 1589 O LEU A 103 -12.880 0.982 -3.774 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.062 2.014 -2.766 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.753 1.405 -1.541 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -10.852 -0.109 -1.665 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -10.004 1.786 -0.273 1.00 1.02 C ATOM 0 H LEU A 103 -9.316 3.004 -4.906 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.380 0.446 -4.195 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -8.994 1.809 -2.697 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -10.182 3.097 -2.727 1.00 0.29 H new ATOM 0 HG LEU A 103 -11.766 1.805 -1.487 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -11.346 -0.515 -0.782 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -11.429 -0.364 -2.554 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -9.851 -0.533 -1.748 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -10.504 1.348 0.591 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -8.981 1.413 -0.328 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -9.989 2.871 -0.171 1.00 1.02 H new ATOM 1605 N ILE A 104 -12.416 2.860 -4.933 1.00 0.26 N ATOM 1606 CA ILE A 104 -13.814 3.206 -5.145 1.00 0.30 C ATOM 1607 C ILE A 104 -14.493 2.156 -6.006 1.00 0.28 C ATOM 1608 O ILE A 104 -15.616 1.734 -5.727 1.00 0.34 O ATOM 1609 CB ILE A 104 -13.968 4.574 -5.838 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.109 5.630 -5.138 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -15.435 4.992 -5.858 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.247 7.017 -5.729 1.00 0.43 C ATOM 0 H ILE A 104 -11.751 3.518 -5.339 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.281 3.253 -4.161 1.00 0.30 H new ATOM 0 HB ILE A 104 -13.622 4.486 -6.868 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -13.381 5.666 -4.083 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.063 5.326 -5.188 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -15.531 5.960 -6.350 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.018 4.249 -6.402 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -15.806 5.066 -4.836 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -12.609 7.711 -5.181 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -12.947 6.998 -6.777 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.285 7.342 -5.655 1.00 0.43 H new ATOM 1624 N LYS A 105 -13.803 1.746 -7.062 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.336 0.751 -7.983 1.00 0.29 C ATOM 1626 C LYS A 105 -14.436 -0.634 -7.339 1.00 0.29 C ATOM 1627 O LYS A 105 -14.720 -1.614 -8.029 1.00 0.31 O ATOM 1628 CB LYS A 105 -13.471 0.679 -9.245 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.235 -0.196 -9.098 1.00 0.53 C ATOM 1630 CD LYS A 105 -12.042 -1.092 -10.311 1.00 0.62 C ATOM 1631 CE LYS A 105 -11.272 -2.355 -9.957 1.00 1.05 C ATOM 1632 NZ LYS A 105 -10.985 -3.182 -11.161 1.00 1.65 N ATOM 0 H LYS A 105 -12.872 2.087 -7.302 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.345 1.065 -8.250 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.077 0.299 -10.067 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.160 1.687 -9.518 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.355 0.434 -8.965 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.326 -0.809 -8.202 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -13.014 -1.361 -10.723 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -11.507 -0.545 -11.087 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -10.335 -2.085 -9.469 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -11.846 -2.942 -9.241 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -10.459 -4.034 -10.880 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -11.880 -3.461 -11.612 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -10.415 -2.630 -11.834 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.211 -0.729 -6.025 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.294 -2.024 -5.356 1.00 0.32 C ATOM 1648 C LYS A 106 -14.921 -1.905 -3.972 1.00 0.35 C ATOM 1649 O LYS A 106 -15.124 -0.805 -3.461 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.911 -2.673 -5.257 1.00 0.30 C ATOM 1651 CG LYS A 106 -11.961 -1.963 -4.309 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.728 -2.806 -4.022 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.826 -2.914 -5.242 1.00 0.68 C ATOM 1654 NZ LYS A 106 -10.236 -4.024 -6.145 1.00 1.27 N ATOM 0 H LYS A 106 -13.976 0.057 -5.418 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.940 -2.661 -5.961 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -13.029 -3.706 -4.930 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.463 -2.702 -6.250 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -11.659 -1.009 -4.742 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.476 -1.740 -3.375 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.171 -2.366 -3.195 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -11.034 -3.803 -3.706 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -9.847 -1.973 -5.792 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -8.797 -3.071 -4.919 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -9.389 -4.497 -6.520 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -10.809 -4.710 -5.614 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -10.796 -3.641 -6.933 1.00 1.27 H new ATOM 1668 N GLU A 107 -15.232 -3.055 -3.378 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.847 -3.094 -2.058 1.00 0.36 C ATOM 1670 C GLU A 107 -14.938 -2.485 -1.003 1.00 0.34 C ATOM 1671 O GLU A 107 -15.356 -1.581 -0.286 1.00 0.64 O ATOM 1672 CB GLU A 107 -16.214 -4.537 -1.676 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.887 -4.657 -0.318 1.00 0.58 C ATOM 1674 CD GLU A 107 -18.397 -4.759 -0.420 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -19.036 -3.760 -0.813 1.00 1.44 O ATOM 1676 OE2 GLU A 107 -18.941 -5.839 -0.105 1.00 1.21 O ATOM 0 H GLU A 107 -15.067 -3.972 -3.793 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.758 -2.498 -2.101 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -16.877 -4.948 -2.438 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -15.310 -5.145 -1.679 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -16.502 -5.537 0.197 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -16.626 -3.791 0.290 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.704 -2.976 -0.885 1.00 0.34 N ATOM 1684 CA LYS A 108 -12.800 -2.437 0.129 1.00 0.34 C ATOM 1685 C LYS A 108 -11.431 -3.114 0.146 1.00 0.37 C ATOM 1686 O LYS A 108 -11.227 -4.170 -0.451 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.442 -2.615 1.506 1.00 0.35 C ATOM 1688 CG LYS A 108 -14.054 -3.995 1.708 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.449 -4.232 3.155 1.00 0.40 C ATOM 1690 CE LYS A 108 -15.827 -4.866 3.260 1.00 0.51 C ATOM 1691 NZ LYS A 108 -16.416 -4.692 4.615 1.00 1.23 N ATOM 0 H LYS A 108 -13.316 -3.724 -1.460 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.640 -1.387 -0.117 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -12.690 -2.442 2.276 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.215 -1.858 1.640 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -14.932 -4.100 1.070 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -13.340 -4.758 1.397 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -13.713 -4.878 3.633 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -14.441 -3.285 3.695 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -16.489 -4.421 2.517 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -15.756 -5.929 3.029 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.355 -5.138 4.645 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -15.798 -5.138 5.322 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -16.508 -3.678 4.826 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.520 -2.499 0.899 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.170 -3.014 1.102 1.00 0.22 C ATOM 1707 C VAL A 109 -8.788 -2.772 2.558 1.00 0.21 C ATOM 1708 O VAL A 109 -8.790 -1.637 3.030 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.111 -2.363 0.184 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.439 -2.631 -1.275 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -8.003 -0.867 0.442 1.00 0.23 C ATOM 0 H VAL A 109 -10.701 -1.623 1.388 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.182 -4.074 0.850 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.144 -2.812 0.413 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.684 -2.166 -1.909 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.451 -3.706 -1.454 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.418 -2.213 -1.511 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.250 -0.437 -0.219 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -8.966 -0.394 0.250 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.715 -0.697 1.479 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.489 -3.835 3.276 1.00 0.20 N ATOM 1722 CA TYR A 110 -8.144 -3.719 4.681 1.00 0.21 C ATOM 1723 C TYR A 110 -6.697 -3.270 4.819 1.00 0.22 C ATOM 1724 O TYR A 110 -5.776 -4.048 4.594 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.385 -5.083 5.333 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.622 -5.347 6.604 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -8.118 -4.954 7.839 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.397 -5.972 6.555 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -7.406 -5.185 8.997 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.671 -6.213 7.700 1.00 0.36 C ATOM 1731 CZ TYR A 110 -6.255 -5.852 8.963 1.00 0.48 C ATOM 1732 OH TYR A 110 -5.458 -6.054 10.074 1.00 0.59 O ATOM 0 H TYR A 110 -8.477 -4.788 2.912 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.759 -2.971 5.181 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.450 -5.180 5.544 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.131 -5.859 4.611 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -9.077 -4.460 7.894 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -5.997 -6.279 5.600 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -7.786 -4.821 9.940 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.690 -6.661 7.651 1.00 0.36 H new ATOM 0 HH TYR A 110 -4.664 -6.569 9.818 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.498 -2.003 5.153 1.00 0.25 N ATOM 1743 CA LEU A 111 -5.153 -1.460 5.270 1.00 0.30 C ATOM 1744 C LEU A 111 -4.679 -1.435 6.709 1.00 0.41 C ATOM 1745 O LEU A 111 -5.353 -0.896 7.586 1.00 0.64 O ATOM 1746 CB LEU A 111 -5.097 -0.054 4.676 1.00 0.50 C ATOM 1747 CG LEU A 111 -4.003 0.148 3.628 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -4.570 0.808 2.380 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -2.861 0.972 4.205 1.00 1.34 C ATOM 0 H LEU A 111 -7.245 -1.336 5.346 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.485 -2.116 4.712 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.062 0.175 4.224 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -4.946 0.662 5.484 1.00 0.50 H new ATOM 0 HG LEU A 111 -3.611 -0.829 3.345 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -3.775 0.943 1.647 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -5.351 0.176 1.957 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -4.991 1.779 2.641 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -2.090 1.107 3.446 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -3.237 1.946 4.518 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -2.437 0.454 5.065 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.509 -2.022 6.951 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.963 -2.050 8.306 1.00 0.54 C ATOM 1763 C ALA A 112 -1.447 -2.231 8.338 1.00 0.41 C ATOM 1764 O ALA A 112 -0.851 -2.799 7.415 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.633 -3.151 9.113 1.00 0.83 C ATOM 0 H ALA A 112 -2.931 -2.476 6.243 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.174 -1.077 8.750 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -3.220 -3.165 10.122 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.706 -2.965 9.162 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -3.454 -4.114 8.634 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.841 -1.753 9.434 1.00 0.40 N ATOM 1772 CA TRP A 113 0.598 -1.863 9.651 1.00 0.46 C ATOM 1773 C TRP A 113 0.903 -2.083 11.135 1.00 0.85 C ATOM 1774 O TRP A 113 0.125 -1.694 12.007 1.00 1.15 O ATOM 1775 CB TRP A 113 1.347 -0.610 9.172 1.00 0.31 C ATOM 1776 CG TRP A 113 2.830 -0.716 9.392 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.614 -1.773 9.058 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.699 0.238 10.012 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.915 -1.542 9.417 1.00 1.23 N ATOM 1780 CE2 TRP A 113 4.995 -0.316 10.010 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.514 1.501 10.566 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 6.093 0.351 10.539 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 4.607 2.165 11.093 1.00 3.00 C ATOM 1784 CH2 TRP A 113 5.882 1.589 11.078 1.00 2.58 C ATOM 0 H TRP A 113 -1.338 -1.281 10.190 1.00 0.40 H new ATOM 0 HA TRP A 113 0.941 -2.718 9.069 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.149 -0.454 8.112 1.00 0.31 H new ATOM 0 HB3 TRP A 113 0.965 0.264 9.700 1.00 0.31 H new ATOM 0 HD1 TRP A 113 3.260 -2.672 8.576 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.696 -2.181 9.266 1.00 1.23 H new ATOM 0 HE3 TRP A 113 2.534 1.955 10.584 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 7.078 -0.093 10.525 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 4.474 3.146 11.524 1.00 3.00 H new ATOM 0 HH2 TRP A 113 6.714 2.133 11.500 1.00 2.58 H new