USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 822 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 77 ASN : amide:sc= -2.58 K(o=-1.6,f=-5.3!) USER MOD Set 1.2: A 79 TYR OH : rot -134:sc= 1.02 USER MOD Set 2.1: A 10 SER OG : rot 114:sc= 0.739 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.626 USER MOD Set 2.3: A 13 THR OG1 : rot 70:sc= 0.922 USER MOD Set 3.1: A 1 SER OG : rot -160:sc= 0.209 USER MOD Set 3.2: A 70 ASN : amide:sc= 0.0414 K(o=0.25,f=-3.1!) USER MOD Single : A 1 SER N :NH3+ -150:sc= 0.0527 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00914) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 90:sc= 1.27 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= -0.364 (180deg=-1.29) USER MOD Single : A 30 TYR OH : rot -88:sc= 1.36 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.5) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 92:sc= -1.39! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -169:sc= -0.276 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.0324 (180deg=-0.334) USER MOD Single : A 59 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 63:sc= 0.511 USER MOD Single : A 83 SER OG : rot 170:sc= -0.0168 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 58:sc= 0.765 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4!) USER MOD Single : A 96 ASN : amide:sc= -4.5! K(o=-4.5!,f=-2.6) USER MOD Single : A 101 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00717 X(o=-0.0072,f=-0.0072) USER MOD Single : A 103 HIS : no HD1:sc= -0.702 X(o=-0.7,f=-0.43) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.377 -0.051 -3.084 1.00 0.00 N ATOM 2 CA SER A 1 -10.999 -0.048 -2.517 1.00 0.00 C ATOM 3 C SER A 1 -10.755 -1.378 -1.797 1.00 0.00 C ATOM 4 O SER A 1 -10.644 -1.440 -0.584 1.00 0.00 O ATOM 5 CB SER A 1 -10.853 1.121 -1.542 1.00 0.00 C ATOM 6 OG SER A 1 -11.904 1.070 -0.585 1.00 0.00 O ATOM 0 H1 SER A 1 -12.400 0.534 -3.943 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.653 -1.025 -3.321 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.041 0.336 -2.384 1.00 0.00 H new ATOM 0 HA SER A 1 -10.265 0.068 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.886 1.072 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.884 2.067 -2.083 1.00 0.00 H new ATOM 0 HG SER A 1 -12.011 1.951 -0.169 1.00 0.00 H new ATOM 14 N ASP A 2 -10.682 -2.450 -2.543 1.00 0.00 N ATOM 15 CA ASP A 2 -10.459 -3.789 -1.924 1.00 0.00 C ATOM 16 C ASP A 2 -8.969 -4.021 -1.673 1.00 0.00 C ATOM 17 O ASP A 2 -8.120 -3.259 -2.102 1.00 0.00 O ATOM 18 CB ASP A 2 -10.996 -4.885 -2.849 1.00 0.00 C ATOM 19 CG ASP A 2 -10.314 -4.798 -4.216 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.339 -4.074 -4.327 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.780 -5.457 -5.131 1.00 0.00 O ATOM 0 H ASP A 2 -10.768 -2.454 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.988 -3.822 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.818 -5.865 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.075 -4.779 -2.964 1.00 0.00 H new ATOM 26 N LEU A 3 -8.646 -5.075 -0.969 1.00 0.00 N ATOM 27 CA LEU A 3 -7.220 -5.366 -0.673 1.00 0.00 C ATOM 28 C LEU A 3 -6.570 -6.066 -1.870 1.00 0.00 C ATOM 29 O LEU A 3 -7.074 -7.052 -2.382 1.00 0.00 O ATOM 30 CB LEU A 3 -7.139 -6.265 0.561 1.00 0.00 C ATOM 31 CG LEU A 3 -5.671 -6.541 0.924 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.955 -5.225 1.279 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.621 -7.500 2.118 1.00 0.00 C ATOM 0 H LEU A 3 -9.313 -5.746 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.690 -4.433 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.645 -5.788 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.656 -7.205 0.369 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.166 -6.992 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.916 -5.433 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.990 -4.550 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.451 -4.759 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.582 -7.700 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.130 -7.048 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.115 -8.435 1.855 1.00 0.00 H new ATOM 45 N VAL A 4 -5.451 -5.557 -2.320 1.00 0.00 N ATOM 46 CA VAL A 4 -4.752 -6.176 -3.486 1.00 0.00 C ATOM 47 C VAL A 4 -3.247 -6.217 -3.236 1.00 0.00 C ATOM 48 O VAL A 4 -2.721 -5.527 -2.382 1.00 0.00 O ATOM 49 CB VAL A 4 -5.035 -5.360 -4.745 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.526 -5.427 -5.065 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.625 -3.905 -4.515 1.00 0.00 C ATOM 0 H VAL A 4 -4.990 -4.736 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.119 -7.194 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.464 -5.767 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.732 -4.845 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.816 -6.465 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.096 -5.019 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.827 -3.323 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.194 -3.494 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.561 -3.859 -4.285 1.00 0.00 H new ATOM 61 N LYS A 5 -2.553 -7.024 -3.990 1.00 0.00 N ATOM 62 CA LYS A 5 -1.077 -7.134 -3.825 1.00 0.00 C ATOM 63 C LYS A 5 -0.378 -5.930 -4.465 1.00 0.00 C ATOM 64 O LYS A 5 -0.924 -5.247 -5.313 1.00 0.00 O ATOM 65 CB LYS A 5 -0.591 -8.422 -4.489 1.00 0.00 C ATOM 66 CG LYS A 5 -1.119 -9.625 -3.703 1.00 0.00 C ATOM 67 CD LYS A 5 -0.640 -10.921 -4.361 1.00 0.00 C ATOM 68 CE LYS A 5 -1.102 -12.121 -3.528 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.551 -12.373 -3.776 1.00 0.00 N ATOM 0 H LYS A 5 -2.949 -7.617 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.837 -7.153 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.938 -8.466 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.498 -8.441 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.770 -9.579 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.208 -9.602 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.036 -10.994 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.447 -10.919 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.519 -13.004 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.932 -11.929 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.855 -13.208 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.104 -11.545 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.705 -12.541 -4.791 1.00 0.00 H new ATOM 83 N ILE A 6 0.832 -5.673 -4.057 1.00 0.00 N ATOM 84 CA ILE A 6 1.601 -4.525 -4.620 1.00 0.00 C ATOM 85 C ILE A 6 1.852 -4.749 -6.118 1.00 0.00 C ATOM 86 O ILE A 6 1.737 -3.847 -6.928 1.00 0.00 O ATOM 87 CB ILE A 6 2.943 -4.434 -3.897 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.720 -4.398 -2.376 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.686 -3.175 -4.340 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.755 -3.266 -1.998 1.00 0.00 C ATOM 0 H ILE A 6 1.328 -6.215 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 6 1.034 -3.604 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 6 3.541 -5.310 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.318 -5.354 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.673 -4.256 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.643 -3.115 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.859 -3.214 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.088 -2.296 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.610 -3.257 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.172 -2.311 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.796 -3.425 -2.491 1.00 0.00 H new ATOM 102 N ARG A 7 2.210 -5.945 -6.487 1.00 0.00 N ATOM 103 CA ARG A 7 2.488 -6.243 -7.923 1.00 0.00 C ATOM 104 C ARG A 7 1.205 -6.120 -8.755 1.00 0.00 C ATOM 105 O ARG A 7 1.243 -5.998 -9.967 1.00 0.00 O ATOM 106 CB ARG A 7 3.035 -7.668 -8.035 1.00 0.00 C ATOM 107 CG ARG A 7 2.003 -8.667 -7.489 1.00 0.00 C ATOM 108 CD ARG A 7 2.571 -10.083 -7.591 1.00 0.00 C ATOM 109 NE ARG A 7 1.577 -11.067 -7.062 1.00 0.00 N ATOM 110 CZ ARG A 7 0.666 -11.583 -7.846 1.00 0.00 C ATOM 111 NH1 ARG A 7 0.601 -11.231 -9.101 1.00 0.00 N ATOM 112 NH2 ARG A 7 -0.183 -12.448 -7.369 1.00 0.00 N ATOM 0 H ARG A 7 2.324 -6.736 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 7 3.218 -5.528 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.263 -7.899 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.968 -7.754 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.765 -8.432 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.074 -8.593 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.809 -10.315 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.501 -10.153 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 7 1.610 -11.339 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.263 -10.551 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.111 -11.636 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.136 -12.721 -6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.895 -12.853 -7.977 1.00 0.00 H new ATOM 126 N ASP A 8 0.067 -6.151 -8.122 1.00 0.00 N ATOM 127 CA ASP A 8 -1.212 -6.037 -8.880 1.00 0.00 C ATOM 128 C ASP A 8 -1.561 -4.555 -9.070 1.00 0.00 C ATOM 129 O ASP A 8 -2.551 -4.209 -9.690 1.00 0.00 O ATOM 130 CB ASP A 8 -2.325 -6.726 -8.082 1.00 0.00 C ATOM 131 CG ASP A 8 -3.589 -6.832 -8.939 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.577 -6.318 -10.044 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.547 -7.426 -8.471 1.00 0.00 O ATOM 0 H ASP A 8 -0.035 -6.250 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.109 -6.511 -9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.001 -7.719 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.537 -6.162 -7.174 1.00 0.00 H new ATOM 138 N VAL A 9 -0.753 -3.676 -8.538 1.00 0.00 N ATOM 139 CA VAL A 9 -1.039 -2.219 -8.676 1.00 0.00 C ATOM 140 C VAL A 9 -0.919 -1.790 -10.139 1.00 0.00 C ATOM 141 O VAL A 9 0.027 -2.122 -10.831 1.00 0.00 O ATOM 142 CB VAL A 9 -0.052 -1.417 -7.828 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.269 0.081 -8.067 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.285 -1.734 -6.351 1.00 0.00 C ATOM 0 H VAL A 9 0.092 -3.905 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.056 -2.028 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 9 0.968 -1.683 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.435 0.652 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.109 0.308 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.288 0.350 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.417 -1.164 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.305 -1.464 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.133 -2.800 -6.179 1.00 0.00 H new ATOM 154 N SER A 10 -1.883 -1.048 -10.612 1.00 0.00 N ATOM 155 CA SER A 10 -1.853 -0.582 -12.023 1.00 0.00 C ATOM 156 C SER A 10 -2.701 0.683 -12.157 1.00 0.00 C ATOM 157 O SER A 10 -3.462 1.035 -11.275 1.00 0.00 O ATOM 158 CB SER A 10 -2.416 -1.669 -12.939 1.00 0.00 C ATOM 159 OG SER A 10 -3.670 -2.102 -12.433 1.00 0.00 O ATOM 0 H SER A 10 -2.695 -0.744 -10.075 1.00 0.00 H new ATOM 0 HA SER A 10 -0.824 -0.367 -12.310 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.532 -1.283 -13.952 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.723 -2.509 -12.995 1.00 0.00 H new ATOM 0 HG SER A 10 -4.380 -1.855 -13.062 1.00 0.00 H new ATOM 165 N LEU A 11 -2.583 1.361 -13.260 1.00 0.00 N ATOM 166 CA LEU A 11 -3.385 2.600 -13.479 1.00 0.00 C ATOM 167 C LEU A 11 -4.871 2.238 -13.533 1.00 0.00 C ATOM 168 O LEU A 11 -5.728 2.978 -13.084 1.00 0.00 O ATOM 169 CB LEU A 11 -2.963 3.236 -14.799 1.00 0.00 C ATOM 170 CG LEU A 11 -1.516 3.742 -14.691 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.023 4.181 -16.076 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.429 4.928 -13.707 1.00 0.00 C ATOM 0 H LEU A 11 -1.961 1.111 -14.028 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.216 3.303 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.045 2.509 -15.607 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.630 4.062 -15.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.888 2.934 -14.317 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.003 4.540 -16.000 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.061 3.334 -16.761 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.660 4.981 -16.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.397 5.273 -13.643 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.062 5.741 -14.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.766 4.608 -12.721 1.00 0.00 H new ATOM 184 N SER A 12 -5.182 1.098 -14.074 1.00 0.00 N ATOM 185 CA SER A 12 -6.607 0.675 -14.159 1.00 0.00 C ATOM 186 C SER A 12 -7.221 0.663 -12.755 1.00 0.00 C ATOM 187 O SER A 12 -8.428 0.700 -12.592 1.00 0.00 O ATOM 188 CB SER A 12 -6.677 -0.732 -14.754 1.00 0.00 C ATOM 189 OG SER A 12 -6.076 -1.655 -13.851 1.00 0.00 O ATOM 0 H SER A 12 -4.510 0.437 -14.463 1.00 0.00 H new ATOM 0 HA SER A 12 -7.159 1.371 -14.791 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.715 -1.010 -14.939 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.163 -0.759 -15.715 1.00 0.00 H new ATOM 0 HG SER A 12 -6.121 -2.558 -14.229 1.00 0.00 H new ATOM 195 N THR A 13 -6.396 0.617 -11.737 1.00 0.00 N ATOM 196 CA THR A 13 -6.915 0.609 -10.335 1.00 0.00 C ATOM 197 C THR A 13 -6.467 1.896 -9.621 1.00 0.00 C ATOM 198 O THR A 13 -5.497 1.898 -8.889 1.00 0.00 O ATOM 199 CB THR A 13 -6.353 -0.613 -9.599 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.004 -0.372 -9.232 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.432 -1.830 -10.517 1.00 0.00 C ATOM 0 H THR A 13 -5.380 0.584 -11.819 1.00 0.00 H new ATOM 0 HA THR A 13 -8.004 0.560 -10.342 1.00 0.00 H new ATOM 0 HB THR A 13 -6.937 -0.799 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.974 0.302 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.034 -2.703 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.471 -2.013 -10.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.847 -1.645 -11.418 1.00 0.00 H new ATOM 209 N PRO A 14 -7.162 2.989 -9.839 1.00 0.00 N ATOM 210 CA PRO A 14 -6.824 4.297 -9.204 1.00 0.00 C ATOM 211 C PRO A 14 -7.159 4.293 -7.714 1.00 0.00 C ATOM 212 O PRO A 14 -6.707 5.131 -6.958 1.00 0.00 O ATOM 213 CB PRO A 14 -7.682 5.318 -9.972 1.00 0.00 C ATOM 214 CG PRO A 14 -8.843 4.536 -10.500 1.00 0.00 C ATOM 215 CD PRO A 14 -8.355 3.095 -10.701 1.00 0.00 C ATOM 0 HA PRO A 14 -5.760 4.526 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.015 6.124 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.116 5.778 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.679 4.567 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.198 4.958 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.119 2.373 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.110 2.900 -11.745 1.00 0.00 H new ATOM 223 N TYR A 15 -7.954 3.345 -7.288 1.00 0.00 N ATOM 224 CA TYR A 15 -8.334 3.259 -5.845 1.00 0.00 C ATOM 225 C TYR A 15 -8.069 1.844 -5.348 1.00 0.00 C ATOM 226 O TYR A 15 -8.740 0.904 -5.732 1.00 0.00 O ATOM 227 CB TYR A 15 -9.815 3.594 -5.692 1.00 0.00 C ATOM 228 CG TYR A 15 -10.042 5.035 -6.086 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.503 6.063 -5.306 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.787 5.345 -7.234 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.706 7.401 -5.668 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.990 6.684 -7.596 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.449 7.711 -6.813 1.00 0.00 C ATOM 234 OH TYR A 15 -10.651 9.029 -7.166 1.00 0.00 O ATOM 0 H TYR A 15 -8.359 2.622 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.746 3.966 -5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.416 2.934 -6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.132 3.432 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.929 5.825 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.204 4.553 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.289 8.193 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.564 6.923 -8.479 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.186 9.070 -7.986 1.00 0.00 H new ATOM 244 N VAL A 16 -7.083 1.677 -4.506 1.00 0.00 N ATOM 245 CA VAL A 16 -6.769 0.306 -3.996 1.00 0.00 C ATOM 246 C VAL A 16 -6.287 0.374 -2.552 1.00 0.00 C ATOM 247 O VAL A 16 -5.878 1.412 -2.062 1.00 0.00 O ATOM 248 CB VAL A 16 -5.684 -0.337 -4.859 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.236 -0.579 -6.257 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.468 0.590 -4.943 1.00 0.00 C ATOM 0 H VAL A 16 -6.485 2.423 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.677 -0.295 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.380 -1.284 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.466 -1.038 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.098 -1.243 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.539 0.371 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.698 0.126 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.765 1.540 -5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.074 0.765 -3.942 1.00 0.00 H new ATOM 260 N SER A 17 -6.330 -0.740 -1.866 1.00 0.00 N ATOM 261 CA SER A 17 -5.871 -0.793 -0.446 1.00 0.00 C ATOM 262 C SER A 17 -4.669 -1.731 -0.354 1.00 0.00 C ATOM 263 O SER A 17 -4.655 -2.791 -0.956 1.00 0.00 O ATOM 264 CB SER A 17 -6.996 -1.329 0.431 1.00 0.00 C ATOM 265 OG SER A 17 -6.495 -1.581 1.737 1.00 0.00 O ATOM 0 H SER A 17 -6.669 -1.628 -2.236 1.00 0.00 H new ATOM 0 HA SER A 17 -5.593 0.205 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.813 -0.608 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.402 -2.245 0.002 1.00 0.00 H new ATOM 0 HG SER A 17 -6.599 -0.777 2.288 1.00 0.00 H new ATOM 271 N VAL A 18 -3.655 -1.348 0.383 1.00 0.00 N ATOM 272 CA VAL A 18 -2.440 -2.214 0.508 1.00 0.00 C ATOM 273 C VAL A 18 -2.001 -2.301 1.967 1.00 0.00 C ATOM 274 O VAL A 18 -2.353 -1.480 2.795 1.00 0.00 O ATOM 275 CB VAL A 18 -1.302 -1.630 -0.330 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.686 -1.684 -1.806 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.048 -0.175 0.076 1.00 0.00 C ATOM 0 H VAL A 18 -3.616 -0.472 0.904 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.684 -3.214 0.149 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.396 -2.212 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.878 -1.269 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.861 -2.719 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.594 -1.103 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.236 0.234 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.952 0.412 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.775 -0.134 1.130 1.00 0.00 H new ATOM 287 N ILE A 19 -1.228 -3.307 2.283 1.00 0.00 N ATOM 288 CA ILE A 19 -0.741 -3.487 3.679 1.00 0.00 C ATOM 289 C ILE A 19 0.675 -4.047 3.658 1.00 0.00 C ATOM 290 O ILE A 19 0.977 -4.980 2.938 1.00 0.00 O ATOM 291 CB ILE A 19 -1.670 -4.443 4.430 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.140 -4.658 5.849 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.740 -5.785 3.698 1.00 0.00 C ATOM 294 CD1 ILE A 19 -2.174 -5.432 6.669 1.00 0.00 C ATOM 0 H ILE A 19 -0.911 -4.018 1.624 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.736 -2.523 4.188 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.670 -4.011 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.200 -5.208 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.932 -3.697 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.403 -6.460 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.124 -5.630 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.743 -6.222 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.796 -5.585 7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.104 -4.865 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.360 -6.399 6.201 1.00 0.00 H new ATOM 306 N GLY A 20 1.550 -3.484 4.445 1.00 0.00 N ATOM 307 CA GLY A 20 2.950 -3.984 4.467 1.00 0.00 C ATOM 308 C GLY A 20 3.793 -3.137 5.419 1.00 0.00 C ATOM 309 O GLY A 20 3.280 -2.420 6.265 1.00 0.00 O ATOM 0 H GLY A 20 1.356 -2.702 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.967 -5.027 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.373 -3.948 3.463 1.00 0.00 H new ATOM 313 N LYS A 21 5.095 -3.221 5.284 1.00 0.00 N ATOM 314 CA LYS A 21 6.012 -2.443 6.170 1.00 0.00 C ATOM 315 C LYS A 21 6.619 -1.275 5.396 1.00 0.00 C ATOM 316 O LYS A 21 7.058 -1.416 4.268 1.00 0.00 O ATOM 317 CB LYS A 21 7.119 -3.366 6.666 1.00 0.00 C ATOM 318 CG LYS A 21 8.049 -2.589 7.598 1.00 0.00 C ATOM 319 CD LYS A 21 9.051 -3.553 8.252 1.00 0.00 C ATOM 320 CE LYS A 21 10.119 -3.978 7.239 1.00 0.00 C ATOM 321 NZ LYS A 21 11.246 -4.633 7.958 1.00 0.00 N ATOM 0 H LYS A 21 5.564 -3.802 4.590 1.00 0.00 H new ATOM 0 HA LYS A 21 5.454 -2.047 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.689 -4.218 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.682 -3.764 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.582 -1.820 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.467 -2.078 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.523 -3.071 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.528 -4.432 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.691 -4.664 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.480 -3.110 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.973 -4.923 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.659 -3.964 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.895 -5.470 8.465 1.00 0.00 H new ATOM 335 N ILE A 22 6.637 -0.111 6.006 1.00 0.00 N ATOM 336 CA ILE A 22 7.198 1.096 5.337 1.00 0.00 C ATOM 337 C ILE A 22 8.583 1.412 5.900 1.00 0.00 C ATOM 338 O ILE A 22 8.784 1.476 7.103 1.00 0.00 O ATOM 339 CB ILE A 22 6.275 2.281 5.581 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.915 1.997 4.940 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.885 3.537 4.960 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.907 3.057 5.383 1.00 0.00 C ATOM 0 H ILE A 22 6.282 0.050 6.949 1.00 0.00 H new ATOM 0 HA ILE A 22 7.282 0.904 4.267 1.00 0.00 H new ATOM 0 HB ILE A 22 6.148 2.436 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.006 1.999 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.566 1.006 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.225 4.387 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.856 3.733 5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.010 3.389 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.939 2.853 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.807 3.033 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.255 4.042 5.072 1.00 0.00 H new ATOM 354 N THR A 23 9.537 1.617 5.026 1.00 0.00 N ATOM 355 CA THR A 23 10.926 1.938 5.464 1.00 0.00 C ATOM 356 C THR A 23 11.460 3.110 4.639 1.00 0.00 C ATOM 357 O THR A 23 10.928 3.449 3.595 1.00 0.00 O ATOM 358 CB THR A 23 11.829 0.723 5.241 1.00 0.00 C ATOM 359 OG1 THR A 23 12.207 0.668 3.873 1.00 0.00 O ATOM 360 CG2 THR A 23 11.079 -0.554 5.622 1.00 0.00 C ATOM 0 H THR A 23 9.408 1.574 4.015 1.00 0.00 H new ATOM 0 HA THR A 23 10.917 2.201 6.522 1.00 0.00 H new ATOM 0 HB THR A 23 12.720 0.810 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.787 -0.108 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.725 -1.417 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.790 -0.507 6.672 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.186 -0.650 5.004 1.00 0.00 H new ATOM 368 N GLY A 24 12.512 3.733 5.106 1.00 0.00 N ATOM 369 CA GLY A 24 13.106 4.890 4.367 1.00 0.00 C ATOM 370 C GLY A 24 12.582 6.204 4.959 1.00 0.00 C ATOM 371 O GLY A 24 13.270 6.889 5.695 1.00 0.00 O ATOM 0 H GLY A 24 12.989 3.488 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.193 4.858 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.850 4.829 3.309 1.00 0.00 H new ATOM 375 N ILE A 25 11.368 6.552 4.636 1.00 0.00 N ATOM 376 CA ILE A 25 10.764 7.813 5.164 1.00 0.00 C ATOM 377 C ILE A 25 11.620 9.018 4.774 1.00 0.00 C ATOM 378 O ILE A 25 12.785 9.119 5.112 1.00 0.00 O ATOM 379 CB ILE A 25 10.630 7.744 6.690 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.876 6.464 7.077 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.862 8.968 7.194 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.531 6.383 6.338 1.00 0.00 C ATOM 0 H ILE A 25 10.759 6.012 4.021 1.00 0.00 H new ATOM 0 HA ILE A 25 9.772 7.927 4.726 1.00 0.00 H new ATOM 0 HB ILE A 25 11.621 7.732 7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.483 5.591 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.707 6.447 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.768 8.917 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.401 9.874 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.869 8.985 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.012 5.469 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.919 7.246 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.707 6.377 5.262 1.00 0.00 H new ATOM 394 N HIS A 26 11.035 9.942 4.056 1.00 0.00 N ATOM 395 CA HIS A 26 11.783 11.158 3.621 1.00 0.00 C ATOM 396 C HIS A 26 10.838 12.361 3.651 1.00 0.00 C ATOM 397 O HIS A 26 9.688 12.270 3.263 1.00 0.00 O ATOM 398 CB HIS A 26 12.313 10.950 2.198 1.00 0.00 C ATOM 399 CG HIS A 26 13.545 10.089 2.243 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.522 8.747 1.898 1.00 0.00 N ATOM 401 CD2 HIS A 26 14.842 10.365 2.594 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.772 8.270 2.046 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.616 9.213 2.469 1.00 0.00 N ATOM 0 H HIS A 26 10.063 9.905 3.750 1.00 0.00 H new ATOM 0 HA HIS A 26 12.623 11.337 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.549 10.479 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.545 11.912 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.208 11.328 2.918 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.057 7.248 1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.613 9.112 2.660 1.00 0.00 H new ATOM 411 N LYS A 27 11.317 13.489 4.111 1.00 0.00 N ATOM 412 CA LYS A 27 10.456 14.709 4.181 1.00 0.00 C ATOM 413 C LYS A 27 10.828 15.675 3.054 1.00 0.00 C ATOM 414 O LYS A 27 11.984 15.996 2.846 1.00 0.00 O ATOM 415 CB LYS A 27 10.674 15.394 5.527 1.00 0.00 C ATOM 416 CG LYS A 27 9.693 16.559 5.673 1.00 0.00 C ATOM 417 CD LYS A 27 9.754 17.115 7.102 1.00 0.00 C ATOM 418 CE LYS A 27 11.072 17.866 7.324 1.00 0.00 C ATOM 419 NZ LYS A 27 10.973 18.680 8.569 1.00 0.00 N ATOM 0 H LYS A 27 12.273 13.618 4.443 1.00 0.00 H new ATOM 0 HA LYS A 27 9.410 14.422 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.530 14.680 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.699 15.757 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.937 17.344 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.681 16.224 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.912 17.785 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.666 16.300 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.898 17.159 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.285 18.510 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.866 19.191 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.195 19.364 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.789 18.054 9.379 1.00 0.00 H new ATOM 433 N LYS A 28 9.848 16.140 2.326 1.00 0.00 N ATOM 434 CA LYS A 28 10.116 17.086 1.203 1.00 0.00 C ATOM 435 C LYS A 28 8.979 18.100 1.112 1.00 0.00 C ATOM 436 O LYS A 28 7.924 17.919 1.693 1.00 0.00 O ATOM 437 CB LYS A 28 10.214 16.314 -0.113 1.00 0.00 C ATOM 438 CG LYS A 28 11.502 15.493 -0.125 1.00 0.00 C ATOM 439 CD LYS A 28 11.609 14.730 -1.446 1.00 0.00 C ATOM 440 CE LYS A 28 12.923 13.947 -1.480 1.00 0.00 C ATOM 441 NZ LYS A 28 12.792 12.719 -0.644 1.00 0.00 N ATOM 0 H LYS A 28 8.865 15.903 2.462 1.00 0.00 H new ATOM 0 HA LYS A 28 11.057 17.605 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.351 15.658 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.203 17.006 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.364 16.148 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.508 14.795 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.765 14.049 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.566 15.426 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.171 13.676 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.738 14.568 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.541 12.709 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.862 12.714 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.881 11.877 -1.248 1.00 0.00 H new ATOM 455 N GLU A 29 9.188 19.170 0.387 1.00 0.00 N ATOM 456 CA GLU A 29 8.133 20.224 0.240 1.00 0.00 C ATOM 457 C GLU A 29 7.765 20.393 -1.232 1.00 0.00 C ATOM 458 O GLU A 29 8.590 20.242 -2.116 1.00 0.00 O ATOM 459 CB GLU A 29 8.665 21.545 0.789 1.00 0.00 C ATOM 460 CG GLU A 29 8.787 21.439 2.308 1.00 0.00 C ATOM 461 CD GLU A 29 9.390 22.729 2.866 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.698 23.606 2.078 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.527 22.817 4.076 1.00 0.00 O ATOM 0 H GLU A 29 10.054 19.362 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 29 7.244 19.925 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.636 21.772 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.994 22.361 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.806 21.263 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.414 20.588 2.574 1.00 0.00 H new ATOM 470 N TYR A 30 6.523 20.700 -1.506 1.00 0.00 N ATOM 471 CA TYR A 30 6.082 20.871 -2.921 1.00 0.00 C ATOM 472 C TYR A 30 5.071 22.013 -3.015 1.00 0.00 C ATOM 473 O TYR A 30 4.500 22.444 -2.029 1.00 0.00 O ATOM 474 CB TYR A 30 5.435 19.575 -3.417 1.00 0.00 C ATOM 475 CG TYR A 30 4.159 19.302 -2.645 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.219 18.925 -1.296 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.915 19.414 -3.283 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.038 18.667 -0.587 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.736 19.153 -2.574 1.00 0.00 C ATOM 480 CZ TYR A 30 1.797 18.777 -1.228 1.00 0.00 C ATOM 481 OH TYR A 30 0.635 18.518 -0.531 1.00 0.00 O ATOM 0 H TYR A 30 5.793 20.840 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 30 6.948 21.106 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.216 19.653 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.128 18.743 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.176 18.833 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.866 19.702 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.084 18.383 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.779 19.242 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 30 0.424 17.563 -0.590 1.00 0.00 H new ATOM 491 N GLU A 31 4.849 22.507 -4.203 1.00 0.00 N ATOM 492 CA GLU A 31 3.883 23.625 -4.394 1.00 0.00 C ATOM 493 C GLU A 31 2.476 23.061 -4.609 1.00 0.00 C ATOM 494 O GLU A 31 2.199 22.410 -5.602 1.00 0.00 O ATOM 495 CB GLU A 31 4.295 24.434 -5.631 1.00 0.00 C ATOM 496 CG GLU A 31 5.619 25.162 -5.354 1.00 0.00 C ATOM 497 CD GLU A 31 6.798 24.207 -5.574 1.00 0.00 C ATOM 498 OE1 GLU A 31 6.552 23.032 -5.797 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.927 24.659 -5.481 1.00 0.00 O ATOM 0 H GLU A 31 5.301 22.180 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 31 3.885 24.264 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.405 23.773 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.517 25.155 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.713 26.026 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.630 25.537 -4.331 1.00 0.00 H new ATOM 506 N SER A 32 1.582 23.314 -3.685 1.00 0.00 N ATOM 507 CA SER A 32 0.183 22.807 -3.813 1.00 0.00 C ATOM 508 C SER A 32 -0.772 23.979 -4.059 1.00 0.00 C ATOM 509 O SER A 32 -1.065 24.760 -3.172 1.00 0.00 O ATOM 510 CB SER A 32 -0.205 22.087 -2.523 1.00 0.00 C ATOM 511 OG SER A 32 -1.327 21.251 -2.776 1.00 0.00 O ATOM 0 H SER A 32 1.765 23.855 -2.840 1.00 0.00 H new ATOM 0 HA SER A 32 0.118 22.116 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.632 21.492 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.444 22.812 -1.745 1.00 0.00 H new ATOM 0 HG SER A 32 -1.580 20.785 -1.952 1.00 0.00 H new ATOM 517 N ASP A 33 -1.265 24.096 -5.262 1.00 0.00 N ATOM 518 CA ASP A 33 -2.212 25.202 -5.594 1.00 0.00 C ATOM 519 C ASP A 33 -1.596 26.563 -5.239 1.00 0.00 C ATOM 520 O ASP A 33 -2.291 27.519 -4.941 1.00 0.00 O ATOM 521 CB ASP A 33 -3.522 24.991 -4.825 1.00 0.00 C ATOM 522 CG ASP A 33 -4.591 25.946 -5.357 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.247 26.809 -6.147 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.738 25.790 -4.975 1.00 0.00 O ATOM 0 H ASP A 33 -1.051 23.468 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.415 25.193 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.856 23.959 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.362 25.165 -3.761 1.00 0.00 H new ATOM 529 N GLY A 34 -0.294 26.658 -5.280 1.00 0.00 N ATOM 530 CA GLY A 34 0.378 27.951 -4.952 1.00 0.00 C ATOM 531 C GLY A 34 0.680 28.012 -3.454 1.00 0.00 C ATOM 532 O GLY A 34 1.091 29.036 -2.932 1.00 0.00 O ATOM 0 H GLY A 34 0.336 25.894 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.302 28.046 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.261 28.786 -5.238 1.00 0.00 H new ATOM 536 N THR A 35 0.478 26.925 -2.756 1.00 0.00 N ATOM 537 CA THR A 35 0.749 26.895 -1.285 1.00 0.00 C ATOM 538 C THR A 35 1.750 25.779 -0.983 1.00 0.00 C ATOM 539 O THR A 35 1.573 24.641 -1.375 1.00 0.00 O ATOM 540 CB THR A 35 -0.553 26.640 -0.532 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.462 27.699 -0.803 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.273 26.580 0.970 1.00 0.00 C ATOM 0 H THR A 35 0.133 26.047 -3.145 1.00 0.00 H new ATOM 0 HA THR A 35 1.164 27.851 -0.966 1.00 0.00 H new ATOM 0 HB THR A 35 -0.984 25.693 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.302 27.540 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.204 26.398 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.429 25.773 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.156 27.527 1.298 1.00 0.00 H new ATOM 550 N THR A 36 2.808 26.103 -0.295 1.00 0.00 N ATOM 551 CA THR A 36 3.835 25.076 0.025 1.00 0.00 C ATOM 552 C THR A 36 3.313 24.115 1.095 1.00 0.00 C ATOM 553 O THR A 36 2.800 24.522 2.124 1.00 0.00 O ATOM 554 CB THR A 36 5.098 25.768 0.527 1.00 0.00 C ATOM 555 OG1 THR A 36 5.516 26.730 -0.430 1.00 0.00 O ATOM 556 CG2 THR A 36 6.206 24.735 0.729 1.00 0.00 C ATOM 0 H THR A 36 3.006 27.038 0.060 1.00 0.00 H new ATOM 0 HA THR A 36 4.060 24.505 -0.875 1.00 0.00 H new ATOM 0 HB THR A 36 4.889 26.261 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.327 27.178 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.107 25.233 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.884 23.995 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.418 24.239 -0.218 1.00 0.00 H new ATOM 564 N LYS A 37 3.446 22.836 0.858 1.00 0.00 N ATOM 565 CA LYS A 37 2.973 21.823 1.846 1.00 0.00 C ATOM 566 C LYS A 37 4.017 20.716 1.982 1.00 0.00 C ATOM 567 O LYS A 37 4.705 20.368 1.038 1.00 0.00 O ATOM 568 CB LYS A 37 1.650 21.222 1.373 1.00 0.00 C ATOM 569 CG LYS A 37 0.551 22.285 1.443 1.00 0.00 C ATOM 570 CD LYS A 37 -0.780 21.667 1.014 1.00 0.00 C ATOM 571 CE LYS A 37 -1.883 22.725 1.089 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.175 22.127 0.646 1.00 0.00 N ATOM 0 H LYS A 37 3.866 22.447 0.014 1.00 0.00 H new ATOM 0 HA LYS A 37 2.825 22.304 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.750 20.854 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.384 20.367 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.473 22.677 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.800 23.125 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.702 21.279 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.026 20.824 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.974 23.100 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.629 23.577 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.925 22.845 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.084 21.790 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.418 21.328 1.266 1.00 0.00 H new ATOM 586 N SER A 38 4.145 20.163 3.157 1.00 0.00 N ATOM 587 CA SER A 38 5.148 19.082 3.372 1.00 0.00 C ATOM 588 C SER A 38 4.592 17.735 2.891 1.00 0.00 C ATOM 589 O SER A 38 3.401 17.476 2.945 1.00 0.00 O ATOM 590 CB SER A 38 5.477 19.001 4.860 1.00 0.00 C ATOM 591 OG SER A 38 4.312 18.609 5.572 1.00 0.00 O ATOM 0 H SER A 38 3.597 20.414 3.980 1.00 0.00 H new ATOM 0 HA SER A 38 6.050 19.308 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.280 18.284 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.831 19.967 5.220 1.00 0.00 H new ATOM 0 HG SER A 38 4.517 18.553 6.529 1.00 0.00 H new ATOM 597 N VAL A 39 5.456 16.872 2.421 1.00 0.00 N ATOM 598 CA VAL A 39 5.003 15.539 1.929 1.00 0.00 C ATOM 599 C VAL A 39 5.991 14.462 2.377 1.00 0.00 C ATOM 600 O VAL A 39 7.195 14.644 2.334 1.00 0.00 O ATOM 601 CB VAL A 39 4.908 15.571 0.399 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.308 15.590 -0.224 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.157 14.332 -0.084 1.00 0.00 C ATOM 0 H VAL A 39 6.461 17.036 2.357 1.00 0.00 H new ATOM 0 HA VAL A 39 4.022 15.307 2.343 1.00 0.00 H new ATOM 0 HB VAL A 39 4.376 16.473 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.223 15.613 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.846 16.475 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.853 14.696 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.087 14.350 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.693 13.436 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.155 14.324 0.344 1.00 0.00 H new ATOM 613 N TYR A 40 5.486 13.334 2.807 1.00 0.00 N ATOM 614 CA TYR A 40 6.372 12.224 3.266 1.00 0.00 C ATOM 615 C TYR A 40 6.421 11.136 2.196 1.00 0.00 C ATOM 616 O TYR A 40 5.402 10.718 1.674 1.00 0.00 O ATOM 617 CB TYR A 40 5.812 11.637 4.559 1.00 0.00 C ATOM 618 CG TYR A 40 5.957 12.649 5.668 1.00 0.00 C ATOM 619 CD1 TYR A 40 4.998 13.658 5.825 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.051 12.580 6.537 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.136 14.597 6.854 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.189 13.519 7.566 1.00 0.00 C ATOM 623 CZ TYR A 40 6.233 14.529 7.724 1.00 0.00 C ATOM 624 OH TYR A 40 6.370 15.454 8.737 1.00 0.00 O ATOM 0 H TYR A 40 4.487 13.134 2.860 1.00 0.00 H new ATOM 0 HA TYR A 40 7.377 12.607 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.763 11.372 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.343 10.720 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.154 13.711 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.790 11.802 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.397 15.374 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.033 13.464 8.238 1.00 0.00 H new ATOM 0 HH TYR A 40 7.184 15.262 9.247 1.00 0.00 H new ATOM 634 N GLN A 41 7.601 10.672 1.868 1.00 0.00 N ATOM 635 CA GLN A 41 7.742 9.606 0.831 1.00 0.00 C ATOM 636 C GLN A 41 8.602 8.478 1.378 1.00 0.00 C ATOM 637 O GLN A 41 9.387 8.664 2.291 1.00 0.00 O ATOM 638 CB GLN A 41 8.410 10.187 -0.418 1.00 0.00 C ATOM 639 CG GLN A 41 7.460 11.179 -1.090 1.00 0.00 C ATOM 640 CD GLN A 41 8.142 11.808 -2.305 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.152 12.473 -2.175 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.628 11.622 -3.490 1.00 0.00 N ATOM 0 H GLN A 41 8.479 10.989 2.278 1.00 0.00 H new ATOM 0 HA GLN A 41 6.755 9.224 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.341 10.685 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.667 9.386 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.546 10.670 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.170 11.955 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.781 11.064 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.073 12.035 -4.310 1.00 0.00 H new ATOM 651 N GLY A 42 8.459 7.302 0.839 1.00 0.00 N ATOM 652 CA GLY A 42 9.273 6.163 1.343 1.00 0.00 C ATOM 653 C GLY A 42 8.999 4.916 0.510 1.00 0.00 C ATOM 654 O GLY A 42 8.442 4.982 -0.570 1.00 0.00 O ATOM 0 H GLY A 42 7.819 7.080 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.333 6.415 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.035 5.971 2.389 1.00 0.00 H new ATOM 658 N TYR A 43 9.407 3.773 1.006 1.00 0.00 N ATOM 659 CA TYR A 43 9.201 2.491 0.264 1.00 0.00 C ATOM 660 C TYR A 43 8.360 1.538 1.104 1.00 0.00 C ATOM 661 O TYR A 43 8.479 1.488 2.316 1.00 0.00 O ATOM 662 CB TYR A 43 10.557 1.849 -0.008 1.00 0.00 C ATOM 663 CG TYR A 43 11.355 2.735 -0.929 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.115 3.789 -0.408 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.334 2.503 -2.308 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.855 4.610 -1.269 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.074 3.322 -3.169 1.00 0.00 C ATOM 668 CZ TYR A 43 12.834 4.376 -2.649 1.00 0.00 C ATOM 669 OH TYR A 43 13.563 5.184 -3.498 1.00 0.00 O ATOM 0 H TYR A 43 9.880 3.674 1.904 1.00 0.00 H new ATOM 0 HA TYR A 43 8.688 2.696 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.095 1.700 0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.422 0.865 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.131 3.969 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.746 1.691 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.442 5.423 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.058 3.141 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 43 13.439 4.884 -4.423 1.00 0.00 H new ATOM 679 N ILE A 44 7.509 0.775 0.467 1.00 0.00 N ATOM 680 CA ILE A 44 6.649 -0.190 1.211 1.00 0.00 C ATOM 681 C ILE A 44 6.726 -1.543 0.520 1.00 0.00 C ATOM 682 O ILE A 44 6.660 -1.634 -0.691 1.00 0.00 O ATOM 683 CB ILE A 44 5.205 0.313 1.233 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.373 -0.592 2.144 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.617 0.294 -0.183 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.012 0.053 2.398 1.00 0.00 C ATOM 0 H ILE A 44 7.373 0.780 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 44 6.996 -0.285 2.240 1.00 0.00 H new ATOM 0 HB ILE A 44 5.186 1.336 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.243 -1.570 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.893 -0.752 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.589 0.654 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.210 0.939 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.634 -0.725 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.419 -0.592 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.152 1.021 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.492 0.190 1.450 1.00 0.00 H new ATOM 698 N GLU A 45 6.895 -2.601 1.277 1.00 0.00 N ATOM 699 CA GLU A 45 7.011 -3.958 0.653 1.00 0.00 C ATOM 700 C GLU A 45 6.245 -4.991 1.472 1.00 0.00 C ATOM 701 O GLU A 45 6.036 -4.841 2.660 1.00 0.00 O ATOM 702 CB GLU A 45 8.490 -4.363 0.583 1.00 0.00 C ATOM 703 CG GLU A 45 9.075 -4.456 1.996 1.00 0.00 C ATOM 704 CD GLU A 45 10.568 -4.783 1.911 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.032 -5.058 0.819 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.222 -4.744 2.942 1.00 0.00 O ATOM 0 H GLU A 45 6.957 -2.584 2.295 1.00 0.00 H new ATOM 0 HA GLU A 45 6.587 -3.919 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.589 -5.323 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.048 -3.633 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.928 -3.514 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.555 -5.226 2.566 1.00 0.00 H new ATOM 713 N ASP A 46 5.833 -6.053 0.838 1.00 0.00 N ATOM 714 CA ASP A 46 5.084 -7.117 1.572 1.00 0.00 C ATOM 715 C ASP A 46 5.298 -8.455 0.879 1.00 0.00 C ATOM 716 O ASP A 46 4.655 -8.749 -0.111 1.00 0.00 O ATOM 717 CB ASP A 46 3.593 -6.794 1.588 1.00 0.00 C ATOM 718 CG ASP A 46 3.084 -6.615 0.154 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.899 -6.627 -0.754 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.885 -6.462 -0.011 1.00 0.00 O ATOM 0 H ASP A 46 5.981 -6.232 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 46 5.451 -7.166 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.043 -7.596 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.415 -5.885 2.163 1.00 0.00 H new ATOM 725 N ASP A 47 6.201 -9.255 1.411 1.00 0.00 N ATOM 726 CA ASP A 47 6.525 -10.613 0.826 1.00 0.00 C ATOM 727 C ASP A 47 5.942 -10.755 -0.588 1.00 0.00 C ATOM 728 O ASP A 47 5.154 -11.637 -0.879 1.00 0.00 O ATOM 729 CB ASP A 47 5.968 -11.715 1.733 1.00 0.00 C ATOM 730 CG ASP A 47 4.441 -11.654 1.744 1.00 0.00 C ATOM 731 OD1 ASP A 47 3.908 -10.596 1.452 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.829 -12.663 2.057 1.00 0.00 O ATOM 0 H ASP A 47 6.741 -9.022 2.244 1.00 0.00 H new ATOM 0 HA ASP A 47 7.609 -10.710 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.300 -12.691 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.353 -11.595 2.746 1.00 0.00 H new ATOM 737 N THR A 48 6.331 -9.869 -1.458 1.00 0.00 N ATOM 738 CA THR A 48 5.825 -9.890 -2.854 1.00 0.00 C ATOM 739 C THR A 48 6.666 -8.922 -3.687 1.00 0.00 C ATOM 740 O THR A 48 7.240 -9.288 -4.694 1.00 0.00 O ATOM 741 CB THR A 48 4.360 -9.431 -2.868 1.00 0.00 C ATOM 742 OG1 THR A 48 3.638 -10.083 -1.832 1.00 0.00 O ATOM 743 CG2 THR A 48 3.735 -9.764 -4.223 1.00 0.00 C ATOM 0 H THR A 48 6.991 -9.118 -1.256 1.00 0.00 H new ATOM 0 HA THR A 48 5.893 -10.897 -3.265 1.00 0.00 H new ATOM 0 HB THR A 48 4.319 -8.354 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.659 -9.532 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.695 -9.438 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.284 -9.251 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.780 -10.840 -4.390 1.00 0.00 H new ATOM 751 N ALA A 49 6.742 -7.688 -3.273 1.00 0.00 N ATOM 752 CA ALA A 49 7.547 -6.697 -4.038 1.00 0.00 C ATOM 753 C ALA A 49 7.606 -5.385 -3.262 1.00 0.00 C ATOM 754 O ALA A 49 7.237 -5.325 -2.094 1.00 0.00 O ATOM 755 CB ALA A 49 6.909 -6.448 -5.406 1.00 0.00 C ATOM 0 H ALA A 49 6.282 -7.324 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 49 8.555 -7.088 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.505 -5.722 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.868 -7.383 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.899 -6.061 -5.271 1.00 0.00 H new ATOM 761 N ARG A 50 8.068 -4.332 -3.902 1.00 0.00 N ATOM 762 CA ARG A 50 8.170 -3.007 -3.221 1.00 0.00 C ATOM 763 C ARG A 50 7.734 -1.885 -4.165 1.00 0.00 C ATOM 764 O ARG A 50 7.887 -1.969 -5.372 1.00 0.00 O ATOM 765 CB ARG A 50 9.620 -2.770 -2.784 1.00 0.00 C ATOM 766 CG ARG A 50 10.550 -2.750 -4.005 1.00 0.00 C ATOM 767 CD ARG A 50 11.996 -2.545 -3.539 1.00 0.00 C ATOM 768 NE ARG A 50 12.898 -2.497 -4.727 1.00 0.00 N ATOM 769 CZ ARG A 50 14.183 -2.305 -4.585 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.702 -2.154 -3.397 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.950 -2.265 -5.637 1.00 0.00 N ATOM 0 H ARG A 50 8.379 -4.339 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 50 7.515 -3.008 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.695 -1.825 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.932 -3.554 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.463 -3.686 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.258 -1.950 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.078 -1.620 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.294 -3.356 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 50 12.507 -2.616 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.104 -2.185 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.706 -2.005 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.547 -2.383 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.953 -2.115 -5.531 1.00 0.00 H new ATOM 785 N ILE A 51 7.196 -0.823 -3.619 1.00 0.00 N ATOM 786 CA ILE A 51 6.755 0.318 -4.467 1.00 0.00 C ATOM 787 C ILE A 51 6.942 1.629 -3.704 1.00 0.00 C ATOM 788 O ILE A 51 6.915 1.669 -2.486 1.00 0.00 O ATOM 789 CB ILE A 51 5.284 0.151 -4.850 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.886 1.275 -5.813 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.412 0.222 -3.594 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.539 0.947 -6.455 1.00 0.00 C ATOM 0 H ILE A 51 7.044 -0.700 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 51 7.358 0.338 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 51 5.140 -0.816 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.824 2.222 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.648 1.394 -6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.365 0.103 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.699 -0.574 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.551 1.188 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.258 1.747 -7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.617 0.009 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.780 0.850 -5.679 1.00 0.00 H new ATOM 804 N ARG A 52 7.135 2.703 -4.417 1.00 0.00 N ATOM 805 CA ARG A 52 7.324 4.026 -3.759 1.00 0.00 C ATOM 806 C ARG A 52 5.976 4.572 -3.296 1.00 0.00 C ATOM 807 O ARG A 52 4.951 4.330 -3.910 1.00 0.00 O ATOM 808 CB ARG A 52 7.954 4.995 -4.752 1.00 0.00 C ATOM 809 CG ARG A 52 9.420 4.627 -4.949 1.00 0.00 C ATOM 810 CD ARG A 52 10.062 5.570 -5.968 1.00 0.00 C ATOM 811 NE ARG A 52 9.542 5.261 -7.331 1.00 0.00 N ATOM 812 CZ ARG A 52 9.963 4.204 -7.976 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.844 3.405 -7.434 1.00 0.00 N ATOM 814 NH2 ARG A 52 9.501 3.949 -9.163 1.00 0.00 N ATOM 0 H ARG A 52 7.170 2.721 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 52 7.977 3.910 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.425 4.954 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.869 6.018 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.950 4.689 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.502 3.596 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.842 6.606 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.146 5.460 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 52 8.854 5.878 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.208 3.604 -6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.168 2.582 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.814 4.572 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.826 3.126 -9.671 1.00 0.00 H new ATOM 828 N ILE A 53 5.969 5.302 -2.210 1.00 0.00 N ATOM 829 CA ILE A 53 4.694 5.869 -1.684 1.00 0.00 C ATOM 830 C ILE A 53 4.880 7.345 -1.353 1.00 0.00 C ATOM 831 O ILE A 53 5.985 7.814 -1.142 1.00 0.00 O ATOM 832 CB ILE A 53 4.286 5.101 -0.423 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.383 5.218 0.649 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.080 3.625 -0.779 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.884 4.595 1.955 1.00 0.00 C ATOM 0 H ILE A 53 6.799 5.530 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 53 3.914 5.774 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 53 3.361 5.523 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.289 4.713 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.642 6.265 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.789 3.072 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.295 3.538 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.008 3.213 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.660 4.676 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.990 5.120 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.647 3.544 1.790 1.00 0.00 H new ATOM 847 N SER A 54 3.798 8.079 -1.305 1.00 0.00 N ATOM 848 CA SER A 54 3.883 9.531 -0.984 1.00 0.00 C ATOM 849 C SER A 54 2.634 9.951 -0.218 1.00 0.00 C ATOM 850 O SER A 54 1.520 9.707 -0.644 1.00 0.00 O ATOM 851 CB SER A 54 3.983 10.335 -2.277 1.00 0.00 C ATOM 852 OG SER A 54 4.131 11.714 -1.963 1.00 0.00 O ATOM 0 H SER A 54 2.855 7.731 -1.476 1.00 0.00 H new ATOM 0 HA SER A 54 4.766 9.719 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.832 9.992 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.090 10.182 -2.884 1.00 0.00 H new ATOM 0 HG SER A 54 4.197 12.233 -2.792 1.00 0.00 H new ATOM 858 N SER A 55 2.816 10.584 0.917 1.00 0.00 N ATOM 859 CA SER A 55 1.652 11.029 1.745 1.00 0.00 C ATOM 860 C SER A 55 1.730 12.534 1.970 1.00 0.00 C ATOM 861 O SER A 55 2.789 13.088 2.203 1.00 0.00 O ATOM 862 CB SER A 55 1.683 10.302 3.090 1.00 0.00 C ATOM 863 OG SER A 55 2.417 11.081 4.028 1.00 0.00 O ATOM 0 H SER A 55 3.730 10.813 1.308 1.00 0.00 H new ATOM 0 HA SER A 55 0.722 10.794 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.668 10.138 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.143 9.321 2.976 1.00 0.00 H new ATOM 0 HG SER A 55 2.589 10.548 4.832 1.00 0.00 H new ATOM 869 N PHE A 56 0.611 13.205 1.886 1.00 0.00 N ATOM 870 CA PHE A 56 0.600 14.688 2.072 1.00 0.00 C ATOM 871 C PHE A 56 0.195 15.073 3.500 1.00 0.00 C ATOM 872 O PHE A 56 -0.908 14.808 3.946 1.00 0.00 O ATOM 873 CB PHE A 56 -0.388 15.302 1.085 1.00 0.00 C ATOM 874 CG PHE A 56 0.036 14.957 -0.325 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.147 15.589 -0.892 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.676 14.000 -1.060 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.543 15.274 -2.198 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.279 13.684 -2.366 1.00 0.00 C ATOM 879 CZ PHE A 56 0.834 14.318 -2.932 1.00 0.00 C ATOM 0 H PHE A 56 -0.300 12.788 1.696 1.00 0.00 H new ATOM 0 HA PHE A 56 1.607 15.065 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.393 14.926 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.422 16.384 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.700 16.321 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.530 13.506 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.396 15.769 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.831 12.952 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.145 14.069 -3.936 1.00 0.00 H new ATOM 889 N GLY A 57 1.084 15.727 4.209 1.00 0.00 N ATOM 890 CA GLY A 57 0.771 16.174 5.602 1.00 0.00 C ATOM 891 C GLY A 57 0.779 14.997 6.589 1.00 0.00 C ATOM 892 O GLY A 57 0.885 15.187 7.789 1.00 0.00 O ATOM 0 H GLY A 57 2.018 15.971 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.501 16.920 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.206 16.657 5.619 1.00 0.00 H new ATOM 896 N LYS A 58 0.652 13.791 6.116 1.00 0.00 N ATOM 897 CA LYS A 58 0.640 12.631 7.057 1.00 0.00 C ATOM 898 C LYS A 58 2.067 12.210 7.405 1.00 0.00 C ATOM 899 O LYS A 58 2.944 12.157 6.561 1.00 0.00 O ATOM 900 CB LYS A 58 -0.111 11.470 6.416 1.00 0.00 C ATOM 901 CG LYS A 58 -1.591 11.838 6.308 1.00 0.00 C ATOM 902 CD LYS A 58 -2.373 10.677 5.691 1.00 0.00 C ATOM 903 CE LYS A 58 -3.839 11.083 5.518 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.464 11.283 6.856 1.00 0.00 N ATOM 0 H LYS A 58 0.557 13.556 5.128 1.00 0.00 H new ATOM 0 HA LYS A 58 0.137 12.923 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.297 11.256 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.010 10.567 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.989 12.072 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.708 12.733 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.943 10.407 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.301 9.796 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.906 12.000 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.377 10.313 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.500 11.273 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.168 10.518 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.162 12.198 7.247 1.00 0.00 H new ATOM 918 N GLN A 59 2.302 11.914 8.657 1.00 0.00 N ATOM 919 CA GLN A 59 3.663 11.505 9.104 1.00 0.00 C ATOM 920 C GLN A 59 3.765 9.978 9.155 1.00 0.00 C ATOM 921 O GLN A 59 2.838 9.291 9.549 1.00 0.00 O ATOM 922 CB GLN A 59 3.925 12.082 10.490 1.00 0.00 C ATOM 923 CG GLN A 59 5.344 11.727 10.927 1.00 0.00 C ATOM 924 CD GLN A 59 5.669 12.433 12.244 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.024 13.400 12.606 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.648 11.988 12.982 1.00 0.00 N ATOM 0 H GLN A 59 1.599 11.939 9.396 1.00 0.00 H new ATOM 0 HA GLN A 59 4.404 11.882 8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.797 13.164 10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.203 11.685 11.204 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.438 10.648 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.057 12.025 10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.188 11.178 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.873 12.450 13.863 1.00 0.00 H new ATOM 935 N LEU A 60 4.890 9.445 8.750 1.00 0.00 N ATOM 936 CA LEU A 60 5.082 7.962 8.754 1.00 0.00 C ATOM 937 C LEU A 60 6.400 7.624 9.444 1.00 0.00 C ATOM 938 O LEU A 60 7.326 8.415 9.466 1.00 0.00 O ATOM 939 CB LEU A 60 5.124 7.460 7.312 1.00 0.00 C ATOM 940 CG LEU A 60 3.786 7.753 6.626 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.893 7.395 5.140 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.656 6.932 7.280 1.00 0.00 C ATOM 0 H LEU A 60 5.691 9.979 8.414 1.00 0.00 H new ATOM 0 HA LEU A 60 4.259 7.486 9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.936 7.946 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.326 6.389 7.295 1.00 0.00 H new ATOM 0 HG LEU A 60 3.553 8.812 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.943 7.602 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.679 7.992 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.133 6.337 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.712 7.151 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.878 5.869 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.579 7.195 8.335 1.00 0.00 H new ATOM 954 N GLN A 61 6.487 6.446 10.009 1.00 0.00 N ATOM 955 CA GLN A 61 7.734 6.019 10.712 1.00 0.00 C ATOM 956 C GLN A 61 8.389 4.863 9.954 1.00 0.00 C ATOM 957 O GLN A 61 7.745 4.131 9.224 1.00 0.00 O ATOM 958 CB GLN A 61 7.382 5.570 12.131 1.00 0.00 C ATOM 959 CG GLN A 61 7.000 6.791 12.968 1.00 0.00 C ATOM 960 CD GLN A 61 6.566 6.341 14.363 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.826 5.387 14.504 1.00 0.00 O ATOM 962 NE2 GLN A 61 6.997 6.994 15.406 1.00 0.00 N ATOM 0 H GLN A 61 5.737 5.754 10.013 1.00 0.00 H new ATOM 0 HA GLN A 61 8.432 6.855 10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.556 4.860 12.105 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.230 5.056 12.583 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.847 7.473 13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.191 7.338 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.618 7.794 15.286 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.713 6.705 16.342 1.00 0.00 H new ATOM 971 N ASP A 62 9.673 4.710 10.123 1.00 0.00 N ATOM 972 CA ASP A 62 10.411 3.621 9.422 1.00 0.00 C ATOM 973 C ASP A 62 10.046 2.249 10.001 1.00 0.00 C ATOM 974 O ASP A 62 9.748 2.103 11.174 1.00 0.00 O ATOM 975 CB ASP A 62 11.916 3.854 9.575 1.00 0.00 C ATOM 976 CG ASP A 62 12.380 4.926 8.584 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.503 4.607 7.415 1.00 0.00 O ATOM 978 OD2 ASP A 62 12.598 6.046 9.014 1.00 0.00 O ATOM 0 H ASP A 62 10.249 5.300 10.724 1.00 0.00 H new ATOM 0 HA ASP A 62 10.133 3.634 8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.143 4.166 10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.457 2.924 9.398 1.00 0.00 H new ATOM 983 N SER A 63 10.068 1.243 9.168 1.00 0.00 N ATOM 984 CA SER A 63 9.736 -0.134 9.627 1.00 0.00 C ATOM 985 C SER A 63 8.377 -0.122 10.329 1.00 0.00 C ATOM 986 O SER A 63 8.130 -0.866 11.262 1.00 0.00 O ATOM 987 CB SER A 63 10.823 -0.641 10.580 1.00 0.00 C ATOM 988 OG SER A 63 12.091 -0.224 10.100 1.00 0.00 O ATOM 0 H SER A 63 10.305 1.319 8.179 1.00 0.00 H new ATOM 0 HA SER A 63 9.687 -0.803 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.654 -0.252 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.786 -1.728 10.649 1.00 0.00 H new ATOM 0 HG SER A 63 12.792 -0.544 10.706 1.00 0.00 H new ATOM 994 N ASP A 64 7.489 0.730 9.884 1.00 0.00 N ATOM 995 CA ASP A 64 6.136 0.808 10.518 1.00 0.00 C ATOM 996 C ASP A 64 5.119 -0.023 9.723 1.00 0.00 C ATOM 997 O ASP A 64 4.815 0.266 8.578 1.00 0.00 O ATOM 998 CB ASP A 64 5.685 2.267 10.567 1.00 0.00 C ATOM 999 CG ASP A 64 4.485 2.410 11.509 1.00 0.00 C ATOM 1000 OD1 ASP A 64 4.296 1.537 12.340 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.776 3.395 11.384 1.00 0.00 O ATOM 0 H ASP A 64 7.641 1.375 9.109 1.00 0.00 H new ATOM 0 HA ASP A 64 6.195 0.406 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.505 2.899 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.416 2.608 9.567 1.00 0.00 H new ATOM 1006 N VAL A 65 4.606 -1.067 10.320 1.00 0.00 N ATOM 1007 CA VAL A 65 3.612 -1.927 9.615 1.00 0.00 C ATOM 1008 C VAL A 65 2.220 -1.331 9.756 1.00 0.00 C ATOM 1009 O VAL A 65 1.680 -1.214 10.845 1.00 0.00 O ATOM 1010 CB VAL A 65 3.654 -3.341 10.210 1.00 0.00 C ATOM 1011 CG1 VAL A 65 4.805 -4.133 9.582 1.00 0.00 C ATOM 1012 CG2 VAL A 65 3.872 -3.246 11.723 1.00 0.00 C ATOM 0 H VAL A 65 4.834 -1.361 11.270 1.00 0.00 H new ATOM 0 HA VAL A 65 3.858 -1.979 8.555 1.00 0.00 H new ATOM 0 HB VAL A 65 2.712 -3.848 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.831 -5.136 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.655 -4.200 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.749 -3.628 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.902 -4.248 12.150 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.815 -2.737 11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.054 -2.684 12.174 1.00 0.00 H new ATOM 1022 N VAL A 66 1.628 -0.957 8.653 1.00 0.00 N ATOM 1023 CA VAL A 66 0.262 -0.362 8.697 1.00 0.00 C ATOM 1024 C VAL A 66 -0.494 -0.724 7.421 1.00 0.00 C ATOM 1025 O VAL A 66 0.050 -1.326 6.504 1.00 0.00 O ATOM 1026 CB VAL A 66 0.350 1.168 8.824 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.298 1.542 9.964 1.00 0.00 C ATOM 1028 CG2 VAL A 66 0.878 1.767 7.517 1.00 0.00 C ATOM 0 H VAL A 66 2.034 -1.039 7.721 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.267 -0.759 9.563 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.645 1.562 9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.356 2.627 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.925 1.125 10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.290 1.141 9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.939 2.851 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.869 1.365 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.202 1.511 6.701 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.749 -0.354 7.355 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.578 -0.645 6.148 1.00 0.00 C ATOM 1040 C ARG A 67 -3.130 0.662 5.588 1.00 0.00 C ATOM 1041 O ARG A 67 -3.659 1.489 6.311 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.728 -1.578 6.523 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.606 -1.816 5.292 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.617 -2.931 5.574 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.556 -2.490 6.645 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.469 -3.305 7.106 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.585 -4.511 6.618 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.271 -2.907 8.052 1.00 0.00 N ATOM 0 H ARG A 67 -2.240 0.144 8.098 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.962 -1.131 5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.337 -2.525 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.320 -1.140 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.130 -0.898 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.984 -2.086 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.171 -3.173 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.098 -3.839 5.882 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.486 -1.545 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.961 -4.822 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.299 -5.142 6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.185 -1.963 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.985 -3.539 8.415 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.008 0.856 4.296 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.516 2.109 3.664 1.00 0.00 C ATOM 1064 C ILE A 68 -4.773 1.798 2.856 1.00 0.00 C ATOM 1065 O ILE A 68 -4.775 0.943 1.986 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.451 2.683 2.735 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.190 2.999 3.541 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.983 3.967 2.102 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.038 3.329 2.590 1.00 0.00 C ATOM 0 H ILE A 68 -2.575 0.195 3.651 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.750 2.835 4.442 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.211 1.959 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.375 3.840 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.924 2.147 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.228 4.384 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.886 3.745 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.216 4.689 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.858 3.553 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.154 2.475 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.304 4.194 1.983 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.842 2.498 3.137 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.124 2.276 2.406 1.00 0.00 C ATOM 1083 C ASP A 69 -7.421 3.492 1.533 1.00 0.00 C ATOM 1084 O ASP A 69 -7.001 4.601 1.833 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.259 2.091 3.414 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.140 0.719 4.078 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.367 -0.088 3.592 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.822 0.500 5.064 1.00 0.00 O ATOM 0 H ASP A 69 -5.880 3.224 3.852 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.040 1.386 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.219 2.876 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.222 2.180 2.912 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.137 3.278 0.454 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.482 4.390 -0.485 1.00 0.00 C ATOM 1095 C ASN A 70 -7.196 5.022 -1.031 1.00 0.00 C ATOM 1096 O ASN A 70 -7.122 6.212 -1.276 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.343 5.447 0.222 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.779 4.940 0.354 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -11.149 3.954 -0.256 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -11.613 5.582 1.124 1.00 0.00 N ATOM 0 H ASN A 70 -8.502 2.365 0.182 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.059 3.985 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.932 5.664 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.327 6.379 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.576 5.258 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.303 6.408 1.635 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.188 4.218 -1.240 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.906 4.745 -1.787 1.00 0.00 C ATOM 1109 C ALA A 71 -5.125 5.228 -3.223 1.00 0.00 C ATOM 1110 O ALA A 71 -5.887 4.643 -3.979 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.856 3.634 -1.782 1.00 0.00 C ATOM 0 H ALA A 71 -6.198 3.215 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.562 5.576 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.918 4.018 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.700 3.286 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.201 2.805 -2.399 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.458 6.293 -3.605 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.614 6.835 -4.988 1.00 0.00 C ATOM 1119 C ARG A 72 -3.372 6.495 -5.815 1.00 0.00 C ATOM 1120 O ARG A 72 -2.261 6.892 -5.504 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.798 8.350 -4.914 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.049 8.896 -6.318 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.371 10.392 -6.244 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.167 11.138 -5.775 1.00 0.00 N ATOM 1125 CZ ARG A 72 -4.239 12.415 -5.506 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.369 13.053 -5.650 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -3.180 13.052 -5.096 1.00 0.00 N ATOM 0 H ARG A 72 -3.809 6.811 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.487 6.389 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.636 8.595 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.911 8.815 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.171 8.734 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.875 8.360 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.679 10.757 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.205 10.562 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.280 10.647 -5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.198 12.555 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.422 14.050 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.296 12.554 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.234 14.049 -4.886 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.557 5.745 -6.868 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.408 5.343 -7.727 1.00 0.00 C ATOM 1143 C VAL A 73 -2.175 6.389 -8.817 1.00 0.00 C ATOM 1144 O VAL A 73 -3.090 6.809 -9.503 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.714 3.993 -8.370 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.459 3.456 -9.056 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.168 3.009 -7.289 1.00 0.00 C ATOM 0 H VAL A 73 -4.464 5.391 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.509 5.267 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.505 4.113 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.679 2.492 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.136 4.158 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.665 3.334 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.387 2.044 -7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.376 2.890 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.064 3.392 -6.801 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.952 6.810 -8.984 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.641 7.824 -10.025 1.00 0.00 C ATOM 1159 C ALA A 74 0.808 7.642 -10.481 1.00 0.00 C ATOM 1160 O ALA A 74 1.634 7.085 -9.774 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.830 9.232 -9.451 1.00 0.00 C ATOM 0 H ALA A 74 -0.151 6.492 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.312 7.695 -10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.601 9.972 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.862 9.356 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.161 9.371 -8.601 1.00 0.00 H new ATOM 1167 N GLN A 75 1.124 8.110 -11.661 1.00 0.00 N ATOM 1168 CA GLN A 75 2.514 7.972 -12.185 1.00 0.00 C ATOM 1169 C GLN A 75 3.264 9.292 -12.007 1.00 0.00 C ATOM 1170 O GLN A 75 2.824 10.339 -12.451 1.00 0.00 O ATOM 1171 CB GLN A 75 2.457 7.625 -13.671 1.00 0.00 C ATOM 1172 CG GLN A 75 3.875 7.372 -14.192 1.00 0.00 C ATOM 1173 CD GLN A 75 3.824 7.009 -15.677 1.00 0.00 C ATOM 1174 OE1 GLN A 75 3.376 7.794 -16.495 1.00 0.00 O ATOM 1175 NE2 GLN A 75 4.271 5.847 -16.064 1.00 0.00 N ATOM 0 H GLN A 75 0.474 8.585 -12.287 1.00 0.00 H new ATOM 0 HA GLN A 75 3.031 7.184 -11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.838 6.741 -13.825 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.994 8.439 -14.228 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.490 8.260 -14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.341 6.565 -13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.646 5.191 -15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.246 5.594 -17.052 1.00 0.00 H new ATOM 1184 N PHE A 76 4.402 9.245 -11.360 1.00 0.00 N ATOM 1185 CA PHE A 76 5.215 10.481 -11.136 1.00 0.00 C ATOM 1186 C PHE A 76 6.543 10.354 -11.877 1.00 0.00 C ATOM 1187 O PHE A 76 7.207 9.337 -11.800 1.00 0.00 O ATOM 1188 CB PHE A 76 5.486 10.639 -9.641 1.00 0.00 C ATOM 1189 CG PHE A 76 4.223 11.087 -8.948 1.00 0.00 C ATOM 1190 CD1 PHE A 76 3.877 12.442 -8.939 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.399 10.148 -8.318 1.00 0.00 C ATOM 1192 CE1 PHE A 76 2.704 12.859 -8.299 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.227 10.565 -7.678 1.00 0.00 C ATOM 1194 CZ PHE A 76 1.878 11.921 -7.669 1.00 0.00 C ATOM 0 H PHE A 76 4.807 8.393 -10.973 1.00 0.00 H new ATOM 0 HA PHE A 76 4.671 11.350 -11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.829 9.694 -9.220 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.281 11.367 -9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.514 13.166 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.668 9.102 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.436 13.905 -8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.591 9.841 -7.191 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.972 12.243 -7.176 1.00 0.00 H new ATOM 1204 N ASN A 77 6.922 11.383 -12.590 1.00 0.00 N ATOM 1205 CA ASN A 77 8.207 11.359 -13.355 1.00 0.00 C ATOM 1206 C ASN A 77 8.110 10.348 -14.504 1.00 0.00 C ATOM 1207 O ASN A 77 8.198 10.694 -15.668 1.00 0.00 O ATOM 1208 CB ASN A 77 9.372 10.970 -12.430 1.00 0.00 C ATOM 1209 CG ASN A 77 9.190 11.629 -11.063 1.00 0.00 C ATOM 1210 OD1 ASN A 77 8.600 11.051 -10.169 1.00 0.00 O ATOM 1211 ND2 ASN A 77 9.677 12.822 -10.858 1.00 0.00 N ATOM 0 H ASN A 77 6.390 12.249 -12.676 1.00 0.00 H new ATOM 0 HA ASN A 77 8.390 12.355 -13.759 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.414 9.886 -12.319 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.319 11.282 -12.871 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.563 13.270 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.172 13.307 -11.607 1.00 0.00 H new ATOM 1218 N GLY A 78 7.942 9.103 -14.177 1.00 0.00 N ATOM 1219 CA GLY A 78 7.846 8.050 -15.222 1.00 0.00 C ATOM 1220 C GLY A 78 7.742 6.690 -14.533 1.00 0.00 C ATOM 1221 O GLY A 78 8.175 5.676 -15.055 1.00 0.00 O ATOM 0 H GLY A 78 7.866 8.764 -13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.975 8.222 -15.854 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.721 8.080 -15.871 1.00 0.00 H new ATOM 1225 N TYR A 79 7.183 6.660 -13.352 1.00 0.00 N ATOM 1226 CA TYR A 79 7.054 5.367 -12.614 1.00 0.00 C ATOM 1227 C TYR A 79 5.770 5.371 -11.779 1.00 0.00 C ATOM 1228 O TYR A 79 5.254 6.410 -11.413 1.00 0.00 O ATOM 1229 CB TYR A 79 8.258 5.165 -11.690 1.00 0.00 C ATOM 1230 CG TYR A 79 8.351 6.310 -10.705 1.00 0.00 C ATOM 1231 CD1 TYR A 79 7.525 6.336 -9.572 1.00 0.00 C ATOM 1232 CD2 TYR A 79 9.268 7.347 -10.926 1.00 0.00 C ATOM 1233 CE1 TYR A 79 7.619 7.399 -8.664 1.00 0.00 C ATOM 1234 CE2 TYR A 79 9.359 8.406 -10.016 1.00 0.00 C ATOM 1235 CZ TYR A 79 8.535 8.433 -8.885 1.00 0.00 C ATOM 1236 OH TYR A 79 8.628 9.479 -7.988 1.00 0.00 O ATOM 0 H TYR A 79 6.810 7.475 -12.865 1.00 0.00 H new ATOM 0 HA TYR A 79 7.016 4.553 -13.338 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.162 4.220 -11.155 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.173 5.106 -12.279 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.818 5.538 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.904 7.329 -11.799 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.983 7.420 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.066 9.204 -10.187 1.00 0.00 H new ATOM 0 HH TYR A 79 8.646 10.328 -8.477 1.00 0.00 H new ATOM 1246 N LEU A 80 5.252 4.210 -11.481 1.00 0.00 N ATOM 1247 CA LEU A 80 3.996 4.121 -10.682 1.00 0.00 C ATOM 1248 C LEU A 80 4.291 4.227 -9.184 1.00 0.00 C ATOM 1249 O LEU A 80 5.303 3.758 -8.695 1.00 0.00 O ATOM 1250 CB LEU A 80 3.319 2.778 -10.958 1.00 0.00 C ATOM 1251 CG LEU A 80 3.005 2.649 -12.453 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.388 1.273 -12.726 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.023 3.753 -12.881 1.00 0.00 C ATOM 0 H LEU A 80 5.648 3.312 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 80 3.344 4.946 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.969 1.962 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.401 2.698 -10.376 1.00 0.00 H new ATOM 0 HG LEU A 80 3.927 2.755 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.164 1.179 -13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.092 0.494 -12.433 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.469 1.166 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.805 3.654 -13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.099 3.659 -12.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.468 4.730 -12.691 1.00 0.00 H new ATOM 1265 N SER A 81 3.398 4.834 -8.450 1.00 0.00 N ATOM 1266 CA SER A 81 3.598 4.964 -6.982 1.00 0.00 C ATOM 1267 C SER A 81 2.237 5.185 -6.316 1.00 0.00 C ATOM 1268 O SER A 81 1.260 5.514 -6.967 1.00 0.00 O ATOM 1269 CB SER A 81 4.526 6.142 -6.682 1.00 0.00 C ATOM 1270 OG SER A 81 4.261 6.624 -5.370 1.00 0.00 O ATOM 0 H SER A 81 2.536 5.246 -8.807 1.00 0.00 H new ATOM 0 HA SER A 81 4.056 4.055 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.567 5.830 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.372 6.937 -7.412 1.00 0.00 H new ATOM 0 HG SER A 81 4.456 5.920 -4.717 1.00 0.00 H new ATOM 1276 N LEU A 82 2.158 4.999 -5.023 1.00 0.00 N ATOM 1277 CA LEU A 82 0.856 5.184 -4.308 1.00 0.00 C ATOM 1278 C LEU A 82 0.842 6.541 -3.607 1.00 0.00 C ATOM 1279 O LEU A 82 1.761 6.897 -2.892 1.00 0.00 O ATOM 1280 CB LEU A 82 0.696 4.080 -3.264 1.00 0.00 C ATOM 1281 CG LEU A 82 0.820 2.706 -3.936 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.760 1.614 -2.863 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.330 2.503 -4.933 1.00 0.00 C ATOM 0 H LEU A 82 2.941 4.726 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 82 0.038 5.138 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.456 4.186 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.273 4.169 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 82 1.769 2.651 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.848 0.635 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.580 1.752 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.190 1.677 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.234 1.525 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.283 2.559 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.291 3.280 -5.696 1.00 0.00 H new ATOM 1295 N SER A 83 -0.206 7.299 -3.808 1.00 0.00 N ATOM 1296 CA SER A 83 -0.319 8.642 -3.169 1.00 0.00 C ATOM 1297 C SER A 83 -1.405 8.601 -2.095 1.00 0.00 C ATOM 1298 O SER A 83 -2.551 8.272 -2.355 1.00 0.00 O ATOM 1299 CB SER A 83 -0.681 9.672 -4.236 1.00 0.00 C ATOM 1300 OG SER A 83 0.373 9.745 -5.187 1.00 0.00 O ATOM 0 H SER A 83 -0.998 7.039 -4.396 1.00 0.00 H new ATOM 0 HA SER A 83 0.629 8.917 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.613 9.393 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.842 10.648 -3.778 1.00 0.00 H new ATOM 0 HG SER A 83 0.083 10.279 -5.956 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.048 8.929 -0.881 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.037 8.916 0.236 1.00 0.00 C ATOM 1308 C VAL A 84 -2.541 10.342 0.476 1.00 0.00 C ATOM 1309 O VAL A 84 -1.818 11.212 0.943 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.356 8.376 1.491 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.396 8.145 2.582 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.661 7.054 1.157 1.00 0.00 C ATOM 0 H VAL A 84 -0.104 9.208 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.885 8.279 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.620 9.098 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.906 7.760 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.892 9.087 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.135 7.423 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.173 6.664 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.399 6.334 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.085 7.221 0.380 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.782 10.584 0.141 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.370 11.945 0.309 1.00 0.00 C ATOM 1324 C GLY A 85 -5.076 12.070 1.661 1.00 0.00 C ATOM 1325 O GLY A 85 -5.044 11.179 2.487 1.00 0.00 O ATOM 0 H GLY A 85 -4.419 9.888 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.585 12.697 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.078 12.142 -0.496 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.721 13.184 1.882 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.448 13.402 3.167 1.00 0.00 C ATOM 1331 C ASP A 86 -7.701 12.517 3.228 1.00 0.00 C ATOM 1332 O ASP A 86 -8.248 12.265 4.286 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.864 14.870 3.250 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.628 15.745 3.462 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.584 15.197 3.768 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.747 16.952 3.310 1.00 0.00 O ATOM 0 H ASP A 86 -5.776 13.959 1.222 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.795 13.143 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.377 15.165 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.568 15.013 4.070 1.00 0.00 H new ATOM 1341 N SER A 87 -8.167 12.039 2.106 1.00 0.00 N ATOM 1342 CA SER A 87 -9.384 11.173 2.116 1.00 0.00 C ATOM 1343 C SER A 87 -8.967 9.727 2.408 1.00 0.00 C ATOM 1344 O SER A 87 -9.790 8.854 2.620 1.00 0.00 O ATOM 1345 CB SER A 87 -10.062 11.239 0.741 1.00 0.00 C ATOM 1346 OG SER A 87 -9.979 12.565 0.239 1.00 0.00 O ATOM 0 H SER A 87 -7.761 12.209 1.186 1.00 0.00 H new ATOM 0 HA SER A 87 -10.078 11.518 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.580 10.546 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.105 10.933 0.822 1.00 0.00 H new ATOM 0 HG SER A 87 -10.410 12.610 -0.640 1.00 0.00 H new ATOM 1352 N SER A 88 -7.689 9.471 2.413 1.00 0.00 N ATOM 1353 CA SER A 88 -7.206 8.089 2.672 1.00 0.00 C ATOM 1354 C SER A 88 -7.233 7.787 4.166 1.00 0.00 C ATOM 1355 O SER A 88 -7.303 8.678 4.992 1.00 0.00 O ATOM 1356 CB SER A 88 -5.779 7.942 2.154 1.00 0.00 C ATOM 1357 OG SER A 88 -5.328 6.614 2.398 1.00 0.00 O ATOM 0 H SER A 88 -6.957 10.162 2.248 1.00 0.00 H new ATOM 0 HA SER A 88 -7.862 7.387 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.742 8.161 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.124 8.658 2.649 1.00 0.00 H new ATOM 0 HG SER A 88 -5.936 5.978 1.966 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.176 6.527 4.519 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.195 6.143 5.965 1.00 0.00 C ATOM 1365 C ARG A 89 -6.041 5.184 6.250 1.00 0.00 C ATOM 1366 O ARG A 89 -5.782 4.262 5.497 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.520 5.456 6.291 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.587 5.144 7.790 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.876 4.384 8.101 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.053 5.264 7.845 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.474 6.093 8.764 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -10.863 6.167 9.916 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.507 6.850 8.527 1.00 0.00 N ATOM 0 H ARG A 89 -7.117 5.745 3.866 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.087 7.036 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.353 6.098 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.615 4.536 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.723 4.550 8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.551 6.069 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.939 3.488 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.874 4.056 9.140 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.533 5.219 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.053 5.576 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.196 6.816 10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.984 6.795 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.839 7.498 9.241 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.350 5.392 7.343 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.209 4.501 7.710 1.00 0.00 C ATOM 1389 C ILE A 90 -4.540 3.776 9.010 1.00 0.00 C ATOM 1390 O ILE A 90 -4.942 4.383 9.988 1.00 0.00 O ATOM 1391 CB ILE A 90 -2.946 5.333 7.908 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.564 5.992 6.582 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.807 4.421 8.376 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.465 7.028 6.820 1.00 0.00 C ATOM 0 H ILE A 90 -5.530 6.149 8.002 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.043 3.778 6.911 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.125 6.103 8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.219 5.237 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.437 6.469 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.903 5.012 8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.083 3.948 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.624 3.653 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.195 7.496 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.826 7.790 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.589 6.538 7.246 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.368 2.479 9.027 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.663 1.681 10.255 1.00 0.00 C ATOM 1408 C GLU A 91 -3.391 0.961 10.702 1.00 0.00 C ATOM 1409 O GLU A 91 -2.694 0.347 9.916 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.761 0.663 9.954 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.095 -0.107 11.234 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.235 -1.089 10.966 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.890 -0.942 9.948 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.433 -1.970 11.784 1.00 0.00 O ATOM 0 H GLU A 91 -4.032 1.933 8.234 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.004 2.343 11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.650 1.169 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.432 -0.026 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.215 -0.645 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.380 0.588 12.024 1.00 0.00 H new ATOM 1421 N SER A 92 -3.086 1.051 11.966 1.00 0.00 N ATOM 1422 CA SER A 92 -1.860 0.401 12.501 1.00 0.00 C ATOM 1423 C SER A 92 -2.053 -1.110 12.595 1.00 0.00 C ATOM 1424 O SER A 92 -3.144 -1.597 12.842 1.00 0.00 O ATOM 1425 CB SER A 92 -1.573 0.962 13.892 1.00 0.00 C ATOM 1426 OG SER A 92 -0.995 2.252 13.762 1.00 0.00 O ATOM 0 H SER A 92 -3.641 1.553 12.658 1.00 0.00 H new ATOM 0 HA SER A 92 -1.025 0.604 11.830 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.494 1.019 14.472 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.897 0.300 14.433 1.00 0.00 H new ATOM 0 HG SER A 92 -0.810 2.619 14.652 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.990 -1.859 12.410 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.083 -3.345 12.499 1.00 0.00 C ATOM 1434 C VAL A 93 -0.137 -3.835 13.595 1.00 0.00 C ATOM 1435 O VAL A 93 1.017 -3.448 13.662 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.689 -3.963 11.161 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.547 -5.481 11.319 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.775 -3.656 10.128 1.00 0.00 C ATOM 0 H VAL A 93 -0.059 -1.499 12.200 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.105 -3.639 12.738 1.00 0.00 H new ATOM 0 HB VAL A 93 0.262 -3.545 10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.266 -5.922 10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.222 -5.699 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.497 -5.903 11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.500 -4.095 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.723 -4.077 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.877 -2.576 10.017 1.00 0.00 H new ATOM 1448 N ASN A 94 -0.623 -4.684 14.456 1.00 0.00 N ATOM 1449 CA ASN A 94 0.224 -5.209 15.561 1.00 0.00 C ATOM 1450 C ASN A 94 0.943 -6.483 15.112 1.00 0.00 C ATOM 1451 O ASN A 94 0.424 -7.273 14.341 1.00 0.00 O ATOM 1452 CB ASN A 94 -0.658 -5.506 16.776 1.00 0.00 C ATOM 1453 CG ASN A 94 -1.746 -6.515 16.402 1.00 0.00 C ATOM 1454 OD1 ASN A 94 -1.715 -7.102 15.335 1.00 0.00 O ATOM 1455 ND2 ASN A 94 -2.719 -6.743 17.247 1.00 0.00 N ATOM 0 H ASN A 94 -1.579 -5.039 14.441 1.00 0.00 H new ATOM 0 HA ASN A 94 0.972 -4.463 15.829 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -0.049 -5.901 17.589 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.114 -4.585 17.138 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -3.452 -7.412 17.012 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -2.744 -6.251 18.140 1.00 0.00 H new ATOM 1462 N VAL A 95 2.133 -6.681 15.598 1.00 0.00 N ATOM 1463 CA VAL A 95 2.914 -7.893 15.231 1.00 0.00 C ATOM 1464 C VAL A 95 2.480 -9.058 16.122 1.00 0.00 C ATOM 1465 O VAL A 95 1.752 -9.938 15.709 1.00 0.00 O ATOM 1466 CB VAL A 95 4.397 -7.608 15.452 1.00 0.00 C ATOM 1467 CG1 VAL A 95 5.223 -8.838 15.075 1.00 0.00 C ATOM 1468 CG2 VAL A 95 4.824 -6.420 14.588 1.00 0.00 C ATOM 0 H VAL A 95 2.605 -6.047 16.243 1.00 0.00 H new ATOM 0 HA VAL A 95 2.739 -8.150 14.186 1.00 0.00 H new ATOM 0 HB VAL A 95 4.564 -7.372 16.503 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.281 -8.629 15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.922 -9.682 15.695 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.056 -9.081 14.026 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.883 -6.217 14.746 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.652 -6.654 13.537 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.241 -5.541 14.864 1.00 0.00 H new ATOM 1478 N ASN A 96 2.935 -9.072 17.347 1.00 0.00 N ATOM 1479 CA ASN A 96 2.558 -10.179 18.276 1.00 0.00 C ATOM 1480 C ASN A 96 2.646 -9.693 19.728 1.00 0.00 C ATOM 1481 O ASN A 96 3.719 -9.537 20.282 1.00 0.00 O ATOM 1482 CB ASN A 96 3.505 -11.364 18.072 1.00 0.00 C ATOM 1483 CG ASN A 96 3.189 -12.049 16.740 1.00 0.00 C ATOM 1484 OD1 ASN A 96 4.087 -12.424 16.009 1.00 0.00 O ATOM 1485 ND2 ASN A 96 1.944 -12.233 16.391 1.00 0.00 N ATOM 0 H ASN A 96 3.552 -8.364 17.745 1.00 0.00 H new ATOM 0 HA ASN A 96 1.535 -10.492 18.065 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.540 -11.021 18.080 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.398 -12.074 18.892 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.725 -12.691 15.506 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.191 -11.919 17.003 1.00 0.00 H new ATOM 1492 N ILE A 97 1.516 -9.463 20.347 1.00 0.00 N ATOM 1493 CA ILE A 97 1.504 -8.992 21.766 1.00 0.00 C ATOM 1494 C ILE A 97 2.585 -7.919 21.982 1.00 0.00 C ATOM 1495 O ILE A 97 3.628 -8.184 22.547 1.00 0.00 O ATOM 1496 CB ILE A 97 1.758 -10.183 22.699 1.00 0.00 C ATOM 1497 CG1 ILE A 97 0.717 -11.272 22.417 1.00 0.00 C ATOM 1498 CG2 ILE A 97 1.633 -9.732 24.158 1.00 0.00 C ATOM 1499 CD1 ILE A 97 1.095 -12.558 23.158 1.00 0.00 C ATOM 0 H ILE A 97 0.594 -9.582 19.927 1.00 0.00 H new ATOM 0 HA ILE A 97 0.531 -8.555 21.989 1.00 0.00 H new ATOM 0 HB ILE A 97 2.761 -10.573 22.526 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.270 -10.935 22.735 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.659 -11.463 21.345 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.814 -10.580 24.818 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.366 -8.951 24.362 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.630 -9.343 24.334 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.351 -13.328 22.953 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.073 -12.899 22.819 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.130 -12.363 24.230 1.00 0.00 H new ATOM 1511 N PRO A 98 2.326 -6.712 21.535 1.00 0.00 N ATOM 1512 CA PRO A 98 3.281 -5.574 21.673 1.00 0.00 C ATOM 1513 C PRO A 98 3.632 -5.274 23.136 1.00 0.00 C ATOM 1514 O PRO A 98 2.817 -5.398 24.033 1.00 0.00 O ATOM 1515 CB PRO A 98 2.547 -4.379 21.026 1.00 0.00 C ATOM 1516 CG PRO A 98 1.489 -4.991 20.162 1.00 0.00 C ATOM 1517 CD PRO A 98 1.098 -6.306 20.839 1.00 0.00 C ATOM 0 HA PRO A 98 4.236 -5.796 21.197 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.110 -3.728 21.783 1.00 0.00 H new ATOM 0 HB3 PRO A 98 3.231 -3.768 20.438 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.628 -4.328 20.071 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.863 -5.168 19.154 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.270 -6.169 21.534 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.783 -7.054 20.111 1.00 0.00 H new ATOM 1525 N LEU A 99 4.849 -4.880 23.378 1.00 0.00 N ATOM 1526 CA LEU A 99 5.270 -4.567 24.770 1.00 0.00 C ATOM 1527 C LEU A 99 4.444 -3.380 25.293 1.00 0.00 C ATOM 1528 O LEU A 99 3.978 -3.365 26.418 1.00 0.00 O ATOM 1529 CB LEU A 99 6.763 -4.193 24.763 1.00 0.00 C ATOM 1530 CG LEU A 99 7.395 -4.497 26.128 1.00 0.00 C ATOM 1531 CD1 LEU A 99 8.896 -4.184 26.081 1.00 0.00 C ATOM 1532 CD2 LEU A 99 6.718 -3.662 27.228 1.00 0.00 C ATOM 0 H LEU A 99 5.573 -4.761 22.669 1.00 0.00 H new ATOM 0 HA LEU A 99 5.109 -5.431 25.415 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.281 -4.751 23.983 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.879 -3.135 24.529 1.00 0.00 H new ATOM 0 HG LEU A 99 7.254 -5.553 26.357 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.343 -4.400 27.051 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.372 -4.798 25.317 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.041 -3.130 25.842 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.177 -3.888 28.191 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.841 -2.602 27.008 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.656 -3.904 27.266 1.00 0.00 H new ATOM 1544 N GLU A 100 4.271 -2.380 24.477 1.00 0.00 N ATOM 1545 CA GLU A 100 3.499 -1.187 24.916 1.00 0.00 C ATOM 1546 C GLU A 100 2.092 -1.608 25.340 1.00 0.00 C ATOM 1547 O GLU A 100 1.436 -2.390 24.675 1.00 0.00 O ATOM 1548 CB GLU A 100 3.410 -0.178 23.766 1.00 0.00 C ATOM 1549 CG GLU A 100 4.812 0.334 23.417 1.00 0.00 C ATOM 1550 CD GLU A 100 5.388 1.115 24.604 1.00 0.00 C ATOM 1551 OE1 GLU A 100 4.616 1.525 25.451 1.00 0.00 O ATOM 1552 OE2 GLU A 100 6.599 1.279 24.645 1.00 0.00 O ATOM 0 H GLU A 100 4.631 -2.337 23.524 1.00 0.00 H new ATOM 0 HA GLU A 100 4.006 -0.725 25.763 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.956 -0.647 22.893 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.768 0.656 24.050 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.464 -0.504 23.170 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.767 0.974 22.536 1.00 0.00 H new ATOM 1559 N HIS A 101 1.624 -1.094 26.451 1.00 0.00 N ATOM 1560 CA HIS A 101 0.262 -1.455 26.946 1.00 0.00 C ATOM 1561 C HIS A 101 -0.691 -0.275 26.750 1.00 0.00 C ATOM 1562 O HIS A 101 -0.370 0.865 27.037 1.00 0.00 O ATOM 1563 CB HIS A 101 0.342 -1.817 28.430 1.00 0.00 C ATOM 1564 CG HIS A 101 1.130 -3.091 28.593 1.00 0.00 C ATOM 1565 ND1 HIS A 101 0.576 -4.338 28.346 1.00 0.00 N ATOM 1566 CD2 HIS A 101 2.426 -3.329 28.983 1.00 0.00 C ATOM 1567 CE1 HIS A 101 1.526 -5.261 28.588 1.00 0.00 C ATOM 1568 NE2 HIS A 101 2.674 -4.700 28.979 1.00 0.00 N ATOM 0 H HIS A 101 2.133 -0.435 27.040 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.114 -2.310 26.384 1.00 0.00 H new ATOM 0 HB2 HIS A 101 0.816 -1.009 28.988 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -0.660 -1.941 28.840 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.144 -2.568 29.252 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.378 -6.325 28.479 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.544 -5.173 29.222 1.00 0.00 H new ATOM 1576 N HIS A 102 -1.867 -0.553 26.262 1.00 0.00 N ATOM 1577 CA HIS A 102 -2.875 0.522 26.036 1.00 0.00 C ATOM 1578 C HIS A 102 -3.155 1.266 27.345 1.00 0.00 C ATOM 1579 O HIS A 102 -2.710 2.380 27.559 1.00 0.00 O ATOM 1580 CB HIS A 102 -4.167 -0.127 25.540 1.00 0.00 C ATOM 1581 CG HIS A 102 -3.910 -0.829 24.236 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -3.686 -0.134 23.059 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -3.832 -2.161 23.906 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -3.483 -1.040 22.085 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -3.561 -2.292 22.546 1.00 0.00 N ATOM 0 H HIS A 102 -2.177 -1.491 26.007 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.496 1.233 25.302 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.537 -0.837 26.280 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -4.940 0.630 25.411 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.961 -2.981 24.596 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.281 -0.786 21.055 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -3.447 -3.156 22.017 1.00 0.00 H new ATOM 1593 N HIS A 103 -3.910 0.658 28.221 1.00 0.00 N ATOM 1594 CA HIS A 103 -4.243 1.322 29.517 1.00 0.00 C ATOM 1595 C HIS A 103 -4.796 2.720 29.234 1.00 0.00 C ATOM 1596 O HIS A 103 -4.802 3.591 30.086 1.00 0.00 O ATOM 1597 CB HIS A 103 -2.993 1.415 30.397 1.00 0.00 C ATOM 1598 CG HIS A 103 -2.609 0.036 30.857 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -3.553 -0.898 31.264 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -1.392 -0.582 30.984 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -2.890 -2.018 31.611 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -1.571 -1.879 31.459 1.00 0.00 N ATOM 0 H HIS A 103 -4.311 -0.271 28.096 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.993 0.735 30.046 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -2.173 1.867 29.838 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -3.185 2.058 31.256 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.439 -0.131 30.751 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.367 -2.918 31.969 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.849 -2.574 31.650 1.00 0.00 H new ATOM 1610 N HIS A 104 -5.269 2.932 28.032 1.00 0.00 N ATOM 1611 CA HIS A 104 -5.836 4.263 27.658 1.00 0.00 C ATOM 1612 C HIS A 104 -4.937 5.379 28.201 1.00 0.00 C ATOM 1613 O HIS A 104 -3.818 5.564 27.758 1.00 0.00 O ATOM 1614 CB HIS A 104 -7.244 4.407 28.250 1.00 0.00 C ATOM 1615 CG HIS A 104 -8.207 3.548 27.482 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -8.348 2.192 27.731 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -9.088 3.838 26.471 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -9.282 1.720 26.886 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -9.767 2.681 26.095 1.00 0.00 N ATOM 0 H HIS A 104 -5.287 2.234 27.288 1.00 0.00 H new ATOM 0 HA HIS A 104 -5.889 4.338 26.572 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.239 4.115 29.300 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -7.561 5.449 28.211 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -9.233 4.815 26.033 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -9.601 0.689 26.851 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -10.480 2.588 25.372 1.00 0.00 H new ATOM 1627 N HIS A 105 -5.423 6.120 29.164 1.00 0.00 N ATOM 1628 CA HIS A 105 -4.622 7.224 29.766 1.00 0.00 C ATOM 1629 C HIS A 105 -4.584 7.030 31.284 1.00 0.00 C ATOM 1630 O HIS A 105 -4.007 7.814 32.015 1.00 0.00 O ATOM 1631 CB HIS A 105 -5.282 8.558 29.426 1.00 0.00 C ATOM 1632 CG HIS A 105 -5.180 8.792 27.943 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -3.971 9.062 27.323 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -6.122 8.795 26.941 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -4.213 9.217 26.008 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -5.508 9.065 25.722 1.00 0.00 N ATOM 0 H HIS A 105 -6.354 6.004 29.563 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.605 7.217 29.373 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.327 8.550 29.735 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.795 9.368 29.969 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.178 8.615 27.079 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -3.452 9.437 25.274 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.952 9.132 24.806 1.00 0.00 H new ATOM 1644 N HIS A 106 -5.189 5.977 31.765 1.00 0.00 N ATOM 1645 CA HIS A 106 -5.193 5.717 33.235 1.00 0.00 C ATOM 1646 C HIS A 106 -3.945 4.914 33.612 1.00 0.00 C ATOM 1647 O HIS A 106 -3.220 5.350 34.494 1.00 0.00 O ATOM 1648 CB HIS A 106 -6.444 4.915 33.604 1.00 0.00 C ATOM 1649 CG HIS A 106 -7.674 5.707 33.258 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -8.091 6.792 34.013 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -8.591 5.586 32.242 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -9.212 7.277 33.446 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -9.560 6.577 32.362 1.00 0.00 N ATOM 1654 OXT HIS A 106 -3.733 3.874 33.012 1.00 0.00 O ATOM 0 H HIS A 106 -5.682 5.284 31.202 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.194 6.664 33.774 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -6.449 3.965 33.070 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -6.437 4.682 34.669 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.564 4.835 31.467 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.762 8.127 33.821 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -10.363 6.735 31.754 1.00 0.00 H new TER 1662 HIS A 106