USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 620 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 Single : A 1 MET CE :methyl -121:sc= -0.124 (180deg=-0.598) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc=-0.00068 K(o=-0.00068,f=-1.4) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 168:sc= -0.0405 (180deg=-0.367) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000255) USER MOD Single : A 42 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.9!) USER MOD Single : A 51 THR OG1 : rot 106:sc= 0.702 USER MOD Single : A 52 GLN :FLIP amide:sc= -3.68! C(o=-4.7!,f=-3.7!) USER MOD Single : A 57 MET CE :methyl -148:sc= -0.324 (180deg=-1.25!) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-2.5,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.386 -33.705 5.619 1.00 0.00 N ATOM 2 CA MET A 1 3.326 -32.779 5.261 1.00 0.00 C ATOM 3 C MET A 1 2.532 -33.294 4.058 1.00 0.00 C ATOM 4 O MET A 1 2.848 -32.966 2.915 1.00 0.00 O ATOM 5 CB MET A 1 3.931 -31.414 4.927 1.00 0.00 C ATOM 6 CG MET A 1 2.924 -30.291 5.180 1.00 0.00 C ATOM 7 SD MET A 1 3.180 -29.595 6.804 1.00 0.00 S ATOM 8 CE MET A 1 4.705 -28.712 6.525 1.00 0.00 C ATOM 0 H1 MET A 1 4.910 -33.334 6.437 1.00 0.00 H new ATOM 0 H2 MET A 1 3.973 -34.628 5.862 1.00 0.00 H new ATOM 0 H3 MET A 1 5.035 -33.817 4.814 1.00 0.00 H new ATOM 0 HA MET A 1 2.647 -32.687 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.823 -31.250 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.245 -31.397 3.883 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.034 -29.516 4.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.908 -30.677 5.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.471 -29.084 7.206 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.030 -28.864 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.547 -27.648 6.703 1.00 0.00 H new ATOM 18 N GLU A 2 1.516 -34.090 4.357 1.00 0.00 N ATOM 19 CA GLU A 2 0.675 -34.653 3.314 1.00 0.00 C ATOM 20 C GLU A 2 -0.340 -33.614 2.833 1.00 0.00 C ATOM 21 O GLU A 2 -0.855 -33.712 1.720 1.00 0.00 O ATOM 22 CB GLU A 2 -0.029 -35.921 3.803 1.00 0.00 C ATOM 23 CG GLU A 2 -1.021 -35.601 4.922 1.00 0.00 C ATOM 24 CD GLU A 2 -1.625 -36.882 5.501 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.563 -37.941 4.861 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.172 -36.750 6.662 1.00 0.00 O ATOM 0 H GLU A 2 1.256 -34.358 5.306 1.00 0.00 H new ATOM 0 HA GLU A 2 1.309 -34.930 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.553 -36.394 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.711 -36.637 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.517 -35.043 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.815 -34.962 4.537 1.00 0.00 H new ATOM 34 N ASN A 3 -0.597 -32.641 3.695 1.00 0.00 N ATOM 35 CA ASN A 3 -1.541 -31.585 3.371 1.00 0.00 C ATOM 36 C ASN A 3 -0.808 -30.457 2.641 1.00 0.00 C ATOM 37 O ASN A 3 -1.425 -29.477 2.226 1.00 0.00 O ATOM 38 CB ASN A 3 -2.167 -30.998 4.639 1.00 0.00 C ATOM 39 CG ASN A 3 -2.847 -32.088 5.470 1.00 0.00 C ATOM 40 OD1 ASN A 3 -2.426 -32.422 6.566 1.00 0.00 O ATOM 41 ND2 ASN A 3 -3.917 -32.624 4.889 1.00 0.00 N ATOM 0 H ASN A 3 -0.168 -32.562 4.617 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.324 -32.013 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.397 -30.508 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.896 -30.234 4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.439 -33.361 5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.215 -32.298 3.970 1.00 0.00 H new ATOM 48 N LEU A 4 0.498 -30.634 2.506 1.00 0.00 N ATOM 49 CA LEU A 4 1.321 -29.644 1.834 1.00 0.00 C ATOM 50 C LEU A 4 0.607 -29.170 0.565 1.00 0.00 C ATOM 51 O LEU A 4 0.607 -27.978 0.259 1.00 0.00 O ATOM 52 CB LEU A 4 2.724 -30.199 1.578 1.00 0.00 C ATOM 53 CG LEU A 4 3.545 -29.480 0.505 1.00 0.00 C ATOM 54 CD1 LEU A 4 4.720 -28.726 1.126 1.00 0.00 C ATOM 55 CD2 LEU A 4 4.000 -30.456 -0.583 1.00 0.00 C ATOM 0 H LEU A 4 1.006 -31.448 2.851 1.00 0.00 H new ATOM 0 HA LEU A 4 1.459 -28.769 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.281 -30.169 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.632 -31.248 1.295 1.00 0.00 H new ATOM 0 HG LEU A 4 2.905 -28.739 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.286 -28.224 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.345 -27.986 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.369 -29.429 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.581 -29.920 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.616 -31.237 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.127 -30.907 -1.055 1.00 0.00 H new ATOM 67 N ASN A 5 0.017 -30.126 -0.135 1.00 0.00 N ATOM 68 CA ASN A 5 -0.699 -29.821 -1.362 1.00 0.00 C ATOM 69 C ASN A 5 -1.530 -28.552 -1.160 1.00 0.00 C ATOM 70 O ASN A 5 -1.689 -27.756 -2.085 1.00 0.00 O ATOM 71 CB ASN A 5 -1.653 -30.955 -1.740 1.00 0.00 C ATOM 72 CG ASN A 5 -2.302 -30.695 -3.102 1.00 0.00 C ATOM 73 OD1 ASN A 5 -1.851 -29.878 -3.887 1.00 0.00 O ATOM 74 ND2 ASN A 5 -3.384 -31.434 -3.335 1.00 0.00 N ATOM 0 H ASN A 5 0.020 -31.113 0.124 1.00 0.00 H new ATOM 0 HA ASN A 5 0.035 -29.688 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.109 -31.899 -1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.426 -31.054 -0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.890 -31.334 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.708 -32.100 -2.633 1.00 0.00 H new ATOM 81 N MET A 6 -2.038 -28.402 0.054 1.00 0.00 N ATOM 82 CA MET A 6 -2.849 -27.244 0.389 1.00 0.00 C ATOM 83 C MET A 6 -2.029 -25.955 0.294 1.00 0.00 C ATOM 84 O MET A 6 -2.250 -25.140 -0.601 1.00 0.00 O ATOM 85 CB MET A 6 -3.397 -27.397 1.809 1.00 0.00 C ATOM 86 CG MET A 6 -4.835 -26.885 1.900 1.00 0.00 C ATOM 87 SD MET A 6 -5.949 -28.245 2.206 1.00 0.00 S ATOM 88 CE MET A 6 -6.725 -28.377 0.603 1.00 0.00 C ATOM 0 H MET A 6 -1.904 -29.064 0.818 1.00 0.00 H new ATOM 0 HA MET A 6 -3.672 -27.183 -0.322 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.361 -28.445 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.766 -26.847 2.507 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.918 -26.149 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.110 -26.381 0.973 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.456 -29.186 0.618 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.226 -27.439 0.363 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.967 -28.587 -0.152 1.00 0.00 H new ATOM 98 N ASP A 7 -1.101 -25.812 1.228 1.00 0.00 N ATOM 99 CA ASP A 7 -0.247 -24.637 1.261 1.00 0.00 C ATOM 100 C ASP A 7 0.343 -24.401 -0.131 1.00 0.00 C ATOM 101 O ASP A 7 0.734 -23.283 -0.463 1.00 0.00 O ATOM 102 CB ASP A 7 0.912 -24.825 2.241 1.00 0.00 C ATOM 103 CG ASP A 7 2.093 -25.633 1.698 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.264 -26.816 2.029 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.868 -24.992 0.890 1.00 0.00 O ATOM 0 H ASP A 7 -0.921 -26.491 1.968 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.853 -23.789 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.273 -23.843 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.535 -25.319 3.137 1.00 0.00 H new ATOM 111 N LEU A 8 0.390 -25.474 -0.908 1.00 0.00 N ATOM 112 CA LEU A 8 0.926 -25.397 -2.256 1.00 0.00 C ATOM 113 C LEU A 8 0.120 -24.379 -3.065 1.00 0.00 C ATOM 114 O LEU A 8 0.670 -23.398 -3.561 1.00 0.00 O ATOM 115 CB LEU A 8 0.975 -26.788 -2.893 1.00 0.00 C ATOM 116 CG LEU A 8 2.189 -27.079 -3.777 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.366 -27.588 -2.942 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.828 -28.045 -4.906 1.00 0.00 C ATOM 0 H LEU A 8 0.066 -26.400 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 8 1.957 -25.043 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.944 -27.532 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.074 -26.924 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 8 2.503 -26.145 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.216 -27.787 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.643 -26.834 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.079 -28.506 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.709 -28.234 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.473 -28.984 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.044 -27.606 -5.524 1.00 0.00 H new ATOM 130 N LEU A 9 -1.174 -24.648 -3.173 1.00 0.00 N ATOM 131 CA LEU A 9 -2.062 -23.768 -3.913 1.00 0.00 C ATOM 132 C LEU A 9 -2.337 -22.513 -3.083 1.00 0.00 C ATOM 133 O LEU A 9 -2.234 -21.396 -3.587 1.00 0.00 O ATOM 134 CB LEU A 9 -3.329 -24.515 -4.333 1.00 0.00 C ATOM 135 CG LEU A 9 -3.891 -24.159 -5.711 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.718 -25.322 -6.691 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.349 -23.708 -5.608 1.00 0.00 C ATOM 0 H LEU A 9 -1.628 -25.463 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.589 -23.442 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.120 -25.585 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.102 -24.327 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.321 -23.318 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.126 -25.043 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.658 -25.555 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.247 -26.197 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.724 -23.461 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.949 -24.512 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.414 -22.829 -4.967 1.00 0.00 H new ATOM 149 N TYR A 10 -2.678 -22.737 -1.822 1.00 0.00 N ATOM 150 CA TYR A 10 -2.967 -21.638 -0.918 1.00 0.00 C ATOM 151 C TYR A 10 -1.855 -20.588 -0.957 1.00 0.00 C ATOM 152 O TYR A 10 -2.119 -19.394 -0.822 1.00 0.00 O ATOM 153 CB TYR A 10 -3.026 -22.250 0.484 1.00 0.00 C ATOM 154 CG TYR A 10 -2.328 -21.413 1.558 1.00 0.00 C ATOM 155 CD1 TYR A 10 -0.950 -21.404 1.639 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.077 -20.667 2.445 1.00 0.00 C ATOM 157 CE1 TYR A 10 -0.294 -20.616 2.650 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.420 -19.879 3.456 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.061 -19.892 3.508 1.00 0.00 C ATOM 160 OH TYR A 10 -0.441 -19.149 4.462 1.00 0.00 O ATOM 0 H TYR A 10 -2.760 -23.664 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.898 -21.145 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.070 -22.387 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.571 -23.240 0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.364 -21.988 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.155 -20.674 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.783 -20.600 2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.994 -19.291 4.157 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.113 -18.684 5.002 1.00 0.00 H new ATOM 170 N MET A 11 -0.635 -21.072 -1.142 1.00 0.00 N ATOM 171 CA MET A 11 0.518 -20.189 -1.201 1.00 0.00 C ATOM 172 C MET A 11 0.515 -19.369 -2.492 1.00 0.00 C ATOM 173 O MET A 11 0.544 -18.140 -2.452 1.00 0.00 O ATOM 174 CB MET A 11 1.800 -21.021 -1.125 1.00 0.00 C ATOM 175 CG MET A 11 3.028 -20.164 -1.440 1.00 0.00 C ATOM 176 SD MET A 11 4.490 -21.187 -1.491 1.00 0.00 S ATOM 177 CE MET A 11 4.942 -21.167 0.236 1.00 0.00 C ATOM 0 H MET A 11 -0.420 -22.063 -1.253 1.00 0.00 H new ATOM 0 HA MET A 11 0.470 -19.501 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.899 -21.453 -0.129 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.741 -21.852 -1.828 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.894 -19.659 -2.397 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.144 -19.388 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.843 -21.763 0.383 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.130 -20.141 0.551 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.129 -21.585 0.830 1.00 0.00 H new ATOM 187 N ALA A 12 0.482 -20.083 -3.608 1.00 0.00 N ATOM 188 CA ALA A 12 0.475 -19.436 -4.910 1.00 0.00 C ATOM 189 C ALA A 12 -0.641 -18.391 -4.950 1.00 0.00 C ATOM 190 O ALA A 12 -0.600 -17.465 -5.758 1.00 0.00 O ATOM 191 CB ALA A 12 0.323 -20.494 -6.004 1.00 0.00 C ATOM 0 H ALA A 12 0.460 -21.102 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 12 1.417 -18.918 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.318 -20.010 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.156 -21.195 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.614 -21.033 -5.861 1.00 0.00 H new ATOM 197 N ALA A 13 -1.611 -18.574 -4.066 1.00 0.00 N ATOM 198 CA ALA A 13 -2.736 -17.658 -3.990 1.00 0.00 C ATOM 199 C ALA A 13 -2.297 -16.373 -3.285 1.00 0.00 C ATOM 200 O ALA A 13 -2.026 -15.365 -3.936 1.00 0.00 O ATOM 201 CB ALA A 13 -3.906 -18.343 -3.279 1.00 0.00 C ATOM 0 H ALA A 13 -1.641 -19.343 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.076 -17.385 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.750 -17.656 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.200 -19.233 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.603 -18.629 -2.272 1.00 0.00 H new ATOM 207 N ALA A 14 -2.239 -16.452 -1.963 1.00 0.00 N ATOM 208 CA ALA A 14 -1.836 -15.308 -1.163 1.00 0.00 C ATOM 209 C ALA A 14 -0.618 -14.645 -1.806 1.00 0.00 C ATOM 210 O ALA A 14 -0.616 -13.437 -2.044 1.00 0.00 O ATOM 211 CB ALA A 14 -1.564 -15.760 0.273 1.00 0.00 C ATOM 0 H ALA A 14 -2.464 -17.290 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.633 -14.566 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.262 -14.902 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.469 -16.197 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.767 -16.504 0.276 1.00 0.00 H new ATOM 217 N VAL A 15 0.391 -15.462 -2.071 1.00 0.00 N ATOM 218 CA VAL A 15 1.613 -14.969 -2.683 1.00 0.00 C ATOM 219 C VAL A 15 1.259 -14.062 -3.864 1.00 0.00 C ATOM 220 O VAL A 15 1.701 -12.916 -3.925 1.00 0.00 O ATOM 221 CB VAL A 15 2.510 -16.143 -3.079 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.634 -15.684 -4.011 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.076 -16.844 -1.842 1.00 0.00 C ATOM 0 H VAL A 15 0.387 -16.463 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 15 2.180 -14.369 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 15 1.898 -16.864 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.257 -16.538 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.204 -15.253 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.243 -14.934 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.710 -17.675 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.665 -16.135 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.256 -17.222 -1.231 1.00 0.00 H new ATOM 233 N MET A 16 0.463 -14.610 -4.770 1.00 0.00 N ATOM 234 CA MET A 16 0.043 -13.866 -5.946 1.00 0.00 C ATOM 235 C MET A 16 -0.573 -12.522 -5.552 1.00 0.00 C ATOM 236 O MET A 16 -0.284 -11.497 -6.167 1.00 0.00 O ATOM 237 CB MET A 16 -0.980 -14.686 -6.732 1.00 0.00 C ATOM 238 CG MET A 16 -0.335 -15.340 -7.955 1.00 0.00 C ATOM 239 SD MET A 16 -1.321 -16.727 -8.498 1.00 0.00 S ATOM 240 CE MET A 16 -0.029 -17.912 -8.831 1.00 0.00 C ATOM 0 H MET A 16 0.098 -15.561 -4.714 1.00 0.00 H new ATOM 0 HA MET A 16 0.920 -13.676 -6.565 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.408 -15.454 -6.088 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.801 -14.043 -7.050 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.242 -14.612 -8.761 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.673 -15.674 -7.710 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.469 -18.899 -8.975 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.509 -17.620 -9.733 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.663 -17.942 -7.989 1.00 0.00 H new ATOM 250 N MET A 17 -1.413 -12.569 -4.527 1.00 0.00 N ATOM 251 CA MET A 17 -2.073 -11.369 -4.044 1.00 0.00 C ATOM 252 C MET A 17 -1.053 -10.350 -3.533 1.00 0.00 C ATOM 253 O MET A 17 -1.152 -9.162 -3.835 1.00 0.00 O ATOM 254 CB MET A 17 -3.037 -11.736 -2.914 1.00 0.00 C ATOM 255 CG MET A 17 -4.074 -12.756 -3.389 1.00 0.00 C ATOM 256 SD MET A 17 -4.949 -13.435 -1.988 1.00 0.00 S ATOM 257 CE MET A 17 -6.527 -12.623 -2.186 1.00 0.00 C ATOM 0 H MET A 17 -1.651 -13.420 -4.018 1.00 0.00 H new ATOM 0 HA MET A 17 -2.623 -10.921 -4.872 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.478 -12.145 -2.072 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.542 -10.839 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.778 -12.280 -4.072 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.582 -13.555 -3.944 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.200 -12.936 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.389 -11.543 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.957 -12.894 -3.150 1.00 0.00 H new ATOM 267 N GLY A 18 -0.096 -10.852 -2.767 1.00 0.00 N ATOM 268 CA GLY A 18 0.943 -10.000 -2.211 1.00 0.00 C ATOM 269 C GLY A 18 1.742 -9.313 -3.321 1.00 0.00 C ATOM 270 O GLY A 18 2.040 -8.125 -3.231 1.00 0.00 O ATOM 0 H GLY A 18 -0.018 -11.838 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.493 -9.248 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.613 -10.595 -1.591 1.00 0.00 H new ATOM 274 N LEU A 19 2.065 -10.094 -4.342 1.00 0.00 N ATOM 275 CA LEU A 19 2.825 -9.577 -5.467 1.00 0.00 C ATOM 276 C LEU A 19 2.013 -8.483 -6.165 1.00 0.00 C ATOM 277 O LEU A 19 2.375 -7.309 -6.116 1.00 0.00 O ATOM 278 CB LEU A 19 3.249 -10.716 -6.397 1.00 0.00 C ATOM 279 CG LEU A 19 4.576 -11.398 -6.060 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.577 -11.917 -4.621 1.00 0.00 C ATOM 281 CD2 LEU A 19 4.895 -12.504 -7.068 1.00 0.00 C ATOM 0 H LEU A 19 1.814 -11.080 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 19 3.751 -9.117 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.464 -11.472 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.312 -10.325 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 19 5.370 -10.655 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.532 -12.397 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.428 -11.084 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.771 -12.640 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.843 -12.973 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.103 -13.253 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.966 -12.076 -8.068 1.00 0.00 H new ATOM 293 N ALA A 20 0.929 -8.909 -6.797 1.00 0.00 N ATOM 294 CA ALA A 20 0.062 -7.980 -7.503 1.00 0.00 C ATOM 295 C ALA A 20 -0.206 -6.763 -6.616 1.00 0.00 C ATOM 296 O ALA A 20 0.143 -5.640 -6.974 1.00 0.00 O ATOM 297 CB ALA A 20 -1.226 -8.696 -7.915 1.00 0.00 C ATOM 0 H ALA A 20 0.631 -9.884 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 20 0.543 -7.624 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.876 -7.999 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.983 -9.534 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.737 -9.065 -7.026 1.00 0.00 H new ATOM 303 N ALA A 21 -0.823 -7.029 -5.474 1.00 0.00 N ATOM 304 CA ALA A 21 -1.143 -5.969 -4.532 1.00 0.00 C ATOM 305 C ALA A 21 0.068 -5.044 -4.382 1.00 0.00 C ATOM 306 O ALA A 21 -0.043 -3.834 -4.571 1.00 0.00 O ATOM 307 CB ALA A 21 -1.576 -6.584 -3.200 1.00 0.00 C ATOM 0 H ALA A 21 -1.110 -7.963 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.974 -5.367 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.816 -5.790 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.456 -7.208 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.765 -7.193 -2.800 1.00 0.00 H new ATOM 313 N ILE A 22 1.196 -5.651 -4.042 1.00 0.00 N ATOM 314 CA ILE A 22 2.426 -4.899 -3.864 1.00 0.00 C ATOM 315 C ILE A 22 2.670 -4.028 -5.098 1.00 0.00 C ATOM 316 O ILE A 22 3.145 -2.899 -4.982 1.00 0.00 O ATOM 317 CB ILE A 22 3.588 -5.839 -3.536 1.00 0.00 C ATOM 318 CG1 ILE A 22 3.530 -6.292 -2.076 1.00 0.00 C ATOM 319 CG2 ILE A 22 4.930 -5.194 -3.885 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.407 -7.525 -1.850 1.00 0.00 C ATOM 0 H ILE A 22 1.283 -6.655 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 22 2.340 -4.227 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 22 3.491 -6.732 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.861 -5.482 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.500 -6.519 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.739 -5.883 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.957 -4.964 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.052 -4.275 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.348 -7.827 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.058 -8.341 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.441 -7.287 -2.101 1.00 0.00 H new ATOM 332 N GLY A 23 2.332 -4.585 -6.252 1.00 0.00 N ATOM 333 CA GLY A 23 2.508 -3.873 -7.507 1.00 0.00 C ATOM 334 C GLY A 23 1.760 -2.539 -7.490 1.00 0.00 C ATOM 335 O GLY A 23 2.376 -1.477 -7.563 1.00 0.00 O ATOM 0 H GLY A 23 1.937 -5.521 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.569 -3.697 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.145 -4.487 -8.331 1.00 0.00 H new ATOM 339 N ASP A 24 0.442 -2.637 -7.391 1.00 0.00 N ATOM 340 CA ASP A 24 -0.397 -1.451 -7.364 1.00 0.00 C ATOM 341 C ASP A 24 0.028 -0.558 -6.196 1.00 0.00 C ATOM 342 O ASP A 24 0.404 0.595 -6.397 1.00 0.00 O ATOM 343 CB ASP A 24 -1.868 -1.822 -7.166 1.00 0.00 C ATOM 344 CG ASP A 24 -2.834 -1.194 -8.172 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.731 -0.003 -8.499 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.735 -1.994 -8.634 1.00 0.00 O ATOM 0 H ASP A 24 -0.065 -3.520 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.281 -0.933 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.964 -2.906 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.170 -1.526 -6.161 1.00 0.00 H new ATOM 352 N ALA A 25 -0.047 -1.126 -5.002 1.00 0.00 N ATOM 353 CA ALA A 25 0.325 -0.397 -3.801 1.00 0.00 C ATOM 354 C ALA A 25 1.603 0.401 -4.070 1.00 0.00 C ATOM 355 O ALA A 25 1.828 1.444 -3.459 1.00 0.00 O ATOM 356 CB ALA A 25 0.482 -1.376 -2.636 1.00 0.00 C ATOM 0 H ALA A 25 -0.360 -2.083 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.455 0.313 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.761 -0.828 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.462 -1.895 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.259 -2.103 -2.874 1.00 0.00 H new ATOM 362 N ILE A 26 2.406 -0.121 -4.984 1.00 0.00 N ATOM 363 CA ILE A 26 3.656 0.528 -5.342 1.00 0.00 C ATOM 364 C ILE A 26 3.369 1.687 -6.299 1.00 0.00 C ATOM 365 O ILE A 26 3.819 2.809 -6.075 1.00 0.00 O ATOM 366 CB ILE A 26 4.653 -0.492 -5.894 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.623 -0.956 -4.805 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.385 0.062 -7.117 1.00 0.00 C ATOM 369 CD1 ILE A 26 6.962 -1.385 -5.410 1.00 0.00 C ATOM 0 H ILE A 26 2.216 -0.987 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 26 4.129 0.954 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 26 4.096 -1.369 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.785 -0.150 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.185 -1.788 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.088 -0.684 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.662 0.300 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.928 0.965 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.633 -1.710 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.800 -2.207 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.408 -0.543 -5.940 1.00 0.00 H new ATOM 381 N GLY A 27 2.620 1.374 -7.346 1.00 0.00 N ATOM 382 CA GLY A 27 2.266 2.375 -8.339 1.00 0.00 C ATOM 383 C GLY A 27 2.052 3.742 -7.687 1.00 0.00 C ATOM 384 O GLY A 27 2.534 4.756 -8.190 1.00 0.00 O ATOM 0 H GLY A 27 2.248 0.442 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.055 2.445 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.358 2.070 -8.860 1.00 0.00 H new ATOM 388 N ILE A 28 1.329 3.726 -6.577 1.00 0.00 N ATOM 389 CA ILE A 28 1.046 4.953 -5.850 1.00 0.00 C ATOM 390 C ILE A 28 2.295 5.383 -5.078 1.00 0.00 C ATOM 391 O ILE A 28 2.731 6.529 -5.185 1.00 0.00 O ATOM 392 CB ILE A 28 -0.192 4.779 -4.968 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.123 3.705 -5.536 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.912 6.114 -4.766 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.933 2.374 -4.808 1.00 0.00 C ATOM 0 H ILE A 28 0.930 2.883 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 28 0.805 5.759 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 28 0.133 4.436 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.159 4.030 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.925 3.573 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.788 5.963 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.237 6.822 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.224 6.509 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.606 1.629 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.098 2.040 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.155 2.504 -3.749 1.00 0.00 H new ATOM 407 N GLY A 29 2.836 4.443 -4.319 1.00 0.00 N ATOM 408 CA GLY A 29 4.026 4.711 -3.529 1.00 0.00 C ATOM 409 C GLY A 29 5.055 5.502 -4.339 1.00 0.00 C ATOM 410 O GLY A 29 5.526 6.549 -3.898 1.00 0.00 O ATOM 0 H GLY A 29 2.472 3.494 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.754 5.271 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.465 3.771 -3.196 1.00 0.00 H new ATOM 414 N ILE A 30 5.373 4.971 -5.511 1.00 0.00 N ATOM 415 CA ILE A 30 6.337 5.614 -6.387 1.00 0.00 C ATOM 416 C ILE A 30 5.763 6.942 -6.883 1.00 0.00 C ATOM 417 O ILE A 30 6.503 7.899 -7.103 1.00 0.00 O ATOM 418 CB ILE A 30 6.754 4.666 -7.513 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.969 3.830 -7.104 1.00 0.00 C ATOM 420 CG2 ILE A 30 6.997 5.433 -8.814 1.00 0.00 C ATOM 421 CD1 ILE A 30 7.607 2.845 -5.990 1.00 0.00 C ATOM 0 H ILE A 30 4.980 4.103 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 30 7.252 5.846 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 30 5.933 3.973 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.347 3.284 -7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.770 4.487 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.292 4.735 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.082 5.946 -9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.790 6.165 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.488 2.263 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.252 3.396 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.822 2.174 -6.339 1.00 0.00 H new ATOM 433 N LEU A 31 4.448 6.959 -7.043 1.00 0.00 N ATOM 434 CA LEU A 31 3.765 8.154 -7.509 1.00 0.00 C ATOM 435 C LEU A 31 4.096 9.321 -6.576 1.00 0.00 C ATOM 436 O LEU A 31 4.430 10.412 -7.036 1.00 0.00 O ATOM 437 CB LEU A 31 2.264 7.891 -7.656 1.00 0.00 C ATOM 438 CG LEU A 31 1.611 8.434 -8.928 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.247 7.781 -9.165 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.515 9.960 -8.888 1.00 0.00 C ATOM 0 H LEU A 31 3.837 6.164 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 31 4.116 8.430 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.098 6.814 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.753 8.324 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 31 2.246 8.174 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.196 8.184 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.373 6.703 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.408 7.990 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.047 10.319 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.915 10.264 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.515 10.385 -8.800 1.00 0.00 H new ATOM 452 N GLY A 32 3.994 9.052 -5.283 1.00 0.00 N ATOM 453 CA GLY A 32 4.278 10.066 -4.282 1.00 0.00 C ATOM 454 C GLY A 32 5.615 10.754 -4.564 1.00 0.00 C ATOM 455 O GLY A 32 5.748 11.961 -4.372 1.00 0.00 O ATOM 0 H GLY A 32 3.718 8.146 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.478 10.807 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.301 9.609 -3.293 1.00 0.00 H new ATOM 459 N GLY A 33 6.571 9.956 -5.015 1.00 0.00 N ATOM 460 CA GLY A 33 7.893 10.473 -5.325 1.00 0.00 C ATOM 461 C GLY A 33 7.897 11.197 -6.674 1.00 0.00 C ATOM 462 O GLY A 33 8.550 12.227 -6.828 1.00 0.00 O ATOM 0 H GLY A 33 6.457 8.955 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.213 11.158 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.612 9.654 -5.346 1.00 0.00 H new ATOM 466 N LYS A 34 7.158 10.628 -7.616 1.00 0.00 N ATOM 467 CA LYS A 34 7.068 11.206 -8.947 1.00 0.00 C ATOM 468 C LYS A 34 6.136 12.418 -8.909 1.00 0.00 C ATOM 469 O LYS A 34 5.939 13.086 -9.923 1.00 0.00 O ATOM 470 CB LYS A 34 6.654 10.143 -9.965 1.00 0.00 C ATOM 471 CG LYS A 34 7.752 9.922 -11.007 1.00 0.00 C ATOM 472 CD LYS A 34 7.448 8.700 -11.875 1.00 0.00 C ATOM 473 CE LYS A 34 8.730 7.939 -12.218 1.00 0.00 C ATOM 474 NZ LYS A 34 9.572 8.731 -13.143 1.00 0.00 N ATOM 0 H LYS A 34 6.617 9.774 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 34 8.044 11.564 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.442 9.206 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.733 10.449 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.843 10.806 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.711 9.787 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.758 8.039 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.952 9.016 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.286 7.722 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.480 6.981 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.430 8.193 -13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.039 8.931 -14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.840 9.627 -12.688 1.00 0.00 H new ATOM 488 N PHE A 35 5.587 12.666 -7.728 1.00 0.00 N ATOM 489 CA PHE A 35 4.679 13.786 -7.546 1.00 0.00 C ATOM 490 C PHE A 35 5.412 14.994 -6.958 1.00 0.00 C ATOM 491 O PHE A 35 5.147 16.132 -7.343 1.00 0.00 O ATOM 492 CB PHE A 35 3.600 13.331 -6.562 1.00 0.00 C ATOM 493 CG PHE A 35 2.324 14.175 -6.603 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.719 14.435 -7.794 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.795 14.665 -5.451 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.536 15.220 -7.833 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.611 15.449 -5.489 1.00 0.00 C ATOM 498 CZ PHE A 35 0.007 15.710 -6.680 1.00 0.00 C ATOM 0 H PHE A 35 5.754 12.111 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 35 4.255 14.083 -8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.344 12.293 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.009 13.358 -5.552 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.138 14.044 -8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.275 14.458 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.057 15.428 -8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.191 15.838 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.893 16.307 -6.710 1.00 0.00 H new ATOM 508 N LEU A 36 6.318 14.706 -6.036 1.00 0.00 N ATOM 509 CA LEU A 36 7.091 15.754 -5.392 1.00 0.00 C ATOM 510 C LEU A 36 7.625 16.714 -6.455 1.00 0.00 C ATOM 511 O LEU A 36 7.363 17.914 -6.402 1.00 0.00 O ATOM 512 CB LEU A 36 8.181 15.148 -4.505 1.00 0.00 C ATOM 513 CG LEU A 36 9.144 16.142 -3.854 1.00 0.00 C ATOM 514 CD1 LEU A 36 8.402 17.082 -2.901 1.00 0.00 C ATOM 515 CD2 LEU A 36 10.296 15.414 -3.158 1.00 0.00 C ATOM 0 H LEU A 36 6.534 13.761 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 36 6.458 16.339 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.700 14.569 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.763 14.448 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 36 9.580 16.759 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.110 17.778 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.647 17.640 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.920 16.499 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.966 16.144 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.897 14.757 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.847 14.822 -3.889 1.00 0.00 H new ATOM 527 N GLU A 37 8.368 16.150 -7.397 1.00 0.00 N ATOM 528 CA GLU A 37 8.942 16.940 -8.472 1.00 0.00 C ATOM 529 C GLU A 37 7.835 17.602 -9.295 1.00 0.00 C ATOM 530 O GLU A 37 8.022 18.694 -9.829 1.00 0.00 O ATOM 531 CB GLU A 37 9.849 16.084 -9.359 1.00 0.00 C ATOM 532 CG GLU A 37 11.324 16.344 -9.048 1.00 0.00 C ATOM 533 CD GLU A 37 12.190 15.157 -9.474 1.00 0.00 C ATOM 534 OE1 GLU A 37 12.409 14.948 -10.677 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.645 14.438 -8.504 1.00 0.00 O ATOM 0 H GLU A 37 8.585 15.154 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 37 9.557 17.724 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.622 15.029 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.651 16.304 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.655 17.245 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.448 16.525 -7.980 1.00 0.00 H new ATOM 543 N GLY A 38 6.707 16.911 -9.372 1.00 0.00 N ATOM 544 CA GLY A 38 5.570 17.418 -10.121 1.00 0.00 C ATOM 545 C GLY A 38 4.942 18.623 -9.418 1.00 0.00 C ATOM 546 O GLY A 38 4.664 19.640 -10.050 1.00 0.00 O ATOM 0 H GLY A 38 6.556 16.005 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.889 17.703 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.825 16.630 -10.235 1.00 0.00 H new ATOM 550 N ALA A 39 4.736 18.467 -8.118 1.00 0.00 N ATOM 551 CA ALA A 39 4.146 19.529 -7.321 1.00 0.00 C ATOM 552 C ALA A 39 5.198 20.608 -7.059 1.00 0.00 C ATOM 553 O ALA A 39 4.864 21.721 -6.654 1.00 0.00 O ATOM 554 CB ALA A 39 3.578 18.942 -6.027 1.00 0.00 C ATOM 0 H ALA A 39 4.967 17.621 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 39 3.320 19.997 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.136 19.739 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.815 18.202 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.379 18.466 -5.461 1.00 0.00 H new ATOM 560 N ALA A 40 6.448 20.242 -7.300 1.00 0.00 N ATOM 561 CA ALA A 40 7.551 21.165 -7.094 1.00 0.00 C ATOM 562 C ALA A 40 7.316 22.427 -7.927 1.00 0.00 C ATOM 563 O ALA A 40 7.917 23.468 -7.666 1.00 0.00 O ATOM 564 CB ALA A 40 8.869 20.472 -7.448 1.00 0.00 C ATOM 0 H ALA A 40 6.722 19.319 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 40 7.610 21.465 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.697 21.164 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.003 19.598 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.847 20.160 -8.492 1.00 0.00 H new ATOM 570 N ARG A 41 6.440 22.293 -8.911 1.00 0.00 N ATOM 571 CA ARG A 41 6.117 23.410 -9.783 1.00 0.00 C ATOM 572 C ARG A 41 5.418 24.518 -8.991 1.00 0.00 C ATOM 573 O ARG A 41 5.604 25.700 -9.273 1.00 0.00 O ATOM 574 CB ARG A 41 5.212 22.967 -10.934 1.00 0.00 C ATOM 575 CG ARG A 41 6.027 22.711 -12.204 1.00 0.00 C ATOM 576 CD ARG A 41 7.096 21.644 -11.963 1.00 0.00 C ATOM 577 NE ARG A 41 7.234 20.785 -13.161 1.00 0.00 N ATOM 578 CZ ARG A 41 8.034 21.073 -14.210 1.00 0.00 C ATOM 579 NH1 ARG A 41 8.777 22.200 -14.217 1.00 0.00 N ATOM 580 NH2 ARG A 41 8.080 20.234 -15.228 1.00 0.00 N ATOM 0 H ARG A 41 5.943 21.428 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 41 7.052 23.788 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.676 22.060 -10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.462 23.734 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.364 22.391 -13.008 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.500 23.637 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.050 22.119 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.827 21.037 -11.099 1.00 0.00 H new ATOM 0 HE ARG A 41 6.691 19.922 -13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.737 22.842 -13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.378 22.409 -15.014 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.517 19.384 -15.214 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.679 20.436 -16.029 1.00 0.00 H new ATOM 594 N GLN A 42 4.628 24.094 -8.015 1.00 0.00 N ATOM 595 CA GLN A 42 3.901 25.034 -7.180 1.00 0.00 C ATOM 596 C GLN A 42 4.354 24.914 -5.724 1.00 0.00 C ATOM 597 O GLN A 42 4.204 23.860 -5.108 1.00 0.00 O ATOM 598 CB GLN A 42 2.390 24.821 -7.303 1.00 0.00 C ATOM 599 CG GLN A 42 2.050 23.331 -7.375 1.00 0.00 C ATOM 600 CD GLN A 42 2.076 22.832 -8.821 1.00 0.00 C ATOM 601 OE1 GLN A 42 2.785 21.904 -9.172 1.00 0.00 O ATOM 602 NE2 GLN A 42 1.266 23.499 -9.638 1.00 0.00 N ATOM 0 H GLN A 42 4.476 23.112 -7.784 1.00 0.00 H new ATOM 0 HA GLN A 42 4.123 26.043 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.885 25.272 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.020 25.326 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.763 22.762 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.064 23.158 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.699 24.267 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.212 23.243 -10.624 1.00 0.00 H new ATOM 611 N PRO A 43 4.917 26.037 -5.203 1.00 0.00 N ATOM 612 CA PRO A 43 5.394 26.067 -3.830 1.00 0.00 C ATOM 613 C PRO A 43 4.226 26.152 -2.845 1.00 0.00 C ATOM 614 O PRO A 43 4.431 26.151 -1.633 1.00 0.00 O ATOM 615 CB PRO A 43 6.317 27.272 -3.761 1.00 0.00 C ATOM 616 CG PRO A 43 5.963 28.138 -4.960 1.00 0.00 C ATOM 617 CD PRO A 43 5.111 27.303 -5.903 1.00 0.00 C ATOM 0 HA PRO A 43 5.926 25.158 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.176 27.819 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.362 26.966 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.420 29.028 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.867 28.480 -5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.159 27.790 -6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.610 27.154 -6.861 1.00 0.00 H new ATOM 625 N ASP A 44 3.026 26.224 -3.404 1.00 0.00 N ATOM 626 CA ASP A 44 1.826 26.308 -2.590 1.00 0.00 C ATOM 627 C ASP A 44 1.150 24.937 -2.539 1.00 0.00 C ATOM 628 O ASP A 44 0.005 24.820 -2.106 1.00 0.00 O ATOM 629 CB ASP A 44 0.828 27.305 -3.183 1.00 0.00 C ATOM 630 CG ASP A 44 0.630 28.585 -2.368 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.236 28.652 -1.484 1.00 0.00 O ATOM 632 OD2 ASP A 44 1.421 29.556 -2.678 1.00 0.00 O ATOM 0 H ASP A 44 2.860 26.226 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 44 2.118 26.638 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.161 27.578 -4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.136 26.809 -3.292 1.00 0.00 H new ATOM 638 N LEU A 45 1.889 23.933 -2.987 1.00 0.00 N ATOM 639 CA LEU A 45 1.377 22.573 -2.998 1.00 0.00 C ATOM 640 C LEU A 45 2.418 21.634 -2.388 1.00 0.00 C ATOM 641 O LEU A 45 2.360 20.422 -2.585 1.00 0.00 O ATOM 642 CB LEU A 45 0.943 22.176 -4.410 1.00 0.00 C ATOM 643 CG LEU A 45 -0.454 22.631 -4.836 1.00 0.00 C ATOM 644 CD1 LEU A 45 -0.461 24.117 -5.198 1.00 0.00 C ATOM 645 CD2 LEU A 45 -0.991 21.761 -5.975 1.00 0.00 C ATOM 0 H LEU A 45 2.839 24.034 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 45 0.482 22.499 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.667 22.580 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.990 21.090 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.127 22.503 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.466 24.414 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.152 24.704 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.230 24.294 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.985 22.106 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.323 21.833 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.047 20.724 -5.645 1.00 0.00 H new ATOM 657 N ILE A 46 3.351 22.231 -1.657 1.00 0.00 N ATOM 658 CA ILE A 46 4.405 21.462 -1.018 1.00 0.00 C ATOM 659 C ILE A 46 3.837 20.755 0.214 1.00 0.00 C ATOM 660 O ILE A 46 4.002 19.545 0.370 1.00 0.00 O ATOM 661 CB ILE A 46 5.609 22.356 -0.713 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.661 22.255 -1.819 1.00 0.00 C ATOM 663 CG2 ILE A 46 6.194 22.037 0.664 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.138 20.811 -1.991 1.00 0.00 C ATOM 0 H ILE A 46 3.398 23.237 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 46 4.774 20.687 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 46 5.268 23.391 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.243 22.618 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.509 22.896 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.048 22.686 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.435 22.201 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.516 20.996 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.885 20.767 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.577 20.459 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.291 20.177 -2.255 1.00 0.00 H new ATOM 676 N PRO A 47 3.164 21.558 1.080 1.00 0.00 N ATOM 677 CA PRO A 47 2.571 21.021 2.293 1.00 0.00 C ATOM 678 C PRO A 47 1.297 20.233 1.979 1.00 0.00 C ATOM 679 O PRO A 47 0.647 19.710 2.883 1.00 0.00 O ATOM 680 CB PRO A 47 2.318 22.231 3.176 1.00 0.00 C ATOM 681 CG PRO A 47 2.346 23.436 2.251 1.00 0.00 C ATOM 682 CD PRO A 47 2.949 22.994 0.927 1.00 0.00 C ATOM 0 HA PRO A 47 3.220 20.305 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.356 22.150 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.080 22.315 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.339 23.825 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.936 24.240 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.278 23.208 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.884 23.515 0.724 1.00 0.00 H new ATOM 690 N LEU A 48 0.978 20.174 0.694 1.00 0.00 N ATOM 691 CA LEU A 48 -0.206 19.459 0.249 1.00 0.00 C ATOM 692 C LEU A 48 0.203 18.084 -0.282 1.00 0.00 C ATOM 693 O LEU A 48 -0.189 17.058 0.272 1.00 0.00 O ATOM 694 CB LEU A 48 -0.992 20.299 -0.760 1.00 0.00 C ATOM 695 CG LEU A 48 -2.162 21.106 -0.193 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.370 20.205 0.075 1.00 0.00 C ATOM 697 CD2 LEU A 48 -1.739 21.883 1.055 1.00 0.00 C ATOM 0 H LEU A 48 1.519 20.610 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.885 19.289 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.301 20.989 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.376 19.635 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.466 21.839 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.188 20.803 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.688 19.736 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.096 19.434 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.589 22.448 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.394 21.186 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.932 22.570 0.800 1.00 0.00 H new ATOM 709 N LEU A 49 0.987 18.106 -1.350 1.00 0.00 N ATOM 710 CA LEU A 49 1.453 16.874 -1.962 1.00 0.00 C ATOM 711 C LEU A 49 2.159 16.021 -0.907 1.00 0.00 C ATOM 712 O LEU A 49 2.199 14.796 -1.019 1.00 0.00 O ATOM 713 CB LEU A 49 2.319 17.178 -3.187 1.00 0.00 C ATOM 714 CG LEU A 49 3.832 17.170 -2.957 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.222 18.135 -1.835 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.339 15.750 -2.693 1.00 0.00 C ATOM 0 H LEU A 49 1.311 18.958 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 49 0.610 16.291 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.085 16.449 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.035 18.157 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 49 4.317 17.522 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.302 18.110 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.915 19.146 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.727 17.837 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.417 15.772 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.849 15.348 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.113 15.117 -3.551 1.00 0.00 H new ATOM 728 N ARG A 50 2.698 16.701 0.094 1.00 0.00 N ATOM 729 CA ARG A 50 3.400 16.020 1.169 1.00 0.00 C ATOM 730 C ARG A 50 2.407 15.273 2.062 1.00 0.00 C ATOM 731 O ARG A 50 2.553 14.073 2.290 1.00 0.00 O ATOM 732 CB ARG A 50 4.197 17.010 2.020 1.00 0.00 C ATOM 733 CG ARG A 50 5.668 17.036 1.600 1.00 0.00 C ATOM 734 CD ARG A 50 6.345 18.330 2.053 1.00 0.00 C ATOM 735 NE ARG A 50 6.737 18.226 3.476 1.00 0.00 N ATOM 736 CZ ARG A 50 7.746 18.925 4.037 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.475 19.788 3.298 1.00 0.00 N ATOM 738 NH2 ARG A 50 8.011 18.752 5.319 1.00 0.00 N ATOM 0 H ARG A 50 2.663 17.716 0.184 1.00 0.00 H new ATOM 0 HA ARG A 50 4.091 15.310 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.769 18.007 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.120 16.734 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.188 16.180 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.742 16.943 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.224 18.524 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.667 19.172 1.915 1.00 0.00 H new ATOM 0 HE ARG A 50 6.211 17.585 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.265 19.916 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.236 20.313 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.456 18.097 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.770 19.273 5.758 1.00 0.00 H new ATOM 752 N THR A 51 1.420 16.014 2.543 1.00 0.00 N ATOM 753 CA THR A 51 0.403 15.437 3.406 1.00 0.00 C ATOM 754 C THR A 51 -0.234 14.217 2.737 1.00 0.00 C ATOM 755 O THR A 51 -0.258 13.131 3.314 1.00 0.00 O ATOM 756 CB THR A 51 -0.604 16.536 3.751 1.00 0.00 C ATOM 757 OG1 THR A 51 0.125 17.420 4.598 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.745 16.028 4.634 1.00 0.00 C ATOM 0 H THR A 51 1.303 17.009 2.352 1.00 0.00 H new ATOM 0 HA THR A 51 0.836 15.070 4.336 1.00 0.00 H new ATOM 0 HB THR A 51 -1.016 16.954 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.353 18.234 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.431 16.847 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.281 15.233 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.338 15.641 5.568 1.00 0.00 H new ATOM 766 N GLN A 52 -0.735 14.438 1.531 1.00 0.00 N ATOM 767 CA GLN A 52 -1.370 13.370 0.777 1.00 0.00 C ATOM 768 C GLN A 52 -0.398 12.204 0.586 1.00 0.00 C ATOM 769 O GLN A 52 -0.773 11.044 0.749 1.00 0.00 O ATOM 770 CB GLN A 52 -1.886 13.881 -0.569 1.00 0.00 C ATOM 771 CG GLN A 52 -0.727 14.228 -1.504 1.00 0.00 C ATOM 772 CD GLN A 52 -1.242 14.790 -2.831 1.00 0.00 C ATOM 773 OE1 GLN A 52 -1.082 13.970 -3.865 1.00 0.00 O flip ATOM 774 NE2 GLN A 52 -1.752 15.897 -2.910 1.00 0.00 N flip ATOM 0 H GLN A 52 -0.714 15.341 1.057 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.229 13.012 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.517 13.123 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.509 14.762 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.074 14.958 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.127 13.338 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.845 16.477 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.085 16.242 -3.810 1.00 0.00 H new ATOM 783 N PHE A 53 0.834 12.553 0.241 1.00 0.00 N ATOM 784 CA PHE A 53 1.862 11.550 0.026 1.00 0.00 C ATOM 785 C PHE A 53 2.020 10.653 1.255 1.00 0.00 C ATOM 786 O PHE A 53 1.973 9.428 1.143 1.00 0.00 O ATOM 787 CB PHE A 53 3.174 12.299 -0.216 1.00 0.00 C ATOM 788 CG PHE A 53 4.425 11.498 0.149 1.00 0.00 C ATOM 789 CD1 PHE A 53 4.734 10.368 -0.542 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.228 11.915 1.164 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.895 9.623 -0.203 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.390 11.172 1.502 1.00 0.00 C ATOM 793 CZ PHE A 53 6.698 10.042 0.811 1.00 0.00 C ATOM 0 H PHE A 53 1.142 13.516 0.105 1.00 0.00 H new ATOM 0 HA PHE A 53 1.592 10.917 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.230 12.582 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.165 13.223 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.097 10.037 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.982 12.812 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.140 8.725 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.029 11.504 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.582 9.477 1.068 1.00 0.00 H new ATOM 803 N PHE A 54 2.204 11.296 2.398 1.00 0.00 N ATOM 804 CA PHE A 54 2.369 10.571 3.646 1.00 0.00 C ATOM 805 C PHE A 54 1.320 9.466 3.782 1.00 0.00 C ATOM 806 O PHE A 54 1.660 8.306 4.002 1.00 0.00 O ATOM 807 CB PHE A 54 2.178 11.582 4.779 1.00 0.00 C ATOM 808 CG PHE A 54 3.063 11.323 6.000 1.00 0.00 C ATOM 809 CD1 PHE A 54 4.368 11.704 5.986 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.543 10.713 7.099 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.190 11.464 7.119 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.365 10.473 8.232 1.00 0.00 C ATOM 813 CZ PHE A 54 4.671 10.854 8.218 1.00 0.00 C ATOM 0 H PHE A 54 2.243 12.311 2.486 1.00 0.00 H new ATOM 0 HA PHE A 54 3.354 10.105 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.385 12.582 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.134 11.570 5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.780 12.189 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.506 10.411 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.227 11.766 7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.953 9.988 9.105 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.296 10.672 9.080 1.00 0.00 H new ATOM 823 N ILE A 55 0.063 9.867 3.646 1.00 0.00 N ATOM 824 CA ILE A 55 -1.038 8.926 3.750 1.00 0.00 C ATOM 825 C ILE A 55 -0.873 7.835 2.690 1.00 0.00 C ATOM 826 O ILE A 55 -0.977 6.648 2.996 1.00 0.00 O ATOM 827 CB ILE A 55 -2.378 9.659 3.673 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.542 10.627 4.848 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.541 8.669 3.581 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.698 12.066 4.355 1.00 0.00 C ATOM 0 H ILE A 55 -0.216 10.831 3.465 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.026 8.432 4.722 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.389 10.254 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.414 10.344 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.676 10.556 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.482 9.217 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.427 8.056 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.544 8.028 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.813 12.733 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.814 12.354 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.579 12.139 3.717 1.00 0.00 H new ATOM 842 N VAL A 56 -0.617 8.276 1.467 1.00 0.00 N ATOM 843 CA VAL A 56 -0.437 7.351 0.361 1.00 0.00 C ATOM 844 C VAL A 56 0.539 6.249 0.777 1.00 0.00 C ATOM 845 O VAL A 56 0.267 5.066 0.578 1.00 0.00 O ATOM 846 CB VAL A 56 0.017 8.111 -0.887 1.00 0.00 C ATOM 847 CG1 VAL A 56 0.378 7.144 -2.017 1.00 0.00 C ATOM 848 CG2 VAL A 56 -1.052 9.108 -1.339 1.00 0.00 C ATOM 0 H VAL A 56 -0.530 9.261 1.218 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.382 6.870 0.108 1.00 0.00 H new ATOM 0 HB VAL A 56 0.914 8.674 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.697 7.710 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.188 6.491 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.494 6.542 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.705 9.635 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.973 8.574 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.240 9.826 -0.541 1.00 0.00 H new ATOM 858 N MET A 57 1.657 6.677 1.347 1.00 0.00 N ATOM 859 CA MET A 57 2.676 5.741 1.793 1.00 0.00 C ATOM 860 C MET A 57 2.073 4.665 2.699 1.00 0.00 C ATOM 861 O MET A 57 2.349 3.479 2.529 1.00 0.00 O ATOM 862 CB MET A 57 3.766 6.497 2.553 1.00 0.00 C ATOM 863 CG MET A 57 5.073 5.702 2.572 1.00 0.00 C ATOM 864 SD MET A 57 5.151 4.693 4.044 1.00 0.00 S ATOM 865 CE MET A 57 5.274 5.968 5.287 1.00 0.00 C ATOM 0 H MET A 57 1.879 7.659 1.510 1.00 0.00 H new ATOM 0 HA MET A 57 3.104 5.254 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.933 7.468 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.437 6.687 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.138 5.072 1.685 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.923 6.383 2.542 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.870 5.604 6.124 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.751 6.849 4.858 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.276 6.230 5.639 1.00 0.00 H new ATOM 875 N GLY A 58 1.260 5.119 3.642 1.00 0.00 N ATOM 876 CA GLY A 58 0.616 4.211 4.576 1.00 0.00 C ATOM 877 C GLY A 58 -0.352 3.273 3.849 1.00 0.00 C ATOM 878 O GLY A 58 -0.364 2.070 4.105 1.00 0.00 O ATOM 0 H GLY A 58 1.033 6.104 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.372 3.625 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.076 4.783 5.331 1.00 0.00 H new ATOM 882 N LEU A 59 -1.138 3.860 2.959 1.00 0.00 N ATOM 883 CA LEU A 59 -2.106 3.093 2.195 1.00 0.00 C ATOM 884 C LEU A 59 -1.368 2.070 1.327 1.00 0.00 C ATOM 885 O LEU A 59 -1.881 0.981 1.075 1.00 0.00 O ATOM 886 CB LEU A 59 -3.023 4.024 1.401 1.00 0.00 C ATOM 887 CG LEU A 59 -4.430 3.497 1.112 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.420 4.648 0.924 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.422 2.545 -0.086 1.00 0.00 C ATOM 0 H LEU A 59 -1.124 4.858 2.750 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.761 2.534 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.114 4.963 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.540 4.253 0.451 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.765 2.924 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.412 4.245 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.453 5.251 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.101 5.269 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.434 2.184 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.058 3.073 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.768 1.699 0.126 1.00 0.00 H new ATOM 901 N VAL A 60 -0.178 2.458 0.894 1.00 0.00 N ATOM 902 CA VAL A 60 0.634 1.589 0.060 1.00 0.00 C ATOM 903 C VAL A 60 1.020 0.341 0.856 1.00 0.00 C ATOM 904 O VAL A 60 1.057 -0.762 0.310 1.00 0.00 O ATOM 905 CB VAL A 60 1.847 2.357 -0.471 1.00 0.00 C ATOM 906 CG1 VAL A 60 2.970 1.399 -0.872 1.00 0.00 C ATOM 907 CG2 VAL A 60 1.453 3.261 -1.641 1.00 0.00 C ATOM 0 H VAL A 60 0.243 3.363 1.105 1.00 0.00 H new ATOM 0 HA VAL A 60 0.068 1.258 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 60 2.220 2.992 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.820 1.970 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.278 0.816 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.613 0.727 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.332 3.796 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.043 2.654 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.702 3.979 -1.310 1.00 0.00 H new ATOM 917 N ASN A 61 1.297 0.554 2.134 1.00 0.00 N ATOM 918 CA ASN A 61 1.678 -0.541 3.010 1.00 0.00 C ATOM 919 C ASN A 61 0.427 -1.112 3.678 1.00 0.00 C ATOM 920 O ASN A 61 0.511 -2.072 4.442 1.00 0.00 O ATOM 921 CB ASN A 61 2.625 -0.060 4.111 1.00 0.00 C ATOM 922 CG ASN A 61 4.078 -0.077 3.633 1.00 0.00 C ATOM 923 OD1 ASN A 61 4.231 0.271 2.358 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 4.998 -0.385 4.370 1.00 0.00 N flip ATOM 0 H ASN A 61 1.265 1.469 2.584 1.00 0.00 H new ATOM 0 HA ASN A 61 2.181 -1.297 2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.351 0.950 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.520 -0.697 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.811 -0.642 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.955 -0.386 4.018 1.00 0.00 H new ATOM 931 N ALA A 62 -0.705 -0.498 3.367 1.00 0.00 N ATOM 932 CA ALA A 62 -1.972 -0.934 3.927 1.00 0.00 C ATOM 933 C ALA A 62 -2.630 -1.934 2.974 1.00 0.00 C ATOM 934 O ALA A 62 -3.197 -2.935 3.412 1.00 0.00 O ATOM 935 CB ALA A 62 -2.858 0.284 4.197 1.00 0.00 C ATOM 0 H ALA A 62 -0.771 0.299 2.734 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.816 -1.441 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.809 -0.044 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.359 0.948 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.038 0.817 3.263 1.00 0.00 H new ATOM 941 N ILE A 63 -2.533 -1.629 1.688 1.00 0.00 N ATOM 942 CA ILE A 63 -3.112 -2.488 0.670 1.00 0.00 C ATOM 943 C ILE A 63 -2.621 -3.922 0.880 1.00 0.00 C ATOM 944 O ILE A 63 -3.421 -4.856 0.920 1.00 0.00 O ATOM 945 CB ILE A 63 -2.819 -1.935 -0.727 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.971 -1.060 -1.223 1.00 0.00 C ATOM 947 CG2 ILE A 63 -2.495 -3.065 -1.706 1.00 0.00 C ATOM 948 CD1 ILE A 63 -3.621 -0.395 -2.555 1.00 0.00 C ATOM 0 H ILE A 63 -2.062 -0.799 1.328 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.198 -2.507 0.759 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.936 -1.299 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.869 -1.667 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.198 -0.296 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.291 -2.646 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.619 -3.610 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.344 -3.745 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.457 0.221 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.737 0.230 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.419 -1.162 -3.303 1.00 0.00 H new ATOM 960 N PRO A 64 -1.274 -4.055 1.010 1.00 0.00 N ATOM 961 CA PRO A 64 -0.667 -5.359 1.213 1.00 0.00 C ATOM 962 C PRO A 64 -0.888 -5.849 2.646 1.00 0.00 C ATOM 963 O PRO A 64 -1.373 -6.959 2.858 1.00 0.00 O ATOM 964 CB PRO A 64 0.802 -5.167 0.872 1.00 0.00 C ATOM 965 CG PRO A 64 1.054 -3.669 0.939 1.00 0.00 C ATOM 966 CD PRO A 64 -0.296 -2.971 0.966 1.00 0.00 C ATOM 0 HA PRO A 64 -1.110 -6.132 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.439 -5.702 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.027 -5.557 -0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.631 -3.418 1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.636 -3.341 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.388 -2.320 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.437 -2.347 0.084 1.00 0.00 H new ATOM 974 N MET A 65 -0.522 -4.997 3.592 1.00 0.00 N ATOM 975 CA MET A 65 -0.676 -5.329 4.998 1.00 0.00 C ATOM 976 C MET A 65 -2.058 -5.923 5.274 1.00 0.00 C ATOM 977 O MET A 65 -2.189 -6.858 6.062 1.00 0.00 O ATOM 978 CB MET A 65 -0.483 -4.068 5.844 1.00 0.00 C ATOM 979 CG MET A 65 -0.918 -4.308 7.291 1.00 0.00 C ATOM 980 SD MET A 65 -0.610 -2.847 8.271 1.00 0.00 S ATOM 981 CE MET A 65 -0.005 -3.602 9.771 1.00 0.00 C ATOM 0 H MET A 65 -0.119 -4.077 3.412 1.00 0.00 H new ATOM 0 HA MET A 65 0.076 -6.073 5.261 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.564 -3.766 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.061 -3.248 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.978 -4.561 7.324 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.375 -5.156 7.707 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.237 -2.826 10.497 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.772 -4.258 10.183 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.890 -4.184 9.550 1.00 0.00 H new ATOM 991 N ILE A 66 -3.054 -5.355 4.610 1.00 0.00 N ATOM 992 CA ILE A 66 -4.422 -5.817 4.774 1.00 0.00 C ATOM 993 C ILE A 66 -4.659 -7.027 3.870 1.00 0.00 C ATOM 994 O ILE A 66 -5.486 -7.884 4.178 1.00 0.00 O ATOM 995 CB ILE A 66 -5.406 -4.670 4.538 1.00 0.00 C ATOM 996 CG1 ILE A 66 -5.339 -3.645 5.671 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.827 -5.200 4.328 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.494 -2.221 5.135 1.00 0.00 C ATOM 0 H ILE A 66 -2.941 -4.579 3.957 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.593 -6.147 5.799 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.115 -4.156 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.124 -3.851 6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.387 -3.738 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.506 -4.364 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.845 -5.859 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.143 -5.755 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.442 -1.513 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.693 -2.010 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.457 -2.124 4.634 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.918 -7.059 2.772 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.037 -8.150 1.820 1.00 0.00 C ATOM 1012 C ALA A 67 -3.571 -9.451 2.481 1.00 0.00 C ATOM 1013 O ALA A 67 -4.377 -10.344 2.737 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.238 -7.819 0.559 1.00 0.00 C ATOM 0 H ALA A 67 -3.233 -6.347 2.521 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.076 -8.285 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.328 -8.638 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.627 -6.904 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.189 -7.678 0.819 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.272 -9.514 2.736 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.690 -10.689 3.361 1.00 0.00 C ATOM 1022 C VAL A 68 -2.205 -10.805 4.798 1.00 0.00 C ATOM 1023 O VAL A 68 -2.239 -11.898 5.362 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.164 -10.624 3.278 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.471 -11.901 3.831 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.295 -10.361 1.843 1.00 0.00 C ATOM 0 H VAL A 68 -1.607 -8.771 2.521 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.993 -11.592 2.832 1.00 0.00 H new ATOM 0 HB VAL A 68 0.170 -9.790 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.556 -11.828 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.183 -12.028 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.126 -12.758 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.384 -10.319 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.057 -11.164 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.115 -9.412 1.498 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.593 -9.665 5.348 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.105 -9.625 6.707 1.00 0.00 C ATOM 1038 C GLY A 69 -4.322 -10.539 6.862 1.00 0.00 C ATOM 1039 O GLY A 69 -4.343 -11.410 7.731 1.00 0.00 O ATOM 0 H GLY A 69 -2.563 -8.761 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.324 -9.932 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.379 -8.602 6.966 1.00 0.00 H new ATOM 1043 N LEU A 70 -5.307 -10.310 6.005 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.525 -11.103 6.035 1.00 0.00 C ATOM 1045 C LEU A 70 -6.188 -12.560 5.713 1.00 0.00 C ATOM 1046 O LEU A 70 -6.471 -13.456 6.507 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.581 -10.496 5.110 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.938 -10.195 5.748 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.729 -9.189 4.908 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.727 -11.482 5.993 1.00 0.00 C ATOM 0 H LEU A 70 -5.286 -9.587 5.286 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.964 -11.091 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.183 -9.570 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.738 -11.178 4.274 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.763 -9.735 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.690 -8.993 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.166 -8.259 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.895 -9.598 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.688 -11.239 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.893 -11.993 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.164 -12.132 6.662 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.589 -12.751 4.547 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.211 -14.084 4.110 1.00 0.00 C ATOM 1064 C GLY A 71 -4.633 -14.898 5.270 1.00 0.00 C ATOM 1065 O GLY A 71 -4.993 -16.059 5.459 1.00 0.00 O ATOM 0 H GLY A 71 -5.356 -12.005 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.081 -14.596 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.475 -14.013 3.309 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.746 -14.257 6.016 1.00 0.00 N ATOM 1070 CA LEU A 72 -3.115 -14.906 7.152 1.00 0.00 C ATOM 1071 C LEU A 72 -4.178 -15.236 8.202 1.00 0.00 C ATOM 1072 O LEU A 72 -4.395 -16.402 8.526 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.965 -14.050 7.688 1.00 0.00 C ATOM 1074 CG LEU A 72 -0.558 -14.615 7.488 1.00 0.00 C ATOM 1075 CD1 LEU A 72 0.475 -13.808 8.277 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.509 -16.104 7.837 1.00 0.00 C ATOM 0 H LEU A 72 -3.449 -13.294 5.856 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.664 -15.850 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.013 -13.072 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.123 -13.892 8.755 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.301 -14.523 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.467 -14.231 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.463 -12.772 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.232 -13.845 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.503 -16.480 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.796 -16.243 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.199 -16.651 7.195 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.811 -14.186 8.705 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.847 -14.350 9.711 1.00 0.00 C ATOM 1090 C TYR A 73 -6.728 -15.561 9.401 1.00 0.00 C ATOM 1091 O TYR A 73 -7.029 -16.358 10.288 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.702 -13.082 9.646 1.00 0.00 C ATOM 1093 CG TYR A 73 -8.128 -13.267 10.167 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.398 -13.110 11.512 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -9.146 -13.590 9.292 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.741 -13.283 12.002 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -10.489 -13.764 9.783 1.00 0.00 C ATOM 1098 CZ TYR A 73 -10.719 -13.601 11.114 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.988 -13.765 11.577 1.00 0.00 O ATOM 0 H TYR A 73 -4.627 -13.220 8.435 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.404 -14.507 10.695 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.214 -12.297 10.223 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.745 -12.738 8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.602 -12.857 12.197 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.935 -13.712 8.240 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.966 -13.163 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.295 -14.018 9.110 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.582 -13.989 10.831 1.00 0.00 H new ATOM 1109 N VAL A 74 -7.116 -15.662 8.137 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.956 -16.763 7.698 1.00 0.00 C ATOM 1111 C VAL A 74 -7.226 -18.085 7.941 1.00 0.00 C ATOM 1112 O VAL A 74 -7.684 -18.918 8.722 1.00 0.00 O ATOM 1113 CB VAL A 74 -8.360 -16.563 6.237 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -8.941 -17.850 5.647 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -9.345 -15.400 6.094 1.00 0.00 C ATOM 0 H VAL A 74 -6.864 -14.999 7.404 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.880 -16.791 8.275 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.462 -16.312 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.220 -17.680 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.195 -18.643 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.823 -18.145 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.616 -15.280 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.241 -15.608 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.880 -14.483 6.456 1.00 0.00 H new ATOM 1125 N MET A 75 -6.100 -18.237 7.258 1.00 0.00 N ATOM 1126 CA MET A 75 -5.301 -19.443 7.390 1.00 0.00 C ATOM 1127 C MET A 75 -5.249 -19.910 8.846 1.00 0.00 C ATOM 1128 O MET A 75 -5.569 -21.059 9.145 1.00 0.00 O ATOM 1129 CB MET A 75 -3.882 -19.172 6.889 1.00 0.00 C ATOM 1130 CG MET A 75 -3.168 -20.478 6.530 1.00 0.00 C ATOM 1131 SD MET A 75 -2.488 -21.225 8.001 1.00 0.00 S ATOM 1132 CE MET A 75 -3.083 -22.896 7.804 1.00 0.00 C ATOM 0 H MET A 75 -5.723 -17.544 6.611 1.00 0.00 H new ATOM 0 HA MET A 75 -5.762 -20.229 6.793 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.919 -18.522 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.316 -18.643 7.656 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.867 -21.165 6.053 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.373 -20.282 5.811 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.746 -23.504 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.173 -22.893 7.772 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.694 -23.314 6.875 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.843 -18.994 9.714 1.00 0.00 N ATOM 1143 CA PHE A 76 -4.745 -19.298 11.130 1.00 0.00 C ATOM 1144 C PHE A 76 -6.115 -19.651 11.713 1.00 0.00 C ATOM 1145 O PHE A 76 -6.259 -20.656 12.405 1.00 0.00 O ATOM 1146 CB PHE A 76 -4.219 -18.038 11.822 1.00 0.00 C ATOM 1147 CG PHE A 76 -3.362 -18.319 13.059 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.062 -18.690 12.913 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.900 -18.197 14.301 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -1.265 -18.951 14.060 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.104 -18.456 15.448 1.00 0.00 C ATOM 1152 CZ PHE A 76 -1.803 -18.828 15.303 1.00 0.00 C ATOM 0 H PHE A 76 -4.578 -18.041 9.463 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.085 -20.152 11.282 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.630 -17.463 11.108 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.065 -17.415 12.113 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.635 -18.786 11.926 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.933 -17.903 14.416 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.233 -19.247 13.945 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.531 -18.358 16.435 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.198 -19.026 16.175 1.00 0.00 H new ATOM 1162 N ALA A 77 -7.087 -18.804 11.407 1.00 0.00 N ATOM 1163 CA ALA A 77 -8.442 -19.014 11.891 1.00 0.00 C ATOM 1164 C ALA A 77 -8.831 -20.478 11.682 1.00 0.00 C ATOM 1165 O ALA A 77 -9.200 -21.168 12.633 1.00 0.00 O ATOM 1166 CB ALA A 77 -9.393 -18.050 11.181 1.00 0.00 C ATOM 0 H ALA A 77 -6.964 -17.972 10.831 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.505 -18.805 12.959 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.409 -18.208 11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.090 -17.023 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.359 -18.231 10.107 1.00 0.00 H new ATOM 1172 N VAL A 78 -8.739 -20.910 10.434 1.00 0.00 N ATOM 1173 CA VAL A 78 -9.078 -22.280 10.087 1.00 0.00 C ATOM 1174 C VAL A 78 -7.988 -23.218 10.612 1.00 0.00 C ATOM 1175 O VAL A 78 -8.277 -24.341 11.022 1.00 0.00 O ATOM 1176 CB VAL A 78 -9.294 -22.401 8.577 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -7.977 -22.227 7.820 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -9.959 -23.732 8.223 1.00 0.00 C ATOM 0 H VAL A 78 -8.434 -20.335 9.649 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.016 -22.573 10.559 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.966 -21.600 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.158 -22.317 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.561 -21.243 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.272 -22.996 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.101 -23.792 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.324 -24.555 8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.927 -23.799 8.721 1.00 0.00 H new ATOM 1188 N ALA A 79 -6.761 -22.722 10.582 1.00 0.00 N ATOM 1189 CA ALA A 79 -5.627 -23.503 11.050 1.00 0.00 C ATOM 1190 C ALA A 79 -4.370 -22.631 11.026 1.00 0.00 C ATOM 1191 O ALA A 79 -3.840 -22.272 12.077 1.00 0.00 O ATOM 1192 CB ALA A 79 -5.482 -24.758 10.189 1.00 0.00 C ATOM 0 H ALA A 79 -6.526 -21.790 10.241 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.783 -23.830 12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.632 -25.344 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.390 -25.357 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.320 -24.470 9.150 1.00 0.00 H new TER 1198 ALA A 79