USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 753 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 51 SER OG : rot 136:sc= -2.36! USER MOD Set 1.2: A 52 HIS : no HD1:sc= -2.56! C(o=-4.9!,f=-6.3!) USER MOD Set 2.1: A 41 HIS : no HE2:sc= -0.0674 X(o=-0.4,f=-0.86) USER MOD Set 2.2: A 45 HIS :FLIP no HE2:sc= -0.329 F(o=-1.8,f=-0.4) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.0179 (180deg=-0.318) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -5.81! C(o=-5.8!,f=-18!) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0479) USER MOD Single : A 12 GLN : amide:sc= -7.86! C(o=-7.9!,f=-20!) USER MOD Single : A 21 THR OG1 : rot -150:sc= -1.51 USER MOD Single : A 23 SER OG : rot 180:sc= -0.302 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.17! C(o=-3.2!,f=-6.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=-0.21) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 152:sc= -3.77! (180deg=-9.45!) USER MOD Single : A 61 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.35) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.5! C(o=-4.5!,f=-7.3!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0.342 (180deg=0.334) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 71.345 -3.523 -15.827 1.00 0.00 N ATOM 37 CA THR A 3 71.584 -2.939 -17.179 1.00 0.00 C ATOM 38 C THR A 3 71.042 -1.510 -17.219 1.00 0.00 C ATOM 39 O THR A 3 71.587 -0.613 -16.610 1.00 0.00 O ATOM 40 CB THR A 3 70.923 -3.824 -18.249 1.00 0.00 C ATOM 41 OG1 THR A 3 70.860 -3.122 -19.484 1.00 0.00 O ATOM 42 CG2 THR A 3 69.516 -4.218 -17.796 1.00 0.00 C ATOM 0 HA THR A 3 72.653 -2.903 -17.388 1.00 0.00 H new ATOM 0 HB THR A 3 71.518 -4.727 -18.386 1.00 0.00 H new ATOM 0 HG1 THR A 3 70.440 -3.691 -20.162 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.051 -4.845 -18.557 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.577 -4.770 -16.858 1.00 0.00 H new ATOM 0 HG23 THR A 3 68.916 -3.320 -17.650 1.00 0.00 H new ATOM 50 N LYS A 4 69.995 -1.287 -17.933 1.00 0.00 N ATOM 51 CA LYS A 4 69.420 0.082 -18.024 1.00 0.00 C ATOM 52 C LYS A 4 68.948 0.543 -16.642 1.00 0.00 C ATOM 53 O LYS A 4 68.939 1.722 -16.345 1.00 0.00 O ATOM 54 CB LYS A 4 68.232 0.072 -18.990 1.00 0.00 C ATOM 55 CG LYS A 4 68.034 1.473 -19.570 1.00 0.00 C ATOM 56 CD LYS A 4 68.014 1.396 -21.098 1.00 0.00 C ATOM 57 CE LYS A 4 68.093 2.807 -21.683 1.00 0.00 C ATOM 58 NZ LYS A 4 66.907 3.594 -21.243 1.00 0.00 N ATOM 0 H LYS A 4 69.498 -1.999 -18.469 1.00 0.00 H new ATOM 0 HA LYS A 4 70.185 0.768 -18.389 1.00 0.00 H new ATOM 0 HB2 LYS A 4 68.409 -0.644 -19.793 1.00 0.00 H new ATOM 0 HB3 LYS A 4 67.329 -0.249 -18.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 67.100 1.900 -19.205 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.837 2.132 -19.239 1.00 0.00 H new ATOM 0 HD2 LYS A 4 68.852 0.797 -21.453 1.00 0.00 H new ATOM 0 HD3 LYS A 4 67.103 0.902 -21.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 69.010 3.297 -21.356 1.00 0.00 H new ATOM 0 HE3 LYS A 4 68.128 2.760 -22.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 66.841 4.466 -21.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 66.045 3.028 -21.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 67.006 3.838 -20.237 1.00 0.00 H new ATOM 72 N GLU A 5 68.545 -0.368 -15.797 1.00 0.00 N ATOM 73 CA GLU A 5 68.066 0.036 -14.448 1.00 0.00 C ATOM 74 C GLU A 5 69.236 0.127 -13.479 1.00 0.00 C ATOM 75 O GLU A 5 69.066 0.230 -12.280 1.00 0.00 O ATOM 76 CB GLU A 5 67.053 -0.984 -13.934 1.00 0.00 C ATOM 77 CG GLU A 5 65.635 -0.458 -14.160 1.00 0.00 C ATOM 78 CD GLU A 5 64.818 -1.503 -14.921 1.00 0.00 C ATOM 79 OE1 GLU A 5 65.193 -1.821 -16.037 1.00 0.00 O ATOM 80 OE2 GLU A 5 63.832 -1.969 -14.373 1.00 0.00 O ATOM 0 H GLU A 5 68.528 -1.371 -15.984 1.00 0.00 H new ATOM 0 HA GLU A 5 67.591 1.014 -14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.185 -1.935 -14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.217 -1.172 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 5 65.161 -0.237 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 5 65.667 0.475 -14.723 1.00 0.00 H new ATOM 87 N GLU A 6 70.415 0.110 -13.997 1.00 0.00 N ATOM 88 CA GLU A 6 71.618 0.217 -13.133 1.00 0.00 C ATOM 89 C GLU A 6 72.013 1.677 -12.983 1.00 0.00 C ATOM 90 O GLU A 6 72.961 2.023 -12.307 1.00 0.00 O ATOM 91 CB GLU A 6 72.767 -0.568 -13.752 1.00 0.00 C ATOM 92 CG GLU A 6 72.754 -2.000 -13.217 1.00 0.00 C ATOM 93 CD GLU A 6 74.071 -2.286 -12.496 1.00 0.00 C ATOM 94 OE1 GLU A 6 75.071 -2.452 -13.175 1.00 0.00 O ATOM 95 OE2 GLU A 6 74.058 -2.332 -11.277 1.00 0.00 O ATOM 0 H GLU A 6 70.608 0.026 -14.995 1.00 0.00 H new ATOM 0 HA GLU A 6 71.392 -0.195 -12.150 1.00 0.00 H new ATOM 0 HB2 GLU A 6 72.674 -0.574 -14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 6 73.717 -0.089 -13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 6 71.916 -2.137 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 6 72.615 -2.705 -14.037 1.00 0.00 H new ATOM 102 N LYS A 7 71.281 2.524 -13.615 1.00 0.00 N ATOM 103 CA LYS A 7 71.566 3.979 -13.543 1.00 0.00 C ATOM 104 C LYS A 7 70.255 4.767 -13.454 1.00 0.00 C ATOM 105 O LYS A 7 70.254 5.981 -13.425 1.00 0.00 O ATOM 106 CB LYS A 7 72.337 4.410 -14.792 1.00 0.00 C ATOM 107 CG LYS A 7 73.816 4.052 -14.629 1.00 0.00 C ATOM 108 CD LYS A 7 74.677 5.110 -15.320 1.00 0.00 C ATOM 109 CE LYS A 7 74.938 4.691 -16.768 1.00 0.00 C ATOM 110 NZ LYS A 7 74.959 5.900 -17.640 1.00 0.00 N ATOM 0 H LYS A 7 70.479 2.273 -14.193 1.00 0.00 H new ATOM 0 HA LYS A 7 72.164 4.182 -12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.928 3.916 -15.673 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.227 5.483 -14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.072 3.994 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.013 3.070 -15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.174 6.076 -15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.621 5.229 -14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.888 4.162 -16.839 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.163 4.001 -17.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.136 5.615 -18.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.042 6.387 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.713 6.543 -17.324 1.00 0.00 H new ATOM 124 N GLN A 8 69.136 4.091 -13.407 1.00 0.00 N ATOM 125 CA GLN A 8 67.837 4.814 -13.316 1.00 0.00 C ATOM 126 C GLN A 8 67.927 5.881 -12.224 1.00 0.00 C ATOM 127 O GLN A 8 67.261 6.896 -12.277 1.00 0.00 O ATOM 128 CB GLN A 8 66.725 3.820 -12.968 1.00 0.00 C ATOM 129 CG GLN A 8 66.874 3.379 -11.510 1.00 0.00 C ATOM 130 CD GLN A 8 66.521 1.896 -11.383 1.00 0.00 C ATOM 131 OE1 GLN A 8 66.580 1.161 -12.350 1.00 0.00 O ATOM 132 NE2 GLN A 8 66.156 1.421 -10.224 1.00 0.00 N ATOM 0 H GLN A 8 69.068 3.074 -13.428 1.00 0.00 H new ATOM 0 HA GLN A 8 67.614 5.288 -14.272 1.00 0.00 H new ATOM 0 HB2 GLN A 8 65.749 4.281 -13.122 1.00 0.00 H new ATOM 0 HB3 GLN A 8 66.776 2.954 -13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 8 67.896 3.550 -11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 8 66.222 3.974 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 8 66.107 2.037 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 8 65.920 0.433 -10.129 1.00 0.00 H new ATOM 141 N LYS A 9 68.746 5.657 -11.234 1.00 0.00 N ATOM 142 CA LYS A 9 68.882 6.654 -10.137 1.00 0.00 C ATOM 143 C LYS A 9 69.823 6.103 -9.063 1.00 0.00 C ATOM 144 O LYS A 9 69.661 6.366 -7.887 1.00 0.00 O ATOM 145 CB LYS A 9 67.508 6.923 -9.520 1.00 0.00 C ATOM 146 CG LYS A 9 67.410 8.393 -9.107 1.00 0.00 C ATOM 147 CD LYS A 9 66.204 9.038 -9.794 1.00 0.00 C ATOM 148 CE LYS A 9 65.417 9.863 -8.774 1.00 0.00 C ATOM 149 NZ LYS A 9 64.663 8.950 -7.870 1.00 0.00 N ATOM 0 H LYS A 9 69.328 4.825 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 9 69.289 7.582 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 66.723 6.683 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.355 6.280 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.310 8.472 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.323 8.920 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.537 9.675 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.564 8.269 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.097 10.487 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.728 10.534 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 63.942 9.492 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.200 8.208 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.320 8.512 -7.193 1.00 0.00 H new ATOM 163 N VAL A 10 70.806 5.337 -9.455 1.00 0.00 N ATOM 164 CA VAL A 10 71.751 4.771 -8.461 1.00 0.00 C ATOM 165 C VAL A 10 72.922 5.732 -8.265 1.00 0.00 C ATOM 166 O VAL A 10 73.013 6.426 -7.272 1.00 0.00 O ATOM 167 CB VAL A 10 72.275 3.425 -8.966 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.408 2.946 -8.057 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.141 2.398 -8.952 1.00 0.00 C ATOM 0 H VAL A 10 70.992 5.081 -10.425 1.00 0.00 H new ATOM 0 HA VAL A 10 71.236 4.628 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 10 72.649 3.539 -9.984 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.782 1.987 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.216 3.677 -8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 10 73.034 2.832 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.514 1.439 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.767 2.283 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.333 2.739 -9.600 1.00 0.00 H new ATOM 179 N ILE A 11 73.820 5.771 -9.206 1.00 0.00 N ATOM 180 CA ILE A 11 74.990 6.675 -9.086 1.00 0.00 C ATOM 181 C ILE A 11 74.612 8.055 -9.595 1.00 0.00 C ATOM 182 O ILE A 11 74.893 9.064 -8.985 1.00 0.00 O ATOM 183 CB ILE A 11 76.170 6.104 -9.890 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.245 6.664 -11.325 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.061 4.580 -9.950 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.248 5.944 -12.226 1.00 0.00 C ATOM 0 H ILE A 11 73.792 5.211 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 11 75.291 6.755 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 11 77.081 6.407 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.032 7.733 -11.317 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.254 6.543 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.898 4.178 -10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.082 4.174 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.125 4.301 -10.434 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.312 6.349 -13.236 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.480 4.879 -12.247 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.239 6.088 -11.840 1.00 0.00 H new ATOM 198 N GLN A 12 73.982 8.085 -10.720 1.00 0.00 N ATOM 199 CA GLN A 12 73.554 9.383 -11.326 1.00 0.00 C ATOM 200 C GLN A 12 73.085 10.302 -10.203 1.00 0.00 C ATOM 201 O GLN A 12 73.263 11.504 -10.243 1.00 0.00 O ATOM 202 CB GLN A 12 72.405 9.141 -12.309 1.00 0.00 C ATOM 203 CG GLN A 12 71.214 8.530 -11.569 1.00 0.00 C ATOM 204 CD GLN A 12 70.225 9.633 -11.187 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.476 10.405 -10.283 1.00 0.00 O ATOM 206 NE2 GLN A 12 69.102 9.743 -11.842 1.00 0.00 N ATOM 0 H GLN A 12 73.736 7.258 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 12 74.385 9.839 -11.864 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.111 10.080 -12.778 1.00 0.00 H new ATOM 0 HB3 GLN A 12 72.731 8.474 -13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.722 7.790 -12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.557 8.010 -10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.889 9.096 -12.601 1.00 0.00 H new ATOM 0 HE22 GLN A 12 68.437 10.476 -11.595 1.00 0.00 H new ATOM 215 N GLU A 13 72.514 9.727 -9.183 1.00 0.00 N ATOM 216 CA GLU A 13 72.057 10.529 -8.027 1.00 0.00 C ATOM 217 C GLU A 13 73.199 10.595 -7.012 1.00 0.00 C ATOM 218 O GLU A 13 73.455 11.617 -6.407 1.00 0.00 O ATOM 219 CB GLU A 13 70.832 9.870 -7.389 1.00 0.00 C ATOM 220 CG GLU A 13 69.858 10.951 -6.917 1.00 0.00 C ATOM 221 CD GLU A 13 70.604 11.966 -6.048 1.00 0.00 C ATOM 222 OE1 GLU A 13 70.926 11.627 -4.921 1.00 0.00 O ATOM 223 OE2 GLU A 13 70.840 13.064 -6.524 1.00 0.00 O ATOM 0 H GLU A 13 72.345 8.724 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 13 71.781 11.533 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.343 9.214 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.137 9.248 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.409 11.451 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.044 10.500 -6.350 1.00 0.00 H new ATOM 230 N PHE A 14 73.891 9.501 -6.834 1.00 0.00 N ATOM 231 CA PHE A 14 75.022 9.470 -5.878 1.00 0.00 C ATOM 232 C PHE A 14 76.311 9.879 -6.593 1.00 0.00 C ATOM 233 O PHE A 14 76.878 10.920 -6.324 1.00 0.00 O ATOM 234 CB PHE A 14 75.177 8.052 -5.327 1.00 0.00 C ATOM 235 CG PHE A 14 74.116 7.797 -4.285 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.845 8.763 -3.307 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.400 6.594 -4.297 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.859 8.525 -2.343 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.414 6.356 -3.332 1.00 0.00 C ATOM 240 CZ PHE A 14 72.143 7.321 -2.356 1.00 0.00 C ATOM 0 H PHE A 14 73.714 8.621 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 14 74.826 10.164 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.090 7.325 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.168 7.927 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.397 9.691 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.608 5.849 -5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.650 9.269 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.863 5.427 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.382 7.138 -1.612 1.00 0.00 H new ATOM 250 N ALA A 15 76.780 9.068 -7.502 1.00 0.00 N ATOM 251 CA ALA A 15 78.031 9.410 -8.230 1.00 0.00 C ATOM 252 C ALA A 15 77.802 10.646 -9.096 1.00 0.00 C ATOM 253 O ALA A 15 76.986 10.642 -9.997 1.00 0.00 O ATOM 254 CB ALA A 15 78.440 8.242 -9.128 1.00 0.00 C ATOM 0 H ALA A 15 76.349 8.183 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 15 78.820 9.611 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.357 8.496 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.608 7.355 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.647 8.041 -9.848 1.00 0.00 H new ATOM 260 N ARG A 16 78.527 11.700 -8.848 1.00 0.00 N ATOM 261 CA ARG A 16 78.358 12.922 -9.677 1.00 0.00 C ATOM 262 C ARG A 16 79.380 12.889 -10.808 1.00 0.00 C ATOM 263 O ARG A 16 79.840 13.907 -11.282 1.00 0.00 O ATOM 264 CB ARG A 16 78.573 14.169 -8.817 1.00 0.00 C ATOM 265 CG ARG A 16 79.758 13.942 -7.875 1.00 0.00 C ATOM 266 CD ARG A 16 79.240 13.582 -6.482 1.00 0.00 C ATOM 267 NE ARG A 16 80.302 12.856 -5.729 1.00 0.00 N ATOM 268 CZ ARG A 16 80.950 13.460 -4.770 1.00 0.00 C ATOM 269 NH1 ARG A 16 81.035 14.761 -4.758 1.00 0.00 N ATOM 270 NH2 ARG A 16 81.512 12.759 -3.822 1.00 0.00 N ATOM 0 H ARG A 16 79.227 11.767 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 16 77.350 12.953 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.761 15.034 -9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.673 14.386 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.392 13.142 -8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.374 14.840 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.952 14.486 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 16 78.348 12.961 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 16 80.522 11.888 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.595 15.308 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 16 81.541 15.232 -4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 16 81.444 11.741 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 16 82.019 13.229 -3.072 1.00 0.00 H new ATOM 284 N PHE A 17 79.737 11.712 -11.234 1.00 0.00 N ATOM 285 CA PHE A 17 80.733 11.577 -12.329 1.00 0.00 C ATOM 286 C PHE A 17 80.655 10.158 -12.888 1.00 0.00 C ATOM 287 O PHE A 17 80.027 9.298 -12.301 1.00 0.00 O ATOM 288 CB PHE A 17 82.133 11.829 -11.762 1.00 0.00 C ATOM 289 CG PHE A 17 82.515 13.275 -11.971 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.384 13.860 -13.237 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.002 14.031 -10.898 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.739 15.202 -13.428 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.357 15.372 -11.090 1.00 0.00 C ATOM 294 CZ PHE A 17 83.225 15.957 -12.354 1.00 0.00 C ATOM 0 H PHE A 17 79.378 10.830 -10.867 1.00 0.00 H new ATOM 0 HA PHE A 17 80.527 12.297 -13.121 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.154 11.587 -10.699 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.857 11.177 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 17 82.010 13.277 -14.065 1.00 0.00 H new ATOM 0 HD2 PHE A 17 83.104 13.580 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.638 15.654 -14.404 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.733 15.955 -10.262 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.498 16.991 -12.501 1.00 0.00 H new ATOM 304 N PRO A 18 81.307 9.948 -13.998 1.00 0.00 N ATOM 305 CA PRO A 18 81.343 8.630 -14.649 1.00 0.00 C ATOM 306 C PRO A 18 82.259 7.687 -13.864 1.00 0.00 C ATOM 307 O PRO A 18 82.442 6.540 -14.221 1.00 0.00 O ATOM 308 CB PRO A 18 81.897 8.931 -16.045 1.00 0.00 C ATOM 309 CG PRO A 18 82.651 10.277 -15.931 1.00 0.00 C ATOM 310 CD PRO A 18 82.072 10.997 -14.703 1.00 0.00 C ATOM 0 HA PRO A 18 80.373 8.135 -14.695 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.566 8.137 -16.377 1.00 0.00 H new ATOM 0 HB3 PRO A 18 81.092 8.997 -16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.722 10.113 -15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 18 82.515 10.876 -16.832 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.861 11.407 -14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.432 11.830 -14.994 1.00 0.00 H new ATOM 318 N GLY A 19 82.829 8.164 -12.789 1.00 0.00 N ATOM 319 CA GLY A 19 83.723 7.305 -11.968 1.00 0.00 C ATOM 320 C GLY A 19 83.481 7.588 -10.481 1.00 0.00 C ATOM 321 O GLY A 19 84.174 7.074 -9.625 1.00 0.00 O ATOM 0 H GLY A 19 82.711 9.117 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.534 6.254 -12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.765 7.500 -12.221 1.00 0.00 H new ATOM 325 N ASP A 20 82.503 8.400 -10.162 1.00 0.00 N ATOM 326 CA ASP A 20 82.229 8.702 -8.731 1.00 0.00 C ATOM 327 C ASP A 20 81.219 7.702 -8.182 1.00 0.00 C ATOM 328 O ASP A 20 80.583 7.922 -7.171 1.00 0.00 O ATOM 329 CB ASP A 20 81.683 10.125 -8.592 1.00 0.00 C ATOM 330 CG ASP A 20 82.844 11.098 -8.383 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.891 10.875 -8.967 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.667 12.051 -7.642 1.00 0.00 O ATOM 0 H ASP A 20 81.887 8.863 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 20 83.157 8.624 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.121 10.399 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.992 10.180 -7.751 1.00 0.00 H new ATOM 337 N THR A 21 81.090 6.599 -8.845 1.00 0.00 N ATOM 338 CA THR A 21 80.146 5.543 -8.388 1.00 0.00 C ATOM 339 C THR A 21 80.927 4.521 -7.570 1.00 0.00 C ATOM 340 O THR A 21 80.374 3.780 -6.782 1.00 0.00 O ATOM 341 CB THR A 21 79.509 4.861 -9.599 1.00 0.00 C ATOM 342 OG1 THR A 21 78.648 3.819 -9.161 1.00 0.00 O ATOM 343 CG2 THR A 21 80.608 4.280 -10.487 1.00 0.00 C ATOM 0 H THR A 21 81.603 6.375 -9.697 1.00 0.00 H new ATOM 0 HA THR A 21 79.356 5.983 -7.779 1.00 0.00 H new ATOM 0 HB THR A 21 78.930 5.590 -10.166 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.620 3.112 -9.839 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.157 3.793 -11.352 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.265 5.082 -10.824 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.186 3.551 -9.920 1.00 0.00 H new ATOM 351 N GLY A 22 82.219 4.491 -7.743 1.00 0.00 N ATOM 352 CA GLY A 22 83.052 3.536 -6.967 1.00 0.00 C ATOM 353 C GLY A 22 83.508 4.219 -5.680 1.00 0.00 C ATOM 354 O GLY A 22 84.057 3.596 -4.792 1.00 0.00 O ATOM 0 H GLY A 22 82.733 5.089 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.480 2.637 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.915 3.223 -7.555 1.00 0.00 H new ATOM 358 N SER A 23 83.281 5.502 -5.570 1.00 0.00 N ATOM 359 CA SER A 23 83.695 6.229 -4.338 1.00 0.00 C ATOM 360 C SER A 23 83.160 5.491 -3.111 1.00 0.00 C ATOM 361 O SER A 23 82.428 4.527 -3.225 1.00 0.00 O ATOM 362 CB SER A 23 83.128 7.649 -4.369 1.00 0.00 C ATOM 363 OG SER A 23 83.449 8.310 -3.152 1.00 0.00 O ATOM 0 H SER A 23 82.827 6.076 -6.281 1.00 0.00 H new ATOM 0 HA SER A 23 84.783 6.275 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.540 8.199 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.047 7.618 -4.505 1.00 0.00 H new ATOM 0 HG SER A 23 83.088 9.221 -3.170 1.00 0.00 H new ATOM 369 N THR A 24 83.517 5.933 -1.936 1.00 0.00 N ATOM 370 CA THR A 24 83.026 5.252 -0.706 1.00 0.00 C ATOM 371 C THR A 24 81.588 5.688 -0.414 1.00 0.00 C ATOM 372 O THR A 24 80.821 4.963 0.184 1.00 0.00 O ATOM 373 CB THR A 24 83.919 5.624 0.478 1.00 0.00 C ATOM 374 OG1 THR A 24 85.184 4.995 0.331 1.00 0.00 O ATOM 375 CG2 THR A 24 83.260 5.159 1.777 1.00 0.00 C ATOM 0 H THR A 24 84.126 6.735 -1.775 1.00 0.00 H new ATOM 0 HA THR A 24 83.054 4.173 -0.858 1.00 0.00 H new ATOM 0 HB THR A 24 84.055 6.705 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.758 5.234 1.088 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.895 5.423 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.290 5.644 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.124 4.078 1.749 1.00 0.00 H new ATOM 383 N GLU A 25 81.218 6.868 -0.827 1.00 0.00 N ATOM 384 CA GLU A 25 79.834 7.347 -0.570 1.00 0.00 C ATOM 385 C GLU A 25 78.853 6.541 -1.421 1.00 0.00 C ATOM 386 O GLU A 25 77.966 5.883 -0.913 1.00 0.00 O ATOM 387 CB GLU A 25 79.738 8.824 -0.946 1.00 0.00 C ATOM 388 CG GLU A 25 80.373 9.674 0.157 1.00 0.00 C ATOM 389 CD GLU A 25 80.235 11.156 -0.196 1.00 0.00 C ATOM 390 OE1 GLU A 25 80.099 11.455 -1.371 1.00 0.00 O ATOM 391 OE2 GLU A 25 80.267 11.967 0.715 1.00 0.00 O ATOM 0 H GLU A 25 81.816 7.522 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 25 79.590 7.220 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.245 9.002 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.695 9.108 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.888 9.470 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.425 9.413 0.271 1.00 0.00 H new ATOM 398 N VAL A 26 79.006 6.589 -2.714 1.00 0.00 N ATOM 399 CA VAL A 26 78.088 5.831 -3.607 1.00 0.00 C ATOM 400 C VAL A 26 78.027 4.371 -3.158 1.00 0.00 C ATOM 401 O VAL A 26 77.014 3.713 -3.294 1.00 0.00 O ATOM 402 CB VAL A 26 78.609 5.900 -5.044 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.632 5.180 -5.976 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.733 7.365 -5.468 1.00 0.00 C ATOM 0 H VAL A 26 79.731 7.123 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 26 77.090 6.267 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 26 79.586 5.419 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.003 5.229 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.541 4.137 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.655 5.660 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 79.104 7.417 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.756 7.844 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.428 7.879 -4.803 1.00 0.00 H new ATOM 414 N GLN A 27 79.100 3.853 -2.623 1.00 0.00 N ATOM 415 CA GLN A 27 79.087 2.437 -2.172 1.00 0.00 C ATOM 416 C GLN A 27 78.193 2.311 -0.945 1.00 0.00 C ATOM 417 O GLN A 27 77.325 1.466 -0.886 1.00 0.00 O ATOM 418 CB GLN A 27 80.509 1.991 -1.822 1.00 0.00 C ATOM 419 CG GLN A 27 81.408 2.126 -3.053 1.00 0.00 C ATOM 420 CD GLN A 27 81.554 0.762 -3.731 1.00 0.00 C ATOM 421 OE1 GLN A 27 80.715 0.369 -4.516 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.593 0.020 -3.460 1.00 0.00 N ATOM 0 H GLN A 27 79.980 4.349 -2.480 1.00 0.00 H new ATOM 0 HA GLN A 27 78.703 1.804 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.900 2.598 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.502 0.957 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.981 2.847 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.387 2.506 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.298 0.350 -2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 27 82.700 -0.890 -3.908 1.00 0.00 H new ATOM 431 N VAL A 28 78.381 3.151 0.034 1.00 0.00 N ATOM 432 CA VAL A 28 77.514 3.071 1.237 1.00 0.00 C ATOM 433 C VAL A 28 76.066 2.978 0.766 1.00 0.00 C ATOM 434 O VAL A 28 75.245 2.329 1.377 1.00 0.00 O ATOM 435 CB VAL A 28 77.708 4.326 2.093 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.638 4.379 3.184 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.094 4.291 2.742 1.00 0.00 C ATOM 0 H VAL A 28 79.091 3.883 0.052 1.00 0.00 H new ATOM 0 HA VAL A 28 77.770 2.199 1.838 1.00 0.00 H new ATOM 0 HB VAL A 28 77.622 5.209 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.780 5.274 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.650 4.406 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.719 3.495 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.233 5.184 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.179 3.405 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.859 4.259 1.966 1.00 0.00 H new ATOM 447 N ALA A 29 75.750 3.605 -0.334 1.00 0.00 N ATOM 448 CA ALA A 29 74.362 3.522 -0.849 1.00 0.00 C ATOM 449 C ALA A 29 74.117 2.098 -1.333 1.00 0.00 C ATOM 450 O ALA A 29 73.103 1.498 -1.039 1.00 0.00 O ATOM 451 CB ALA A 29 74.173 4.504 -2.006 1.00 0.00 C ATOM 0 H ALA A 29 76.392 4.167 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 29 73.655 3.779 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.151 4.436 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.365 5.519 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.868 4.258 -2.809 1.00 0.00 H new ATOM 457 N LEU A 30 75.049 1.542 -2.057 1.00 0.00 N ATOM 458 CA LEU A 30 74.869 0.151 -2.533 1.00 0.00 C ATOM 459 C LEU A 30 74.892 -0.784 -1.319 1.00 0.00 C ATOM 460 O LEU A 30 74.551 -1.946 -1.408 1.00 0.00 O ATOM 461 CB LEU A 30 75.991 -0.203 -3.524 1.00 0.00 C ATOM 462 CG LEU A 30 77.195 -0.807 -2.791 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.057 -2.330 -2.749 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.480 -0.435 -3.533 1.00 0.00 C ATOM 0 H LEU A 30 75.921 1.991 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 30 73.915 0.042 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.618 -0.910 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.300 0.691 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 30 77.233 -0.417 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.913 -2.759 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.141 -2.598 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.019 -2.720 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.337 -0.863 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.439 -0.826 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.580 0.650 -3.565 1.00 0.00 H new ATOM 476 N LEU A 31 75.295 -0.275 -0.181 1.00 0.00 N ATOM 477 CA LEU A 31 75.341 -1.119 1.036 1.00 0.00 C ATOM 478 C LEU A 31 73.897 -1.381 1.479 1.00 0.00 C ATOM 479 O LEU A 31 73.576 -2.408 2.041 1.00 0.00 O ATOM 480 CB LEU A 31 76.125 -0.381 2.142 1.00 0.00 C ATOM 481 CG LEU A 31 75.166 0.393 3.047 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.602 -0.552 4.108 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.903 1.543 3.733 1.00 0.00 C ATOM 0 H LEU A 31 75.593 0.692 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 31 75.843 -2.066 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.695 -1.098 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.844 0.304 1.692 1.00 0.00 H new ATOM 0 HG LEU A 31 74.355 0.800 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.917 -0.005 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.067 -1.368 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.419 -0.959 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.211 2.087 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.719 1.144 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.306 2.219 2.978 1.00 0.00 H new ATOM 495 N THR A 32 73.032 -0.436 1.224 1.00 0.00 N ATOM 496 CA THR A 32 71.607 -0.584 1.618 1.00 0.00 C ATOM 497 C THR A 32 70.932 -1.616 0.709 1.00 0.00 C ATOM 498 O THR A 32 70.229 -2.496 1.164 1.00 0.00 O ATOM 499 CB THR A 32 70.916 0.787 1.498 1.00 0.00 C ATOM 500 OG1 THR A 32 69.882 0.880 2.469 1.00 0.00 O ATOM 501 CG2 THR A 32 70.318 0.973 0.100 1.00 0.00 C ATOM 0 H THR A 32 73.258 0.441 0.754 1.00 0.00 H new ATOM 0 HA THR A 32 71.530 -0.932 2.648 1.00 0.00 H new ATOM 0 HB THR A 32 71.658 1.567 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.442 1.753 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.835 1.948 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.111 0.912 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.582 0.191 -0.088 1.00 0.00 H new ATOM 509 N LEU A 33 71.142 -1.511 -0.574 1.00 0.00 N ATOM 510 CA LEU A 33 70.515 -2.480 -1.514 1.00 0.00 C ATOM 511 C LEU A 33 70.925 -3.903 -1.129 1.00 0.00 C ATOM 512 O LEU A 33 70.093 -4.753 -0.886 1.00 0.00 O ATOM 513 CB LEU A 33 70.982 -2.183 -2.940 1.00 0.00 C ATOM 514 CG LEU A 33 70.075 -1.119 -3.561 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.770 -0.499 -4.773 1.00 0.00 C ATOM 516 CD2 LEU A 33 68.761 -1.767 -4.003 1.00 0.00 C ATOM 0 H LEU A 33 71.722 -0.795 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 33 69.430 -2.387 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.015 -1.836 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.957 -3.093 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 33 69.869 -0.342 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.123 0.259 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.707 -0.039 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.976 -1.275 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.113 -1.010 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.968 -2.544 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.265 -2.209 -3.139 1.00 0.00 H new ATOM 528 N ARG A 34 72.201 -4.170 -1.076 1.00 0.00 N ATOM 529 CA ARG A 34 72.662 -5.539 -0.710 1.00 0.00 C ATOM 530 C ARG A 34 72.047 -5.950 0.630 1.00 0.00 C ATOM 531 O ARG A 34 72.004 -7.114 0.971 1.00 0.00 O ATOM 532 CB ARG A 34 74.188 -5.547 -0.592 1.00 0.00 C ATOM 533 CG ARG A 34 74.805 -5.811 -1.967 1.00 0.00 C ATOM 534 CD ARG A 34 76.330 -5.848 -1.843 1.00 0.00 C ATOM 535 NE ARG A 34 76.917 -6.381 -3.106 1.00 0.00 N ATOM 536 CZ ARG A 34 77.263 -7.636 -3.185 1.00 0.00 C ATOM 537 NH1 ARG A 34 76.372 -8.572 -3.004 1.00 0.00 N ATOM 538 NH2 ARG A 34 78.501 -7.956 -3.446 1.00 0.00 N ATOM 0 H ARG A 34 72.944 -3.499 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 34 72.350 -6.243 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.538 -4.591 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.505 -6.315 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.439 -6.757 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.505 -5.032 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.714 -4.847 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.622 -6.475 -1.000 1.00 0.00 H new ATOM 0 HE ARG A 34 77.048 -5.764 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.404 -8.322 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.643 -9.553 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 34 79.198 -7.225 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.772 -8.937 -3.508 1.00 0.00 H new ATOM 552 N ILE A 35 71.572 -5.004 1.393 1.00 0.00 N ATOM 553 CA ILE A 35 70.965 -5.331 2.703 1.00 0.00 C ATOM 554 C ILE A 35 69.564 -5.910 2.474 1.00 0.00 C ATOM 555 O ILE A 35 69.238 -6.985 2.935 1.00 0.00 O ATOM 556 CB ILE A 35 70.904 -4.035 3.536 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.883 -4.142 4.704 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.496 -3.784 4.075 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.268 -3.691 4.242 1.00 0.00 C ATOM 0 H ILE A 35 71.581 -4.011 1.158 1.00 0.00 H new ATOM 0 HA ILE A 35 71.555 -6.074 3.240 1.00 0.00 H new ATOM 0 HB ILE A 35 71.174 -3.199 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.545 -3.524 5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 35 71.924 -5.169 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.488 -2.863 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.799 -3.693 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.196 -4.617 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 35 73.971 -3.765 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.604 -4.328 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.219 -2.657 3.900 1.00 0.00 H new ATOM 571 N ASN A 36 68.738 -5.185 1.777 1.00 0.00 N ATOM 572 CA ASN A 36 67.351 -5.663 1.518 1.00 0.00 C ATOM 573 C ASN A 36 67.382 -6.984 0.743 1.00 0.00 C ATOM 574 O ASN A 36 66.616 -7.886 1.015 1.00 0.00 O ATOM 575 CB ASN A 36 66.598 -4.612 0.700 1.00 0.00 C ATOM 576 CG ASN A 36 66.220 -3.437 1.604 1.00 0.00 C ATOM 577 OD1 ASN A 36 65.257 -3.507 2.341 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.945 -2.352 1.579 1.00 0.00 N ATOM 0 H ASN A 36 68.964 -4.276 1.373 1.00 0.00 H new ATOM 0 HA ASN A 36 66.846 -5.823 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.219 -4.264 -0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.702 -5.051 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.703 -1.563 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.754 -2.293 0.960 1.00 0.00 H new ATOM 585 N ARG A 37 68.251 -7.107 -0.226 1.00 0.00 N ATOM 586 CA ARG A 37 68.305 -8.371 -1.010 1.00 0.00 C ATOM 587 C ARG A 37 69.155 -9.407 -0.284 1.00 0.00 C ATOM 588 O ARG A 37 69.475 -10.455 -0.812 1.00 0.00 O ATOM 589 CB ARG A 37 68.893 -8.096 -2.393 1.00 0.00 C ATOM 590 CG ARG A 37 67.779 -8.144 -3.441 1.00 0.00 C ATOM 591 CD ARG A 37 68.279 -7.523 -4.747 1.00 0.00 C ATOM 592 NE ARG A 37 67.770 -8.317 -5.901 1.00 0.00 N ATOM 593 CZ ARG A 37 67.835 -7.826 -7.108 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.866 -7.079 -7.563 1.00 0.00 N ATOM 595 NH2 ARG A 37 68.868 -8.085 -7.862 1.00 0.00 N ATOM 0 H ARG A 37 68.921 -6.390 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 37 67.293 -8.761 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.377 -7.120 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.659 -8.835 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.470 -9.175 -3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.903 -7.604 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.940 -6.490 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.369 -7.502 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 37 67.371 -9.243 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.057 -6.879 -6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.918 -6.696 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 37 69.624 -8.671 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 37 68.920 -7.702 -8.806 1.00 0.00 H new ATOM 609 N LEU A 38 69.502 -9.124 0.925 1.00 0.00 N ATOM 610 CA LEU A 38 70.313 -10.077 1.723 1.00 0.00 C ATOM 611 C LEU A 38 69.370 -10.990 2.508 1.00 0.00 C ATOM 612 O LEU A 38 69.627 -12.163 2.688 1.00 0.00 O ATOM 613 CB LEU A 38 71.209 -9.305 2.695 1.00 0.00 C ATOM 614 CG LEU A 38 71.784 -10.265 3.738 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.734 -11.251 3.056 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.551 -9.469 4.795 1.00 0.00 C ATOM 0 H LEU A 38 69.257 -8.260 1.408 1.00 0.00 H new ATOM 0 HA LEU A 38 70.940 -10.673 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.018 -8.817 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.636 -8.519 3.187 1.00 0.00 H new ATOM 0 HG LEU A 38 70.971 -10.813 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.144 -11.935 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.189 -11.819 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.547 -10.703 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 38 72.961 -10.152 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.364 -8.921 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.875 -8.766 5.282 1.00 0.00 H new ATOM 628 N SER A 39 68.279 -10.449 2.979 1.00 0.00 N ATOM 629 CA SER A 39 67.309 -11.268 3.757 1.00 0.00 C ATOM 630 C SER A 39 66.514 -12.165 2.806 1.00 0.00 C ATOM 631 O SER A 39 66.052 -13.225 3.179 1.00 0.00 O ATOM 632 CB SER A 39 66.351 -10.337 4.501 1.00 0.00 C ATOM 633 OG SER A 39 65.412 -11.115 5.232 1.00 0.00 O ATOM 0 H SER A 39 68.018 -9.471 2.857 1.00 0.00 H new ATOM 0 HA SER A 39 67.847 -11.891 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.908 -9.688 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.832 -9.690 3.794 1.00 0.00 H new ATOM 0 HG SER A 39 64.797 -10.521 5.711 1.00 0.00 H new ATOM 639 N GLU A 40 66.348 -11.749 1.580 1.00 0.00 N ATOM 640 CA GLU A 40 65.582 -12.575 0.611 1.00 0.00 C ATOM 641 C GLU A 40 66.528 -13.509 -0.129 1.00 0.00 C ATOM 642 O GLU A 40 66.231 -14.011 -1.196 1.00 0.00 O ATOM 643 CB GLU A 40 64.886 -11.666 -0.393 1.00 0.00 C ATOM 644 CG GLU A 40 63.377 -11.678 -0.142 1.00 0.00 C ATOM 645 CD GLU A 40 62.902 -10.260 0.178 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.259 -9.356 -0.560 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.189 -10.101 1.155 1.00 0.00 O ATOM 0 H GLU A 40 66.711 -10.871 1.209 1.00 0.00 H new ATOM 0 HA GLU A 40 64.839 -13.163 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.271 -10.650 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.098 -12.001 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.855 -12.059 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.140 -12.348 0.685 1.00 0.00 H new ATOM 654 N HIS A 41 67.663 -13.740 0.438 1.00 0.00 N ATOM 655 CA HIS A 41 68.660 -14.638 -0.200 1.00 0.00 C ATOM 656 C HIS A 41 68.218 -16.091 -0.035 1.00 0.00 C ATOM 657 O HIS A 41 67.840 -16.750 -0.982 1.00 0.00 O ATOM 658 CB HIS A 41 70.025 -14.439 0.463 1.00 0.00 C ATOM 659 CG HIS A 41 71.061 -14.171 -0.593 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.928 -13.146 -1.517 1.00 0.00 N ATOM 661 CD2 HIS A 41 72.255 -14.785 -0.884 1.00 0.00 C ATOM 662 CE1 HIS A 41 72.013 -13.174 -2.314 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.853 -14.153 -1.971 1.00 0.00 N ATOM 0 H HIS A 41 67.954 -13.342 1.331 1.00 0.00 H new ATOM 0 HA HIS A 41 68.735 -14.401 -1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.982 -13.606 1.165 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.296 -15.326 1.036 1.00 0.00 H new ATOM 0 HD1 HIS A 41 70.150 -12.490 -1.581 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.667 -15.629 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.183 -12.488 -3.131 1.00 0.00 H new ATOM 671 N LEU A 42 68.267 -16.595 1.165 1.00 0.00 N ATOM 672 CA LEU A 42 67.860 -18.002 1.410 1.00 0.00 C ATOM 673 C LEU A 42 66.343 -18.139 1.245 1.00 0.00 C ATOM 674 O LEU A 42 65.797 -19.222 1.326 1.00 0.00 O ATOM 675 CB LEU A 42 68.252 -18.387 2.834 1.00 0.00 C ATOM 676 CG LEU A 42 69.768 -18.273 2.997 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.111 -16.933 3.649 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.272 -19.414 3.882 1.00 0.00 C ATOM 0 H LEU A 42 68.575 -16.086 1.994 1.00 0.00 H new ATOM 0 HA LEU A 42 68.357 -18.658 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.749 -17.736 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.929 -19.406 3.048 1.00 0.00 H new ATOM 0 HG LEU A 42 70.245 -18.334 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.192 -16.851 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.751 -16.119 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.635 -16.872 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.353 -19.334 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.796 -19.353 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.027 -20.370 3.418 1.00 0.00 H new ATOM 690 N LYS A 43 65.654 -17.051 1.011 1.00 0.00 N ATOM 691 CA LYS A 43 64.175 -17.124 0.839 1.00 0.00 C ATOM 692 C LYS A 43 63.836 -17.443 -0.616 1.00 0.00 C ATOM 693 O LYS A 43 62.731 -17.243 -1.078 1.00 0.00 O ATOM 694 CB LYS A 43 63.551 -15.788 1.221 1.00 0.00 C ATOM 695 CG LYS A 43 62.838 -15.919 2.570 1.00 0.00 C ATOM 696 CD LYS A 43 61.519 -16.670 2.379 1.00 0.00 C ATOM 697 CE LYS A 43 61.373 -17.732 3.470 1.00 0.00 C ATOM 698 NZ LYS A 43 60.684 -18.929 2.909 1.00 0.00 N ATOM 0 H LYS A 43 66.054 -16.116 0.932 1.00 0.00 H new ATOM 0 HA LYS A 43 63.780 -17.910 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.321 -15.019 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.844 -15.473 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.473 -16.451 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 43 62.649 -14.931 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 60.682 -15.973 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.494 -17.139 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 43 62.354 -18.011 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 43 60.804 -17.331 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.584 -19.652 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 59.742 -18.657 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.244 -19.315 2.122 1.00 0.00 H new ATOM 712 N VAL A 44 64.791 -17.945 -1.321 1.00 0.00 N ATOM 713 CA VAL A 44 64.595 -18.307 -2.745 1.00 0.00 C ATOM 714 C VAL A 44 65.671 -19.325 -3.129 1.00 0.00 C ATOM 715 O VAL A 44 65.422 -20.280 -3.837 1.00 0.00 O ATOM 716 CB VAL A 44 64.733 -17.055 -3.609 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.913 -17.455 -5.075 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.476 -16.195 -3.467 1.00 0.00 C ATOM 0 H VAL A 44 65.729 -18.127 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 44 63.604 -18.734 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 44 65.603 -16.487 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.011 -16.559 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.811 -18.065 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.046 -18.027 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.575 -15.302 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.606 -16.766 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.350 -15.904 -2.424 1.00 0.00 H new ATOM 728 N HIS A 45 66.867 -19.122 -2.646 1.00 0.00 N ATOM 729 CA HIS A 45 67.977 -20.063 -2.948 1.00 0.00 C ATOM 730 C HIS A 45 67.528 -21.498 -2.657 1.00 0.00 C ATOM 731 O HIS A 45 66.393 -21.742 -2.299 1.00 0.00 O ATOM 732 CB HIS A 45 69.172 -19.709 -2.059 1.00 0.00 C ATOM 733 CG HIS A 45 70.056 -18.724 -2.773 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.193 -18.409 -4.102 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 70.952 -17.911 -2.098 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 71.158 -17.418 -4.252 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 71.583 -17.153 -3.013 1.00 0.00 N flip ATOM 0 H HIS A 45 67.122 -18.335 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 45 68.257 -19.985 -3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 45 68.825 -19.285 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.736 -20.609 -1.815 1.00 0.00 H new ATOM 0 HD1 HIS A 45 69.667 -18.837 -4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 45 71.115 -17.890 -1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.492 -16.961 -5.172 1.00 0.00 H new ATOM 745 N LYS A 46 68.410 -22.448 -2.805 1.00 0.00 N ATOM 746 CA LYS A 46 68.031 -23.864 -2.534 1.00 0.00 C ATOM 747 C LYS A 46 69.207 -24.783 -2.867 1.00 0.00 C ATOM 748 O LYS A 46 69.028 -25.903 -3.305 1.00 0.00 O ATOM 749 CB LYS A 46 66.829 -24.244 -3.399 1.00 0.00 C ATOM 750 CG LYS A 46 67.010 -23.673 -4.807 1.00 0.00 C ATOM 751 CD LYS A 46 65.971 -24.287 -5.746 1.00 0.00 C ATOM 752 CE LYS A 46 66.187 -23.756 -7.164 1.00 0.00 C ATOM 753 NZ LYS A 46 65.761 -24.788 -8.152 1.00 0.00 N ATOM 0 H LYS A 46 69.376 -22.306 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 46 67.772 -23.974 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 46 66.730 -25.328 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.912 -23.859 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.902 -22.589 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 46 68.015 -23.886 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 66.054 -25.374 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 46 64.966 -24.041 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 46 65.616 -22.839 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 46 67.237 -23.505 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 65.908 -24.427 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 66.324 -25.652 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 64.754 -25.006 -8.014 1.00 0.00 H new ATOM 767 N LYS A 47 70.408 -24.321 -2.664 1.00 0.00 N ATOM 768 CA LYS A 47 71.594 -25.168 -2.970 1.00 0.00 C ATOM 769 C LYS A 47 72.850 -24.294 -3.015 1.00 0.00 C ATOM 770 O LYS A 47 73.403 -24.042 -4.066 1.00 0.00 O ATOM 771 CB LYS A 47 71.397 -25.846 -4.324 1.00 0.00 C ATOM 772 CG LYS A 47 70.729 -24.868 -5.293 1.00 0.00 C ATOM 773 CD LYS A 47 71.334 -25.036 -6.688 1.00 0.00 C ATOM 774 CE LYS A 47 72.224 -23.832 -7.007 1.00 0.00 C ATOM 775 NZ LYS A 47 72.033 -23.439 -8.432 1.00 0.00 N ATOM 0 H LYS A 47 70.620 -23.393 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 47 71.708 -25.926 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.358 -26.171 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.782 -26.738 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.655 -25.050 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 70.868 -23.844 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 47 71.917 -25.955 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 70.542 -25.123 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 47 71.975 -22.998 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.269 -24.080 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 72.637 -22.621 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 72.292 -24.235 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.037 -23.186 -8.592 1.00 0.00 H new ATOM 789 N ASP A 48 73.304 -23.830 -1.882 1.00 0.00 N ATOM 790 CA ASP A 48 74.522 -22.976 -1.862 1.00 0.00 C ATOM 791 C ASP A 48 74.816 -22.538 -0.426 1.00 0.00 C ATOM 792 O ASP A 48 74.864 -21.362 -0.123 1.00 0.00 O ATOM 793 CB ASP A 48 74.296 -21.739 -2.735 1.00 0.00 C ATOM 794 CG ASP A 48 75.647 -21.167 -3.169 1.00 0.00 C ATOM 795 OD1 ASP A 48 76.144 -21.590 -4.199 1.00 0.00 O ATOM 796 OD2 ASP A 48 76.162 -20.315 -2.463 1.00 0.00 O ATOM 0 H ASP A 48 72.883 -24.007 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 48 75.368 -23.544 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.702 -22.002 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.732 -20.988 -2.181 1.00 0.00 H new ATOM 801 N HIS A 49 75.014 -23.474 0.462 1.00 0.00 N ATOM 802 CA HIS A 49 75.306 -23.109 1.875 1.00 0.00 C ATOM 803 C HIS A 49 76.496 -22.150 1.918 1.00 0.00 C ATOM 804 O HIS A 49 76.944 -21.657 0.901 1.00 0.00 O ATOM 805 CB HIS A 49 75.638 -24.372 2.672 1.00 0.00 C ATOM 806 CG HIS A 49 74.370 -25.120 2.981 1.00 0.00 C ATOM 807 ND1 HIS A 49 73.303 -24.525 3.637 1.00 0.00 N ATOM 808 CD2 HIS A 49 73.982 -26.412 2.729 1.00 0.00 C ATOM 809 CE1 HIS A 49 72.334 -25.451 3.757 1.00 0.00 C ATOM 810 NE2 HIS A 49 72.696 -26.620 3.220 1.00 0.00 N ATOM 0 H HIS A 49 74.986 -24.475 0.269 1.00 0.00 H new ATOM 0 HA HIS A 49 74.433 -22.624 2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 49 76.317 -25.006 2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.151 -24.107 3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 49 74.583 -27.155 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 49 71.380 -25.271 4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 49 72.148 -27.479 3.179 1.00 0.00 H new ATOM 818 N HIS A 50 77.014 -21.881 3.085 1.00 0.00 N ATOM 819 CA HIS A 50 78.176 -20.953 3.189 1.00 0.00 C ATOM 820 C HIS A 50 77.740 -19.552 2.790 1.00 0.00 C ATOM 821 O HIS A 50 78.534 -18.717 2.405 1.00 0.00 O ATOM 822 CB HIS A 50 79.282 -21.421 2.254 1.00 0.00 C ATOM 823 CG HIS A 50 80.458 -21.900 3.059 1.00 0.00 C ATOM 824 ND1 HIS A 50 81.362 -21.026 3.641 1.00 0.00 N ATOM 825 CD2 HIS A 50 80.892 -23.162 3.387 1.00 0.00 C ATOM 826 CE1 HIS A 50 82.284 -21.764 4.283 1.00 0.00 C ATOM 827 NE2 HIS A 50 82.046 -23.073 4.160 1.00 0.00 N ATOM 0 H HIS A 50 76.683 -22.263 3.971 1.00 0.00 H new ATOM 0 HA HIS A 50 78.544 -20.944 4.215 1.00 0.00 H new ATOM 0 HB2 HIS A 50 78.915 -22.224 1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 50 79.586 -20.605 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 50 80.411 -24.082 3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 50 83.116 -21.349 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 50 82.592 -23.842 4.549 1.00 0.00 H new ATOM 835 N SER A 51 76.479 -19.301 2.884 1.00 0.00 N ATOM 836 CA SER A 51 75.944 -17.959 2.518 1.00 0.00 C ATOM 837 C SER A 51 76.693 -16.879 3.301 1.00 0.00 C ATOM 838 O SER A 51 77.709 -17.137 3.917 1.00 0.00 O ATOM 839 CB SER A 51 74.454 -17.894 2.857 1.00 0.00 C ATOM 840 OG SER A 51 74.297 -17.837 4.269 1.00 0.00 O ATOM 0 H SER A 51 75.779 -19.971 3.202 1.00 0.00 H new ATOM 0 HA SER A 51 76.081 -17.793 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.001 -17.018 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 51 73.940 -18.768 2.457 1.00 0.00 H new ATOM 0 HG SER A 51 73.625 -17.160 4.496 1.00 0.00 H new ATOM 846 N HIS A 52 76.199 -15.672 3.286 1.00 0.00 N ATOM 847 CA HIS A 52 76.882 -14.577 4.031 1.00 0.00 C ATOM 848 C HIS A 52 78.298 -14.392 3.482 1.00 0.00 C ATOM 849 O HIS A 52 79.176 -13.894 4.160 1.00 0.00 O ATOM 850 CB HIS A 52 76.953 -14.937 5.516 1.00 0.00 C ATOM 851 CG HIS A 52 75.686 -15.637 5.923 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.694 -16.848 6.597 1.00 0.00 N ATOM 853 CD2 HIS A 52 74.363 -15.308 5.758 1.00 0.00 C ATOM 854 CE1 HIS A 52 74.413 -17.201 6.811 1.00 0.00 C ATOM 855 NE2 HIS A 52 73.561 -16.298 6.320 1.00 0.00 N ATOM 0 H HIS A 52 75.351 -15.396 2.790 1.00 0.00 H new ATOM 0 HA HIS A 52 76.321 -13.650 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 52 77.813 -15.580 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.091 -14.036 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 52 74.000 -14.417 5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 52 74.111 -18.105 7.318 1.00 0.00 H new ATOM 0 HE2 HIS A 52 72.542 -16.327 6.350 1.00 0.00 H new ATOM 863 N ARG A 53 78.530 -14.790 2.261 1.00 0.00 N ATOM 864 CA ARG A 53 79.890 -14.635 1.673 1.00 0.00 C ATOM 865 C ARG A 53 80.351 -13.186 1.832 1.00 0.00 C ATOM 866 O ARG A 53 80.074 -12.342 1.003 1.00 0.00 O ATOM 867 CB ARG A 53 79.847 -14.998 0.187 1.00 0.00 C ATOM 868 CG ARG A 53 80.594 -16.314 -0.038 1.00 0.00 C ATOM 869 CD ARG A 53 80.626 -16.632 -1.534 1.00 0.00 C ATOM 870 NE ARG A 53 81.912 -16.157 -2.116 1.00 0.00 N ATOM 871 CZ ARG A 53 82.366 -14.971 -1.815 1.00 0.00 C ATOM 872 NH1 ARG A 53 81.993 -13.934 -2.513 1.00 0.00 N ATOM 873 NH2 ARG A 53 83.193 -14.823 -0.817 1.00 0.00 N ATOM 0 H ARG A 53 77.837 -15.216 1.646 1.00 0.00 H new ATOM 0 HA ARG A 53 80.587 -15.296 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 53 78.813 -15.093 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.301 -14.204 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 53 81.610 -16.239 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 53 80.103 -17.121 0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 53 80.518 -17.705 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 53 79.787 -16.151 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 53 82.438 -16.759 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 53 81.347 -14.050 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 53 82.348 -13.007 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 53 83.485 -15.634 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 53 83.548 -13.896 -0.582 1.00 0.00 H new ATOM 887 N GLY A 54 81.051 -12.888 2.892 1.00 0.00 N ATOM 888 CA GLY A 54 81.528 -11.493 3.103 1.00 0.00 C ATOM 889 C GLY A 54 80.353 -10.525 2.954 1.00 0.00 C ATOM 890 O GLY A 54 80.529 -9.366 2.634 1.00 0.00 O ATOM 0 H GLY A 54 81.313 -13.551 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.971 -11.395 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.307 -11.250 2.380 1.00 0.00 H new ATOM 894 N LEU A 55 79.155 -10.989 3.184 1.00 0.00 N ATOM 895 CA LEU A 55 77.975 -10.096 3.055 1.00 0.00 C ATOM 896 C LEU A 55 77.697 -9.420 4.396 1.00 0.00 C ATOM 897 O LEU A 55 76.569 -9.124 4.736 1.00 0.00 O ATOM 898 CB LEU A 55 76.756 -10.914 2.627 1.00 0.00 C ATOM 899 CG LEU A 55 76.262 -10.420 1.265 1.00 0.00 C ATOM 900 CD1 LEU A 55 77.374 -10.587 0.227 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.042 -11.239 0.840 1.00 0.00 C ATOM 0 H LEU A 55 78.945 -11.949 3.456 1.00 0.00 H new ATOM 0 HA LEU A 55 78.178 -9.334 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.016 -11.971 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.963 -10.820 3.369 1.00 0.00 H new ATOM 0 HG LEU A 55 75.988 -9.367 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 55 77.022 -10.235 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 55 78.245 -10.006 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 55 77.648 -11.639 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.689 -10.889 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.317 -12.291 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 55 74.249 -11.121 1.579 1.00 0.00 H new ATOM 913 N LEU A 56 78.723 -9.175 5.156 1.00 0.00 N ATOM 914 CA LEU A 56 78.547 -8.523 6.470 1.00 0.00 C ATOM 915 C LEU A 56 79.040 -7.082 6.389 1.00 0.00 C ATOM 916 O LEU A 56 78.446 -6.173 6.935 1.00 0.00 O ATOM 917 CB LEU A 56 79.366 -9.284 7.508 1.00 0.00 C ATOM 918 CG LEU A 56 78.711 -10.638 7.778 1.00 0.00 C ATOM 919 CD1 LEU A 56 79.664 -11.512 8.596 1.00 0.00 C ATOM 920 CD2 LEU A 56 77.413 -10.429 8.561 1.00 0.00 C ATOM 0 H LEU A 56 79.688 -9.404 4.916 1.00 0.00 H new ATOM 0 HA LEU A 56 77.494 -8.528 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.386 -9.426 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.429 -8.708 8.431 1.00 0.00 H new ATOM 0 HG LEU A 56 78.490 -11.130 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.197 -12.478 8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 56 80.589 -11.661 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 79.886 -11.021 9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.945 -11.394 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 77.635 -9.937 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 76.733 -9.806 7.979 1.00 0.00 H new ATOM 932 N MET A 57 80.126 -6.875 5.709 1.00 0.00 N ATOM 933 CA MET A 57 80.685 -5.501 5.575 1.00 0.00 C ATOM 934 C MET A 57 79.558 -4.519 5.246 1.00 0.00 C ATOM 935 O MET A 57 79.593 -3.368 5.634 1.00 0.00 O ATOM 936 CB MET A 57 81.723 -5.485 4.451 1.00 0.00 C ATOM 937 CG MET A 57 82.181 -4.046 4.199 1.00 0.00 C ATOM 938 SD MET A 57 83.595 -4.053 3.069 1.00 0.00 S ATOM 939 CE MET A 57 84.621 -2.875 3.983 1.00 0.00 C ATOM 0 H MET A 57 80.658 -7.604 5.234 1.00 0.00 H new ATOM 0 HA MET A 57 81.157 -5.206 6.512 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.576 -6.107 4.721 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.296 -5.907 3.541 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.365 -3.462 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.456 -3.570 5.140 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.563 -2.726 3.455 1.00 0.00 H new ATOM 0 HE2 MET A 57 84.097 -1.923 4.065 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.822 -3.265 4.981 1.00 0.00 H new ATOM 949 N MET A 58 78.560 -4.963 4.534 1.00 0.00 N ATOM 950 CA MET A 58 77.434 -4.055 4.182 1.00 0.00 C ATOM 951 C MET A 58 76.778 -3.540 5.464 1.00 0.00 C ATOM 952 O MET A 58 76.583 -2.354 5.641 1.00 0.00 O ATOM 953 CB MET A 58 76.402 -4.816 3.349 1.00 0.00 C ATOM 954 CG MET A 58 77.029 -5.238 2.019 1.00 0.00 C ATOM 955 SD MET A 58 76.691 -6.991 1.720 1.00 0.00 S ATOM 956 CE MET A 58 74.971 -6.990 2.284 1.00 0.00 C ATOM 0 H MET A 58 78.476 -5.916 4.181 1.00 0.00 H new ATOM 0 HA MET A 58 77.814 -3.213 3.603 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.055 -5.694 3.894 1.00 0.00 H new ATOM 0 HB3 MET A 58 75.530 -4.188 3.169 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.624 -4.635 1.206 1.00 0.00 H new ATOM 0 HG3 MET A 58 78.105 -5.063 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 58 74.417 -7.771 1.763 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.940 -7.177 3.357 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.519 -6.021 2.072 1.00 0.00 H new ATOM 966 N VAL A 59 76.436 -4.424 6.361 1.00 0.00 N ATOM 967 CA VAL A 59 75.793 -3.988 7.630 1.00 0.00 C ATOM 968 C VAL A 59 76.749 -3.072 8.397 1.00 0.00 C ATOM 969 O VAL A 59 76.377 -2.006 8.845 1.00 0.00 O ATOM 970 CB VAL A 59 75.465 -5.213 8.486 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.870 -4.759 9.819 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.452 -6.091 7.749 1.00 0.00 C ATOM 0 H VAL A 59 76.575 -5.430 6.268 1.00 0.00 H new ATOM 0 HA VAL A 59 74.874 -3.448 7.403 1.00 0.00 H new ATOM 0 HB VAL A 59 76.376 -5.783 8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.636 -5.631 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.590 -4.132 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.959 -4.190 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.217 -6.964 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.541 -5.521 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.875 -6.414 6.798 1.00 0.00 H new ATOM 982 N GLY A 60 77.980 -3.478 8.548 1.00 0.00 N ATOM 983 CA GLY A 60 78.961 -2.632 9.284 1.00 0.00 C ATOM 984 C GLY A 60 79.284 -1.386 8.456 1.00 0.00 C ATOM 985 O GLY A 60 79.983 -0.497 8.901 1.00 0.00 O ATOM 0 H GLY A 60 78.349 -4.360 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 60 78.553 -2.342 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 60 79.872 -3.198 9.479 1.00 0.00 H new ATOM 989 N GLN A 61 78.783 -1.315 7.251 1.00 0.00 N ATOM 990 CA GLN A 61 79.062 -0.133 6.395 1.00 0.00 C ATOM 991 C GLN A 61 77.983 0.920 6.605 1.00 0.00 C ATOM 992 O GLN A 61 77.766 1.788 5.783 1.00 0.00 O ATOM 993 CB GLN A 61 79.071 -0.559 4.934 1.00 0.00 C ATOM 994 CG GLN A 61 80.505 -0.548 4.400 1.00 0.00 C ATOM 995 CD GLN A 61 80.599 0.406 3.209 1.00 0.00 C ATOM 996 OE1 GLN A 61 79.742 0.407 2.348 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.614 1.222 3.120 1.00 0.00 N ATOM 0 H GLN A 61 78.191 -2.028 6.825 1.00 0.00 H new ATOM 0 HA GLN A 61 80.032 0.285 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.644 -1.557 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.449 0.115 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.194 -0.236 5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.800 -1.553 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.334 1.221 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.687 1.860 2.328 1.00 0.00 H new ATOM 1006 N ARG A 62 77.315 0.844 7.705 1.00 0.00 N ATOM 1007 CA ARG A 62 76.238 1.830 8.009 1.00 0.00 C ATOM 1008 C ARG A 62 76.098 1.984 9.522 1.00 0.00 C ATOM 1009 O ARG A 62 75.876 3.066 10.029 1.00 0.00 O ATOM 1010 CB ARG A 62 74.913 1.343 7.420 1.00 0.00 C ATOM 1011 CG ARG A 62 73.979 2.536 7.211 1.00 0.00 C ATOM 1012 CD ARG A 62 72.929 2.185 6.154 1.00 0.00 C ATOM 1013 NE ARG A 62 72.324 0.863 6.475 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.354 0.783 7.346 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.594 0.996 8.611 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.146 0.492 6.950 1.00 0.00 N ATOM 0 H ARG A 62 77.463 0.135 8.423 1.00 0.00 H new ATOM 0 HA ARG A 62 76.496 2.793 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.089 0.835 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.450 0.618 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.491 2.798 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.551 3.408 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.156 2.953 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.388 2.157 5.166 1.00 0.00 H new ATOM 0 HE ARG A 62 72.667 0.020 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 72.539 1.225 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.837 0.934 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 62 69.959 0.327 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.388 0.429 7.629 1.00 0.00 H new ATOM 1030 N ARG A 63 76.226 0.911 10.243 1.00 0.00 N ATOM 1031 CA ARG A 63 76.103 0.985 11.724 1.00 0.00 C ATOM 1032 C ARG A 63 77.194 1.905 12.278 1.00 0.00 C ATOM 1033 O ARG A 63 77.150 2.317 13.420 1.00 0.00 O ATOM 1034 CB ARG A 63 76.264 -0.414 12.321 1.00 0.00 C ATOM 1035 CG ARG A 63 75.027 -0.759 13.155 1.00 0.00 C ATOM 1036 CD ARG A 63 75.079 -0.001 14.482 1.00 0.00 C ATOM 1037 NE ARG A 63 74.990 -0.971 15.610 1.00 0.00 N ATOM 1038 CZ ARG A 63 76.020 -1.713 15.914 1.00 0.00 C ATOM 1039 NH1 ARG A 63 76.959 -1.240 16.688 1.00 0.00 N ATOM 1040 NH2 ARG A 63 76.112 -2.927 15.444 1.00 0.00 N ATOM 0 H ARG A 63 76.412 -0.020 9.870 1.00 0.00 H new ATOM 0 HA ARG A 63 75.122 1.381 11.989 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.395 -1.147 11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 63 77.158 -0.455 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.122 -0.495 12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.987 -1.833 13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 63 76.005 0.570 14.551 1.00 0.00 H new ATOM 0 HD3 ARG A 63 74.258 0.714 14.537 1.00 0.00 H new ATOM 0 HE ARG A 63 74.125 -1.055 16.144 1.00 0.00 H new ATOM 0 HH11 ARG A 63 76.888 -0.291 17.055 1.00 0.00 H new ATOM 0 HH12 ARG A 63 77.764 -1.820 16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 63 75.379 -3.296 14.839 1.00 0.00 H new ATOM 0 HH22 ARG A 63 76.917 -3.506 15.682 1.00 0.00 H new ATOM 1054 N ARG A 64 78.170 2.231 11.476 1.00 0.00 N ATOM 1055 CA ARG A 64 79.259 3.121 11.950 1.00 0.00 C ATOM 1056 C ARG A 64 79.881 3.845 10.755 1.00 0.00 C ATOM 1057 O ARG A 64 81.064 4.117 10.729 1.00 0.00 O ATOM 1058 CB ARG A 64 80.330 2.291 12.659 1.00 0.00 C ATOM 1059 CG ARG A 64 79.754 1.709 13.952 1.00 0.00 C ATOM 1060 CD ARG A 64 80.790 0.797 14.610 1.00 0.00 C ATOM 1061 NE ARG A 64 80.276 -0.601 14.637 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.066 -1.593 14.328 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.921 -1.465 13.350 1.00 0.00 N ATOM 1064 NH2 ARG A 64 81.002 -2.712 14.996 1.00 0.00 N ATOM 0 H ARG A 64 78.258 1.916 10.510 1.00 0.00 H new ATOM 0 HA ARG A 64 78.851 3.853 12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.673 1.487 12.007 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.197 2.912 12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 64 79.478 2.514 14.634 1.00 0.00 H new ATOM 0 HG3 ARG A 64 78.845 1.148 13.737 1.00 0.00 H new ATOM 0 HD2 ARG A 64 81.730 0.840 14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 64 80.999 1.138 15.624 1.00 0.00 H new ATOM 0 HE ARG A 64 79.307 -0.783 14.897 1.00 0.00 H new ATOM 0 HH11 ARG A 64 81.971 -0.590 12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.539 -2.240 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.334 -2.812 15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 64 81.620 -3.487 14.754 1.00 0.00 H new ATOM 1078 N LEU A 65 79.092 4.160 9.762 1.00 0.00 N ATOM 1079 CA LEU A 65 79.641 4.867 8.574 1.00 0.00 C ATOM 1080 C LEU A 65 80.246 6.198 9.013 1.00 0.00 C ATOM 1081 O LEU A 65 81.163 6.712 8.402 1.00 0.00 O ATOM 1082 CB LEU A 65 78.519 5.124 7.565 1.00 0.00 C ATOM 1083 CG LEU A 65 79.012 6.094 6.490 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.271 5.825 5.180 1.00 0.00 C ATOM 1085 CD2 LEU A 65 78.744 7.532 6.941 1.00 0.00 C ATOM 0 H LEU A 65 78.093 3.958 9.724 1.00 0.00 H new ATOM 0 HA LEU A 65 80.411 4.251 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.205 4.186 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.648 5.538 8.072 1.00 0.00 H new ATOM 0 HG LEU A 65 80.082 5.953 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 65 78.623 6.517 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 78.460 4.801 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.201 5.966 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.095 8.225 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 65 77.674 7.672 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 79.272 7.725 7.875 1.00 0.00 H new ATOM 1097 N LEU A 66 79.736 6.758 10.071 1.00 0.00 N ATOM 1098 CA LEU A 66 80.272 8.055 10.562 1.00 0.00 C ATOM 1099 C LEU A 66 81.723 7.873 11.011 1.00 0.00 C ATOM 1100 O LEU A 66 82.533 8.772 10.909 1.00 0.00 O ATOM 1101 CB LEU A 66 79.430 8.537 11.744 1.00 0.00 C ATOM 1102 CG LEU A 66 79.276 7.401 12.757 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.126 7.699 13.993 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.806 7.277 13.166 1.00 0.00 C ATOM 0 H LEU A 66 78.968 6.372 10.619 1.00 0.00 H new ATOM 0 HA LEU A 66 80.231 8.792 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.905 9.397 12.216 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.450 8.864 11.397 1.00 0.00 H new ATOM 0 HG LEU A 66 79.608 6.466 12.306 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.016 6.889 14.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.173 7.786 13.702 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.796 8.635 14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.696 6.468 13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.473 8.212 13.616 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.200 7.063 12.286 1.00 0.00 H new ATOM 1116 N ARG A 67 82.054 6.714 11.511 1.00 0.00 N ATOM 1117 CA ARG A 67 83.449 6.469 11.971 1.00 0.00 C ATOM 1118 C ARG A 67 84.426 6.707 10.817 1.00 0.00 C ATOM 1119 O ARG A 67 85.618 6.828 11.018 1.00 0.00 O ATOM 1120 CB ARG A 67 83.577 5.023 12.455 1.00 0.00 C ATOM 1121 CG ARG A 67 83.052 4.915 13.887 1.00 0.00 C ATOM 1122 CD ARG A 67 84.221 4.674 14.844 1.00 0.00 C ATOM 1123 NE ARG A 67 83.704 4.516 16.232 1.00 0.00 N ATOM 1124 CZ ARG A 67 84.410 3.875 17.122 1.00 0.00 C ATOM 1125 NH1 ARG A 67 84.705 2.618 16.938 1.00 0.00 N ATOM 1126 NH2 ARG A 67 84.820 4.492 18.196 1.00 0.00 N ATOM 0 H ARG A 67 81.417 5.925 11.621 1.00 0.00 H new ATOM 0 HA ARG A 67 83.684 7.152 12.787 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.015 4.358 11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.619 4.706 12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.526 5.829 14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.333 4.099 13.961 1.00 0.00 H new ATOM 0 HD2 ARG A 67 84.771 3.781 14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.920 5.509 14.798 1.00 0.00 H new ATOM 0 HE ARG A 67 82.798 4.909 16.487 1.00 0.00 H new ATOM 0 HH11 ARG A 67 84.384 2.136 16.098 1.00 0.00 H new ATOM 0 HH12 ARG A 67 85.257 2.117 17.634 1.00 0.00 H new ATOM 0 HH21 ARG A 67 84.588 5.475 18.339 1.00 0.00 H new ATOM 0 HH22 ARG A 67 85.372 3.991 18.892 1.00 0.00 H new ATOM 1140 N TYR A 68 83.936 6.770 9.608 1.00 0.00 N ATOM 1141 CA TYR A 68 84.841 6.993 8.453 1.00 0.00 C ATOM 1142 C TYR A 68 84.564 8.366 7.835 1.00 0.00 C ATOM 1143 O TYR A 68 85.330 9.294 7.995 1.00 0.00 O ATOM 1144 CB TYR A 68 84.611 5.903 7.405 1.00 0.00 C ATOM 1145 CG TYR A 68 85.912 5.185 7.133 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.515 4.423 8.141 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.513 5.283 5.873 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.721 3.758 7.888 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.719 4.617 5.620 1.00 0.00 C ATOM 1150 CZ TYR A 68 88.323 3.855 6.628 1.00 0.00 C ATOM 1151 OH TYR A 68 89.512 3.200 6.379 1.00 0.00 O ATOM 0 H TYR A 68 82.948 6.676 9.374 1.00 0.00 H new ATOM 0 HA TYR A 68 85.875 6.956 8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.860 5.196 7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.227 6.343 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.050 4.348 9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 68 86.047 5.872 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.187 3.170 8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.183 4.691 4.648 1.00 0.00 H new ATOM 0 HH TYR A 68 89.793 3.371 5.456 1.00 0.00 H new ATOM 1161 N LEU A 69 83.481 8.499 7.120 1.00 0.00 N ATOM 1162 CA LEU A 69 83.159 9.807 6.483 1.00 0.00 C ATOM 1163 C LEU A 69 82.941 10.874 7.558 1.00 0.00 C ATOM 1164 O LEU A 69 83.679 11.834 7.649 1.00 0.00 O ATOM 1165 CB LEU A 69 81.888 9.663 5.644 1.00 0.00 C ATOM 1166 CG LEU A 69 81.578 10.991 4.953 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.553 11.205 3.794 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.146 10.961 4.415 1.00 0.00 C ATOM 0 H LEU A 69 82.803 7.756 6.949 1.00 0.00 H new ATOM 0 HA LEU A 69 83.990 10.108 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.018 8.876 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.052 9.368 6.279 1.00 0.00 H new ATOM 0 HG LEU A 69 81.682 11.806 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.331 12.152 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.574 11.225 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.450 10.391 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.923 11.907 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.043 10.145 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.450 10.809 5.240 1.00 0.00 H new ATOM 1180 N GLN A 70 81.929 10.721 8.366 1.00 0.00 N ATOM 1181 CA GLN A 70 81.664 11.731 9.425 1.00 0.00 C ATOM 1182 C GLN A 70 82.953 12.027 10.193 1.00 0.00 C ATOM 1183 O GLN A 70 83.146 13.105 10.716 1.00 0.00 O ATOM 1184 CB GLN A 70 80.619 11.184 10.395 1.00 0.00 C ATOM 1185 CG GLN A 70 80.391 12.191 11.521 1.00 0.00 C ATOM 1186 CD GLN A 70 81.444 11.987 12.611 1.00 0.00 C ATOM 1187 OE1 GLN A 70 81.651 10.882 13.073 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.125 13.012 13.044 1.00 0.00 N ATOM 0 H GLN A 70 81.274 9.939 8.338 1.00 0.00 H new ATOM 0 HA GLN A 70 81.298 12.648 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.684 10.993 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.953 10.232 10.807 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.448 13.207 11.131 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.392 12.066 11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.952 13.940 12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.831 12.886 13.770 1.00 0.00 H new ATOM 1197 N ARG A 71 83.829 11.067 10.273 1.00 0.00 N ATOM 1198 CA ARG A 71 85.103 11.270 11.015 1.00 0.00 C ATOM 1199 C ARG A 71 86.040 12.172 10.208 1.00 0.00 C ATOM 1200 O ARG A 71 86.725 13.015 10.754 1.00 0.00 O ATOM 1201 CB ARG A 71 85.776 9.917 11.253 1.00 0.00 C ATOM 1202 CG ARG A 71 85.188 9.270 12.510 1.00 0.00 C ATOM 1203 CD ARG A 71 85.690 10.014 13.749 1.00 0.00 C ATOM 1204 NE ARG A 71 86.565 9.112 14.549 1.00 0.00 N ATOM 1205 CZ ARG A 71 86.938 9.461 15.750 1.00 0.00 C ATOM 1206 NH1 ARG A 71 86.046 9.639 16.685 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.205 9.632 16.016 1.00 0.00 N ATOM 0 H ARG A 71 83.717 10.144 9.854 1.00 0.00 H new ATOM 0 HA ARG A 71 84.887 11.745 11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.625 9.267 10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.852 10.049 11.368 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.099 9.299 12.472 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.477 8.220 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.243 10.905 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 71 84.846 10.349 14.352 1.00 0.00 H new ATOM 0 HE ARG A 71 86.873 8.222 14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 71 85.056 9.505 16.478 1.00 0.00 H new ATOM 0 HH12 ARG A 71 86.338 9.912 17.623 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.903 9.493 15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 71 88.497 9.905 16.955 1.00 0.00 H new ATOM 1221 N GLU A 72 86.080 12.002 8.915 1.00 0.00 N ATOM 1222 CA GLU A 72 86.975 12.848 8.081 1.00 0.00 C ATOM 1223 C GLU A 72 86.241 14.107 7.645 1.00 0.00 C ATOM 1224 O GLU A 72 86.621 14.783 6.710 1.00 0.00 O ATOM 1225 CB GLU A 72 87.403 12.067 6.849 1.00 0.00 C ATOM 1226 CG GLU A 72 88.359 10.948 7.262 1.00 0.00 C ATOM 1227 CD GLU A 72 89.182 10.504 6.051 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.583 10.092 5.072 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.397 10.584 6.124 1.00 0.00 O ATOM 0 H GLU A 72 85.531 11.313 8.401 1.00 0.00 H new ATOM 0 HA GLU A 72 87.851 13.126 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.530 11.648 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.890 12.731 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.020 11.295 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.796 10.104 7.661 1.00 0.00 H new ATOM 1236 N ASP A 73 85.194 14.416 8.326 1.00 0.00 N ATOM 1237 CA ASP A 73 84.396 15.627 7.991 1.00 0.00 C ATOM 1238 C ASP A 73 83.046 15.555 8.712 1.00 0.00 C ATOM 1239 O ASP A 73 82.257 14.670 8.445 1.00 0.00 O ATOM 1240 CB ASP A 73 84.159 15.675 6.478 1.00 0.00 C ATOM 1241 CG ASP A 73 85.086 16.717 5.849 1.00 0.00 C ATOM 1242 OD1 ASP A 73 86.005 17.149 6.526 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.860 17.066 4.702 1.00 0.00 O ATOM 0 H ASP A 73 84.842 13.877 9.117 1.00 0.00 H new ATOM 0 HA ASP A 73 84.935 16.521 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.345 14.695 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.119 15.925 6.270 1.00 0.00 H new ATOM 1248 N PRO A 74 82.814 16.486 9.604 1.00 0.00 N ATOM 1249 CA PRO A 74 81.559 16.540 10.368 1.00 0.00 C ATOM 1250 C PRO A 74 80.442 17.076 9.479 1.00 0.00 C ATOM 1251 O PRO A 74 79.278 16.784 9.674 1.00 0.00 O ATOM 1252 CB PRO A 74 81.873 17.499 11.518 1.00 0.00 C ATOM 1253 CG PRO A 74 83.068 18.361 11.049 1.00 0.00 C ATOM 1254 CD PRO A 74 83.766 17.567 9.928 1.00 0.00 C ATOM 0 HA PRO A 74 81.222 15.569 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.010 18.124 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.122 16.949 12.426 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.728 19.330 10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 74 83.755 18.554 11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.966 18.195 9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.724 17.168 10.260 1.00 0.00 H new ATOM 1262 N GLU A 75 80.793 17.843 8.490 1.00 0.00 N ATOM 1263 CA GLU A 75 79.766 18.384 7.567 1.00 0.00 C ATOM 1264 C GLU A 75 79.328 17.259 6.632 1.00 0.00 C ATOM 1265 O GLU A 75 78.158 17.074 6.367 1.00 0.00 O ATOM 1266 CB GLU A 75 80.356 19.536 6.751 1.00 0.00 C ATOM 1267 CG GLU A 75 81.528 19.022 5.914 1.00 0.00 C ATOM 1268 CD GLU A 75 82.274 20.206 5.298 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.686 21.271 5.213 1.00 0.00 O ATOM 1270 OE2 GLU A 75 83.421 20.028 4.922 1.00 0.00 O ATOM 0 H GLU A 75 81.752 18.119 8.281 1.00 0.00 H new ATOM 0 HA GLU A 75 78.913 18.760 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.592 19.964 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.692 20.332 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 75 82.204 18.437 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 75 81.165 18.359 5.129 1.00 0.00 H new ATOM 1277 N ARG A 76 80.262 16.490 6.146 1.00 0.00 N ATOM 1278 CA ARG A 76 79.899 15.365 5.250 1.00 0.00 C ATOM 1279 C ARG A 76 78.977 14.417 6.015 1.00 0.00 C ATOM 1280 O ARG A 76 78.305 13.586 5.438 1.00 0.00 O ATOM 1281 CB ARG A 76 81.162 14.620 4.816 1.00 0.00 C ATOM 1282 CG ARG A 76 81.716 15.256 3.540 1.00 0.00 C ATOM 1283 CD ARG A 76 80.742 15.014 2.384 1.00 0.00 C ATOM 1284 NE ARG A 76 81.464 15.158 1.088 1.00 0.00 N ATOM 1285 CZ ARG A 76 80.807 15.493 0.011 1.00 0.00 C ATOM 1286 NH1 ARG A 76 80.131 16.609 -0.020 1.00 0.00 N ATOM 1287 NH2 ARG A 76 80.826 14.712 -1.035 1.00 0.00 N ATOM 0 H ARG A 76 81.259 16.594 6.332 1.00 0.00 H new ATOM 0 HA ARG A 76 79.393 15.743 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.910 14.658 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.935 13.568 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.862 16.326 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.691 14.831 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 76 80.308 14.017 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 76 79.917 15.725 2.434 1.00 0.00 H new ATOM 0 HE ARG A 76 82.470 14.995 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 76 80.116 17.219 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 76 79.618 16.871 -0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.354 13.840 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 76 80.313 14.974 -1.876 1.00 0.00 H new ATOM 1301 N TYR A 77 78.939 14.540 7.318 1.00 0.00 N ATOM 1302 CA TYR A 77 78.060 13.655 8.122 1.00 0.00 C ATOM 1303 C TYR A 77 76.666 14.271 8.221 1.00 0.00 C ATOM 1304 O TYR A 77 76.008 14.180 9.238 1.00 0.00 O ATOM 1305 CB TYR A 77 78.626 13.494 9.531 1.00 0.00 C ATOM 1306 CG TYR A 77 77.736 12.561 10.318 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.373 11.320 9.778 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.276 12.934 11.585 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.550 10.454 10.506 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.453 12.068 12.314 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.090 10.827 11.775 1.00 0.00 C ATOM 1312 OH TYR A 77 75.278 9.973 12.494 1.00 0.00 O ATOM 0 H TYR A 77 79.481 15.217 7.855 1.00 0.00 H new ATOM 0 HA TYR A 77 78.005 12.681 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.640 13.097 9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.685 14.464 10.026 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.729 11.032 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.556 13.891 12.001 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.269 9.498 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.098 12.357 13.292 1.00 0.00 H new ATOM 0 HH TYR A 77 75.050 10.385 13.354 1.00 0.00 H new ATOM 1322 N ARG A 78 76.212 14.905 7.179 1.00 0.00 N ATOM 1323 CA ARG A 78 74.867 15.532 7.223 1.00 0.00 C ATOM 1324 C ARG A 78 74.311 15.677 5.805 1.00 0.00 C ATOM 1325 O ARG A 78 73.512 16.548 5.528 1.00 0.00 O ATOM 1326 CB ARG A 78 74.970 16.910 7.890 1.00 0.00 C ATOM 1327 CG ARG A 78 75.507 17.938 6.890 1.00 0.00 C ATOM 1328 CD ARG A 78 76.626 18.749 7.545 1.00 0.00 C ATOM 1329 NE ARG A 78 76.061 20.002 8.119 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.826 20.810 8.800 1.00 0.00 C ATOM 1331 NH1 ARG A 78 78.022 21.099 8.365 1.00 0.00 N ATOM 1332 NH2 ARG A 78 76.396 21.330 9.918 1.00 0.00 N ATOM 0 H ARG A 78 76.715 15.016 6.299 1.00 0.00 H new ATOM 0 HA ARG A 78 74.192 14.900 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 78 73.991 17.221 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.629 16.855 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.882 17.434 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 78 74.704 18.601 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.105 18.161 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.395 18.987 6.810 1.00 0.00 H new ATOM 0 HE ARG A 78 75.076 20.228 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 78 78.359 20.693 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 78 78.620 21.731 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 78 75.462 21.104 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.995 21.962 10.450 1.00 0.00 H new ATOM 1346 N ALA A 79 74.723 14.828 4.905 1.00 0.00 N ATOM 1347 CA ALA A 79 74.210 14.921 3.516 1.00 0.00 C ATOM 1348 C ALA A 79 73.725 13.556 3.062 1.00 0.00 C ATOM 1349 O ALA A 79 72.547 13.337 2.862 1.00 0.00 O ATOM 1350 CB ALA A 79 75.319 15.420 2.590 1.00 0.00 C ATOM 0 H ALA A 79 75.391 14.076 5.074 1.00 0.00 H new ATOM 0 HA ALA A 79 73.378 15.624 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.939 15.487 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.652 16.404 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.158 14.725 2.619 1.00 0.00 H new ATOM 1356 N LEU A 80 74.616 12.629 2.919 1.00 0.00 N ATOM 1357 CA LEU A 80 74.199 11.267 2.504 1.00 0.00 C ATOM 1358 C LEU A 80 73.484 10.600 3.677 1.00 0.00 C ATOM 1359 O LEU A 80 72.994 9.495 3.573 1.00 0.00 O ATOM 1360 CB LEU A 80 75.428 10.446 2.104 1.00 0.00 C ATOM 1361 CG LEU A 80 76.485 11.367 1.495 1.00 0.00 C ATOM 1362 CD1 LEU A 80 77.634 11.552 2.486 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.022 10.742 0.205 1.00 0.00 C ATOM 0 H LEU A 80 75.617 12.752 3.071 1.00 0.00 H new ATOM 0 HA LEU A 80 73.528 11.327 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.836 9.935 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.145 9.676 1.386 1.00 0.00 H new ATOM 0 HG LEU A 80 76.038 12.336 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.387 12.209 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.253 11.996 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.082 10.584 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.776 11.398 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.469 9.773 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.204 10.609 -0.503 1.00 0.00 H new ATOM 1375 N ILE A 81 73.392 11.274 4.792 1.00 0.00 N ATOM 1376 CA ILE A 81 72.681 10.677 5.946 1.00 0.00 C ATOM 1377 C ILE A 81 71.186 10.715 5.617 1.00 0.00 C ATOM 1378 O ILE A 81 70.419 9.848 5.981 1.00 0.00 O ATOM 1379 CB ILE A 81 73.010 11.456 7.247 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.832 12.335 7.680 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.238 12.330 7.052 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.853 11.485 8.485 1.00 0.00 C ATOM 0 H ILE A 81 73.777 12.205 4.948 1.00 0.00 H new ATOM 0 HA ILE A 81 72.996 9.648 6.118 1.00 0.00 H new ATOM 0 HB ILE A 81 73.207 10.720 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.187 13.172 8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.335 12.757 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.452 12.868 7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.092 11.705 6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.052 13.045 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.010 12.100 8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.492 10.663 7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.357 11.084 9.364 1.00 0.00 H new ATOM 1394 N GLU A 82 70.774 11.719 4.910 1.00 0.00 N ATOM 1395 CA GLU A 82 69.343 11.817 4.541 1.00 0.00 C ATOM 1396 C GLU A 82 69.094 11.125 3.195 1.00 0.00 C ATOM 1397 O GLU A 82 67.980 11.088 2.713 1.00 0.00 O ATOM 1398 CB GLU A 82 68.940 13.290 4.443 1.00 0.00 C ATOM 1399 CG GLU A 82 69.563 13.906 3.190 1.00 0.00 C ATOM 1400 CD GLU A 82 69.952 15.359 3.474 1.00 0.00 C ATOM 1401 OE1 GLU A 82 69.803 15.779 4.609 1.00 0.00 O ATOM 1402 OE2 GLU A 82 70.390 16.025 2.551 1.00 0.00 O ATOM 0 H GLU A 82 71.366 12.477 4.571 1.00 0.00 H new ATOM 0 HA GLU A 82 68.745 11.324 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 82 67.854 13.379 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.273 13.829 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 82 70.442 13.335 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.857 13.863 2.361 1.00 0.00 H new ATOM 1409 N LYS A 83 70.111 10.582 2.571 1.00 0.00 N ATOM 1410 CA LYS A 83 69.890 9.916 1.261 1.00 0.00 C ATOM 1411 C LYS A 83 70.463 8.493 1.262 1.00 0.00 C ATOM 1412 O LYS A 83 70.892 7.996 0.240 1.00 0.00 O ATOM 1413 CB LYS A 83 70.563 10.733 0.157 1.00 0.00 C ATOM 1414 CG LYS A 83 69.827 12.064 -0.015 1.00 0.00 C ATOM 1415 CD LYS A 83 70.458 12.851 -1.166 1.00 0.00 C ATOM 1416 CE LYS A 83 69.369 13.627 -1.910 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.777 12.763 -2.970 1.00 0.00 N ATOM 0 H LYS A 83 71.072 10.573 2.912 1.00 0.00 H new ATOM 0 HA LYS A 83 68.817 9.855 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.608 10.913 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.553 10.176 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.771 11.884 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.880 12.643 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.211 13.539 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.967 12.171 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.595 13.947 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 83 69.790 14.529 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.085 13.312 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 69.530 12.424 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.302 11.949 -2.530 1.00 0.00 H new ATOM 1431 N LEU A 84 70.479 7.825 2.386 1.00 0.00 N ATOM 1432 CA LEU A 84 71.031 6.442 2.410 1.00 0.00 C ATOM 1433 C LEU A 84 70.272 5.560 3.407 1.00 0.00 C ATOM 1434 O LEU A 84 69.689 4.558 3.044 1.00 0.00 O ATOM 1435 CB LEU A 84 72.504 6.495 2.807 1.00 0.00 C ATOM 1436 CG LEU A 84 73.242 7.435 1.860 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.679 7.625 2.350 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.264 6.830 0.453 1.00 0.00 C ATOM 0 H LEU A 84 70.136 8.175 3.281 1.00 0.00 H new ATOM 0 HA LEU A 84 70.921 6.011 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.604 6.842 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.941 5.498 2.763 1.00 0.00 H new ATOM 0 HG LEU A 84 72.732 8.398 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.208 8.297 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.668 8.053 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.186 6.660 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.792 7.502 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.774 5.867 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.242 6.690 0.101 1.00 0.00 H new ATOM 1450 N GLY A 85 70.295 5.911 4.658 1.00 0.00 N ATOM 1451 CA GLY A 85 69.598 5.079 5.687 1.00 0.00 C ATOM 1452 C GLY A 85 70.474 5.025 6.939 1.00 0.00 C ATOM 1453 O GLY A 85 70.774 3.974 7.469 1.00 0.00 O ATOM 0 H GLY A 85 70.767 6.740 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.624 5.507 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.420 4.074 5.305 1.00 0.00 H new ATOM 1457 N ILE A 86 70.907 6.166 7.382 1.00 0.00 N ATOM 1458 CA ILE A 86 71.791 6.266 8.562 1.00 0.00 C ATOM 1459 C ILE A 86 70.957 6.351 9.849 1.00 0.00 C ATOM 1460 O ILE A 86 70.700 5.351 10.491 1.00 0.00 O ATOM 1461 CB ILE A 86 72.622 7.535 8.355 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.178 8.072 9.658 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.752 8.612 7.730 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.640 6.918 10.551 1.00 0.00 C ATOM 0 H ILE A 86 70.674 7.064 6.957 1.00 0.00 H new ATOM 0 HA ILE A 86 72.432 5.391 8.665 1.00 0.00 H new ATOM 0 HB ILE A 86 73.456 7.274 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.013 8.742 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.416 8.658 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.342 9.516 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.376 8.263 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 86 70.913 8.831 8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.038 7.317 11.484 1.00 0.00 H new ATOM 0 HD12 ILE A 86 72.795 6.264 10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.417 6.350 10.039 1.00 0.00 H new ATOM 1476 N ARG A 87 70.527 7.520 10.232 1.00 0.00 N ATOM 1477 CA ARG A 87 69.721 7.660 11.452 1.00 0.00 C ATOM 1478 C ARG A 87 68.244 7.623 11.074 1.00 0.00 C ATOM 1479 O ARG A 87 67.771 6.693 10.451 1.00 0.00 O ATOM 1480 CB ARG A 87 70.086 8.989 12.119 1.00 0.00 C ATOM 1481 CG ARG A 87 71.553 8.960 12.549 1.00 0.00 C ATOM 1482 CD ARG A 87 71.647 9.172 14.061 1.00 0.00 C ATOM 1483 NE ARG A 87 70.831 10.356 14.449 1.00 0.00 N ATOM 1484 CZ ARG A 87 70.671 10.655 15.710 1.00 0.00 C ATOM 1485 NH1 ARG A 87 71.712 10.850 16.471 1.00 0.00 N ATOM 1486 NH2 ARG A 87 69.469 10.757 16.208 1.00 0.00 N ATOM 0 H ARG A 87 70.709 8.392 9.736 1.00 0.00 H new ATOM 0 HA ARG A 87 69.918 6.847 12.150 1.00 0.00 H new ATOM 0 HB2 ARG A 87 69.915 9.814 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.446 9.161 12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.004 8.006 12.276 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.111 9.737 12.027 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.292 8.285 14.586 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.686 9.322 14.354 1.00 0.00 H new ATOM 0 HE ARG A 87 70.397 10.934 13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.651 10.769 16.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 71.587 11.084 17.456 1.00 0.00 H new ATOM 0 HH21 ARG A 87 68.655 10.603 15.612 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.343 10.990 17.193 1.00 0.00 H new ATOM 1500 N GLY A 88 67.523 8.621 11.446 1.00 0.00 N ATOM 1501 CA GLY A 88 66.069 8.666 11.120 1.00 0.00 C ATOM 1502 C GLY A 88 65.867 8.343 9.638 1.00 0.00 C ATOM 1503 O GLY A 88 64.902 7.665 9.327 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.680 8.779 8.841 1.00 0.00 O ATOM 0 H GLY A 88 67.872 9.424 11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 88 65.525 7.950 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 88 65.665 9.653 11.346 1.00 0.00 H new