USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 461 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 : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.37) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 97:sc= 1.21 USER MOD Single : P 11 SER OG : rot -22:sc= 0.0134 USER MOD Single : P 17 SER OG : rot 72:sc= -0.159 USER MOD Single : P 18 THR OG1 : rot -74:sc= 1.03 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 24 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : P 27 GLN : amide:sc=-0.00927 K(o=-0.0093,f=-1.7!) USER MOD Single : P 28 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.47) USER MOD Single : P 30 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.42) USER MOD Single : P 31 ASN : amide:sc= -2.38! C(o=-2.4!,f=-4.5!) USER MOD Single : P 35 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : P 51 MET CE :methyl -169:sc= 0 (180deg=-0.0219) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -10.235 32.132 14.961 1.00 1.00 N ATOM 31 CA GLU P 3 -9.490 31.695 16.135 1.00 1.00 C ATOM 32 C GLU P 3 -9.478 30.170 16.230 1.00 1.00 C ATOM 33 O GLU P 3 -8.479 29.573 16.631 1.00 1.00 O ATOM 34 CB GLU P 3 -10.111 32.300 17.399 1.00 1.00 C ATOM 35 CG GLU P 3 -11.553 31.806 17.564 1.00 1.00 C ATOM 36 CD GLU P 3 -12.201 32.464 18.777 1.00 1.00 C ATOM 37 OE1 GLU P 3 -11.496 33.133 19.514 1.00 1.00 O ATOM 38 OE2 GLU P 3 -13.397 32.287 18.950 1.00 1.00 O ATOM 0 HA GLU P 3 -8.460 32.039 16.043 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -9.521 32.023 18.272 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -10.096 33.388 17.336 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -12.128 32.035 16.667 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -11.562 30.722 17.681 1.00 1.00 H new ATOM 45 N LYS P 4 -10.588 29.545 15.864 1.00 1.00 N ATOM 46 CA LYS P 4 -10.683 28.090 15.917 1.00 1.00 C ATOM 47 C LYS P 4 -9.689 27.447 14.959 1.00 1.00 C ATOM 48 O LYS P 4 -9.051 26.445 15.286 1.00 1.00 O ATOM 49 CB LYS P 4 -12.095 27.636 15.566 1.00 1.00 C ATOM 50 CG LYS P 4 -13.060 28.055 16.672 1.00 1.00 C ATOM 51 CD LYS P 4 -14.472 27.601 16.314 1.00 1.00 C ATOM 52 CE LYS P 4 -15.445 28.008 17.425 1.00 1.00 C ATOM 53 NZ LYS P 4 -16.822 27.568 17.059 1.00 1.00 N ATOM 0 H LYS P 4 -11.429 30.016 15.530 1.00 1.00 H new ATOM 0 HA LYS P 4 -10.446 27.776 16.933 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -12.403 28.074 14.616 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -12.119 26.554 15.440 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -12.755 27.615 17.621 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -13.036 29.137 16.800 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -14.779 28.047 15.368 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -14.493 26.520 16.178 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -15.145 27.556 18.370 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -15.422 29.088 17.567 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -17.486 27.843 17.811 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -17.105 28.020 16.166 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -16.837 26.534 16.944 1.00 1.00 H new ATOM 67 N VAL P 5 -9.568 28.033 13.779 1.00 1.00 N ATOM 68 CA VAL P 5 -8.651 27.517 12.769 1.00 1.00 C ATOM 69 C VAL P 5 -7.214 27.590 13.270 1.00 1.00 C ATOM 70 O VAL P 5 -6.446 26.635 13.132 1.00 1.00 O ATOM 71 CB VAL P 5 -8.800 28.310 11.467 1.00 1.00 C ATOM 72 CG1 VAL P 5 -7.727 27.874 10.465 1.00 1.00 C ATOM 73 CG2 VAL P 5 -10.186 28.045 10.874 1.00 1.00 C ATOM 0 H VAL P 5 -10.089 28.863 13.495 1.00 1.00 H new ATOM 0 HA VAL P 5 -8.898 26.473 12.575 1.00 1.00 H new ATOM 0 HB VAL P 5 -8.683 29.373 11.676 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -7.839 28.442 9.542 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -6.739 28.058 10.887 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -7.838 26.811 10.253 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -10.298 28.607 9.947 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -10.296 26.980 10.669 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -10.951 28.359 11.584 1.00 1.00 H new ATOM 83 N GLN P 6 -6.857 28.727 13.848 1.00 1.00 N ATOM 84 CA GLN P 6 -5.507 28.909 14.362 1.00 1.00 C ATOM 85 C GLN P 6 -5.233 27.927 15.494 1.00 1.00 C ATOM 86 O GLN P 6 -4.204 27.252 15.511 1.00 1.00 O ATOM 87 CB GLN P 6 -5.325 30.344 14.865 1.00 1.00 C ATOM 88 CG GLN P 6 -5.460 31.327 13.700 1.00 1.00 C ATOM 89 CD GLN P 6 -4.307 31.140 12.723 1.00 1.00 C ATOM 90 OE1 GLN P 6 -3.146 31.131 13.132 1.00 1.00 O ATOM 91 NE2 GLN P 6 -4.556 30.990 11.453 1.00 1.00 N ATOM 0 H GLN P 6 -7.475 29.529 13.972 1.00 1.00 H new ATOM 0 HA GLN P 6 -4.800 28.721 13.554 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -6.070 30.568 15.629 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -4.346 30.453 15.332 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -6.410 31.169 13.189 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -5.466 32.350 14.076 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -5.519 30.998 11.118 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -3.788 30.865 10.794 1.00 1.00 H new ATOM 100 N TYR P 7 -6.159 27.853 16.432 1.00 1.00 N ATOM 101 CA TYR P 7 -6.014 26.950 17.567 1.00 1.00 C ATOM 102 C TYR P 7 -5.990 25.502 17.087 1.00 1.00 C ATOM 103 O TYR P 7 -5.112 24.718 17.453 1.00 1.00 O ATOM 104 CB TYR P 7 -7.174 27.153 18.540 1.00 1.00 C ATOM 105 CG TYR P 7 -7.072 26.155 19.670 1.00 1.00 C ATOM 106 CD1 TYR P 7 -6.250 26.426 20.768 1.00 1.00 C ATOM 107 CD2 TYR P 7 -7.799 24.961 19.614 1.00 1.00 C ATOM 108 CE1 TYR P 7 -6.154 25.501 21.815 1.00 1.00 C ATOM 109 CE2 TYR P 7 -7.703 24.034 20.663 1.00 1.00 C ATOM 110 CZ TYR P 7 -6.881 24.306 21.762 1.00 1.00 C ATOM 111 OH TYR P 7 -6.782 23.397 22.799 1.00 1.00 O ATOM 0 H TYR P 7 -7.018 28.404 16.434 1.00 1.00 H new ATOM 0 HA TYR P 7 -5.075 27.169 18.075 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -7.156 28.168 18.936 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -8.124 27.031 18.019 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -5.689 27.348 20.809 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -8.433 24.753 18.765 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -5.519 25.710 22.663 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -8.263 23.111 20.622 1.00 1.00 H new ATOM 0 HH TYR P 7 -7.350 22.621 22.609 1.00 1.00 H new ATOM 121 N LEU P 8 -6.974 25.155 16.269 1.00 1.00 N ATOM 122 CA LEU P 8 -7.067 23.801 15.745 1.00 1.00 C ATOM 123 C LEU P 8 -5.738 23.396 15.100 1.00 1.00 C ATOM 124 O LEU P 8 -5.302 22.252 15.243 1.00 1.00 O ATOM 125 CB LEU P 8 -8.206 23.709 14.713 1.00 1.00 C ATOM 126 CG LEU P 8 -9.580 23.630 15.418 1.00 1.00 C ATOM 127 CD1 LEU P 8 -10.689 23.972 14.417 1.00 1.00 C ATOM 128 CD2 LEU P 8 -9.831 22.212 15.977 1.00 1.00 C ATOM 0 H LEU P 8 -7.712 25.786 15.957 1.00 1.00 H new ATOM 0 HA LEU P 8 -7.283 23.119 16.567 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -8.179 24.578 14.056 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -8.063 22.830 14.085 1.00 1.00 H new ATOM 0 HG LEU P 8 -9.583 24.341 16.244 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -11.658 23.916 14.914 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -10.535 24.981 14.034 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -10.664 23.262 13.590 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -10.804 22.181 16.468 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -9.814 21.491 15.160 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -9.052 21.962 16.698 1.00 1.00 H new ATOM 140 N THR P 9 -5.101 24.330 14.395 1.00 1.00 N ATOM 141 CA THR P 9 -3.826 24.040 13.743 1.00 1.00 C ATOM 142 C THR P 9 -2.768 23.655 14.781 1.00 1.00 C ATOM 143 O THR P 9 -2.054 22.657 14.627 1.00 1.00 O ATOM 144 CB THR P 9 -3.350 25.259 12.955 1.00 1.00 C ATOM 145 OG1 THR P 9 -4.315 25.573 11.958 1.00 1.00 O ATOM 146 CG2 THR P 9 -2.007 24.947 12.292 1.00 1.00 C ATOM 0 H THR P 9 -5.442 25.282 14.262 1.00 1.00 H new ATOM 0 HA THR P 9 -3.972 23.203 13.060 1.00 1.00 H new ATOM 0 HB THR P 9 -3.228 26.108 13.627 1.00 1.00 H new ATOM 0 HG1 THR P 9 -4.908 26.280 12.288 1.00 1.00 H new ATOM 0 HG21 THR P 9 -1.668 25.817 11.730 1.00 1.00 H new ATOM 0 HG22 THR P 9 -1.272 24.701 13.058 1.00 1.00 H new ATOM 0 HG23 THR P 9 -2.123 24.101 11.615 1.00 1.00 H new ATOM 154 N ARG P 10 -2.669 24.449 15.843 1.00 1.00 N ATOM 155 CA ARG P 10 -1.695 24.169 16.888 1.00 1.00 C ATOM 156 C ARG P 10 -1.993 22.811 17.498 1.00 1.00 C ATOM 157 O ARG P 10 -1.097 22.008 17.736 1.00 1.00 O ATOM 158 CB ARG P 10 -1.740 25.263 17.961 1.00 1.00 C ATOM 159 CG ARG P 10 -0.655 25.008 19.006 1.00 1.00 C ATOM 160 CD ARG P 10 -0.632 26.167 20.003 1.00 1.00 C ATOM 161 NE ARG P 10 -1.888 26.221 20.740 1.00 1.00 N ATOM 162 CZ ARG P 10 -2.169 27.247 21.534 1.00 1.00 C ATOM 163 NH1 ARG P 10 -1.323 28.234 21.651 1.00 1.00 N ATOM 164 NH2 ARG P 10 -3.296 27.273 22.195 1.00 1.00 N ATOM 0 H ARG P 10 -3.242 25.278 16.000 1.00 1.00 H new ATOM 0 HA ARG P 10 -0.693 24.156 16.458 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -1.594 26.241 17.503 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -2.720 25.278 18.437 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -0.848 24.070 19.526 1.00 1.00 H new ATOM 0 HG3 ARG P 10 0.317 24.910 18.522 1.00 1.00 H new ATOM 0 HD2 ARG P 10 0.200 26.044 20.696 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -0.471 27.107 19.475 1.00 1.00 H new ATOM 0 HE ARG P 10 -2.560 25.460 20.644 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -0.445 28.217 21.132 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -1.540 29.022 22.261 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -3.960 26.505 22.101 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -3.511 28.062 22.805 1.00 1.00 H new ATOM 178 N SER P 11 -3.260 22.559 17.745 1.00 1.00 N ATOM 179 CA SER P 11 -3.655 21.286 18.321 1.00 1.00 C ATOM 180 C SER P 11 -3.449 20.185 17.289 1.00 1.00 C ATOM 181 O SER P 11 -3.186 19.048 17.621 1.00 1.00 O ATOM 182 CB SER P 11 -5.122 21.316 18.731 1.00 1.00 C ATOM 183 OG SER P 11 -5.921 21.504 17.572 1.00 1.00 O ATOM 0 H SER P 11 -4.027 23.206 17.560 1.00 1.00 H new ATOM 0 HA SER P 11 -3.045 21.096 19.204 1.00 1.00 H new ATOM 0 HB2 SER P 11 -5.393 20.385 19.229 1.00 1.00 H new ATOM 0 HB3 SER P 11 -5.297 22.121 19.444 1.00 1.00 H new ATOM 0 HG SER P 11 -5.379 21.910 16.863 1.00 1.00 H new ATOM 189 N ALA P 12 -3.570 20.547 16.026 1.00 1.00 N ATOM 190 CA ALA P 12 -3.397 19.576 14.959 1.00 1.00 C ATOM 191 C ALA P 12 -2.073 18.868 15.147 1.00 1.00 C ATOM 192 O ALA P 12 -1.952 17.665 14.912 1.00 1.00 O ATOM 193 CB ALA P 12 -3.447 20.248 13.583 1.00 1.00 C ATOM 0 H ALA P 12 -3.785 21.494 15.714 1.00 1.00 H new ATOM 0 HA ALA P 12 -4.213 18.855 15.004 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -3.315 19.496 12.806 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -4.412 20.739 13.453 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -2.650 20.989 13.511 1.00 1.00 H new ATOM 199 N ILE P 13 -1.069 19.631 15.582 1.00 1.00 N ATOM 200 CA ILE P 13 0.258 19.054 15.805 1.00 1.00 C ATOM 201 C ILE P 13 0.270 18.237 17.107 1.00 1.00 C ATOM 202 O ILE P 13 0.889 17.175 17.182 1.00 1.00 O ATOM 203 CB ILE P 13 1.371 20.164 15.795 1.00 1.00 C ATOM 204 CG1 ILE P 13 2.661 19.618 15.150 1.00 1.00 C ATOM 205 CG2 ILE P 13 1.727 20.650 17.220 1.00 1.00 C ATOM 206 CD1 ILE P 13 3.707 20.736 15.065 1.00 1.00 C ATOM 0 H ILE P 13 -1.145 20.628 15.783 1.00 1.00 H new ATOM 0 HA ILE P 13 0.485 18.375 14.983 1.00 1.00 H new ATOM 0 HB ILE P 13 0.969 21.001 15.224 1.00 1.00 H new ATOM 0 HG12 ILE P 13 3.050 18.787 15.738 1.00 1.00 H new ATOM 0 HG13 ILE P 13 2.446 19.231 14.154 1.00 1.00 H new ATOM 0 HG21 ILE P 13 2.500 21.416 17.161 1.00 1.00 H new ATOM 0 HG22 ILE P 13 0.839 21.067 17.695 1.00 1.00 H new ATOM 0 HG23 ILE P 13 2.093 19.810 17.810 1.00 1.00 H new ATOM 0 HD11 ILE P 13 4.618 20.348 14.609 1.00 1.00 H new ATOM 0 HD12 ILE P 13 3.317 21.554 14.459 1.00 1.00 H new ATOM 0 HD13 ILE P 13 3.930 21.102 16.067 1.00 1.00 H new ATOM 218 N ARG P 14 -0.420 18.747 18.124 1.00 1.00 N ATOM 219 CA ARG P 14 -0.479 18.052 19.411 1.00 1.00 C ATOM 220 C ARG P 14 -1.252 16.751 19.254 1.00 1.00 C ATOM 221 O ARG P 14 -0.842 15.697 19.727 1.00 1.00 O ATOM 222 CB ARG P 14 -1.141 18.944 20.465 1.00 1.00 C ATOM 223 CG ARG P 14 -1.112 18.245 21.823 1.00 1.00 C ATOM 224 CD ARG P 14 -1.629 19.210 22.894 1.00 1.00 C ATOM 225 NE ARG P 14 -3.028 19.537 22.645 1.00 1.00 N ATOM 226 CZ ARG P 14 -3.647 20.487 23.343 1.00 1.00 C ATOM 227 NH1 ARG P 14 -3.003 21.140 24.273 1.00 1.00 N ATOM 228 NH2 ARG P 14 -4.902 20.762 23.098 1.00 1.00 N ATOM 0 H ARG P 14 -0.939 19.624 18.086 1.00 1.00 H new ATOM 0 HA ARG P 14 0.534 17.824 19.742 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -0.620 19.899 20.526 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -2.170 19.160 20.178 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -1.729 17.347 21.797 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -0.097 17.928 22.061 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -1.523 18.760 23.881 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -1.030 20.120 22.893 1.00 1.00 H new ATOM 0 HE ARG P 14 -3.541 19.030 21.924 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -2.025 20.922 24.465 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -3.478 21.868 24.807 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -5.404 20.249 22.374 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -5.378 21.489 23.631 1.00 1.00 H new ATOM 242 N ARG P 15 -2.375 16.854 18.579 1.00 1.00 N ATOM 243 CA ARG P 15 -3.230 15.724 18.332 1.00 1.00 C ATOM 244 C ARG P 15 -2.409 14.619 17.693 1.00 1.00 C ATOM 245 O ARG P 15 -2.598 13.445 17.974 1.00 1.00 O ATOM 246 CB ARG P 15 -4.373 16.179 17.427 1.00 1.00 C ATOM 247 CG ARG P 15 -5.333 17.055 18.230 1.00 1.00 C ATOM 248 CD ARG P 15 -6.363 17.689 17.295 1.00 1.00 C ATOM 249 NE ARG P 15 -7.170 16.654 16.661 1.00 1.00 N ATOM 250 CZ ARG P 15 -8.047 16.953 15.710 1.00 1.00 C ATOM 251 NH1 ARG P 15 -8.191 18.192 15.322 1.00 1.00 N ATOM 252 NH2 ARG P 15 -8.760 16.009 15.165 1.00 1.00 N ATOM 0 H ARG P 15 -2.719 17.730 18.186 1.00 1.00 H new ATOM 0 HA ARG P 15 -3.655 15.334 19.257 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -3.979 16.735 16.576 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -4.901 15.314 17.025 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -5.837 16.457 18.989 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -4.778 17.833 18.754 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -7.005 18.368 17.856 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -5.857 18.283 16.534 1.00 1.00 H new ATOM 0 HE ARG P 15 -7.059 15.683 16.953 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -7.630 18.929 15.750 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -8.864 18.423 14.591 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -8.644 15.042 15.469 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -9.434 16.236 14.434 1.00 1.00 H new ATOM 266 N ALA P 16 -1.463 14.980 16.841 1.00 1.00 N ATOM 267 CA ALA P 16 -0.635 13.961 16.218 1.00 1.00 C ATOM 268 C ALA P 16 -0.044 13.129 17.339 1.00 1.00 C ATOM 269 O ALA P 16 0.290 11.957 17.178 1.00 1.00 O ATOM 270 CB ALA P 16 0.471 14.583 15.361 1.00 1.00 C ATOM 0 H ALA P 16 -1.253 15.941 16.571 1.00 1.00 H new ATOM 0 HA ALA P 16 -1.233 13.345 15.547 1.00 1.00 H new ATOM 0 HB1 ALA P 16 1.071 13.792 14.911 1.00 1.00 H new ATOM 0 HB2 ALA P 16 0.024 15.191 14.575 1.00 1.00 H new ATOM 0 HB3 ALA P 16 1.107 15.209 15.987 1.00 1.00 H new ATOM 276 N SER P 17 0.052 13.789 18.486 1.00 1.00 N ATOM 277 CA SER P 17 0.578 13.167 19.690 1.00 1.00 C ATOM 278 C SER P 17 -0.548 12.397 20.398 1.00 1.00 C ATOM 279 O SER P 17 -0.503 11.170 20.503 1.00 1.00 O ATOM 280 CB SER P 17 1.182 14.237 20.627 1.00 1.00 C ATOM 281 OG SER P 17 1.611 15.348 19.847 1.00 1.00 O ATOM 0 H SER P 17 -0.230 14.762 18.606 1.00 1.00 H new ATOM 0 HA SER P 17 1.371 12.469 19.421 1.00 1.00 H new ATOM 0 HB2 SER P 17 0.442 14.556 21.361 1.00 1.00 H new ATOM 0 HB3 SER P 17 2.022 13.820 21.182 1.00 1.00 H new ATOM 0 HG SER P 17 0.829 15.843 19.525 1.00 1.00 H new ATOM 287 N THR P 18 -1.556 13.135 20.901 1.00 1.00 N ATOM 288 CA THR P 18 -2.694 12.533 21.623 1.00 1.00 C ATOM 289 C THR P 18 -4.057 12.849 20.990 1.00 1.00 C ATOM 290 O THR P 18 -5.023 13.139 21.698 1.00 1.00 O ATOM 291 CB THR P 18 -2.686 13.032 23.071 1.00 1.00 C ATOM 292 OG1 THR P 18 -3.887 12.621 23.720 1.00 1.00 O ATOM 293 CG2 THR P 18 -2.594 14.557 23.082 1.00 1.00 C ATOM 0 H THR P 18 -1.606 14.151 20.821 1.00 1.00 H new ATOM 0 HA THR P 18 -2.566 11.452 21.572 1.00 1.00 H new ATOM 0 HB THR P 18 -1.828 12.614 23.597 1.00 1.00 H new ATOM 0 HG1 THR P 18 -4.635 13.167 23.400 1.00 1.00 H new ATOM 0 HG21 THR P 18 -2.588 14.914 24.112 1.00 1.00 H new ATOM 0 HG22 THR P 18 -1.676 14.870 22.585 1.00 1.00 H new ATOM 0 HG23 THR P 18 -3.452 14.977 22.557 1.00 1.00 H new ATOM 301 N ILE P 19 -4.132 12.783 19.662 1.00 1.00 N ATOM 302 CA ILE P 19 -5.395 13.055 18.951 1.00 1.00 C ATOM 303 C ILE P 19 -6.531 12.384 19.693 1.00 1.00 C ATOM 304 O ILE P 19 -7.675 12.842 19.669 1.00 1.00 O ATOM 305 CB ILE P 19 -5.359 12.507 17.516 1.00 1.00 C ATOM 306 CG1 ILE P 19 -6.762 12.678 16.821 1.00 1.00 C ATOM 307 CG2 ILE P 19 -4.913 11.039 17.559 1.00 1.00 C ATOM 308 CD1 ILE P 19 -7.606 11.385 16.839 1.00 1.00 C ATOM 0 H ILE P 19 -3.346 12.547 19.056 1.00 1.00 H new ATOM 0 HA ILE P 19 -5.537 14.135 18.909 1.00 1.00 H new ATOM 0 HB ILE P 19 -4.643 13.071 16.918 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -7.315 13.473 17.322 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -6.614 12.994 15.788 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -4.883 10.638 16.546 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -3.920 10.973 18.005 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -5.618 10.462 18.157 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -8.561 11.567 16.346 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -7.071 10.594 16.314 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -7.783 11.080 17.870 1.00 1.00 H new ATOM 320 N GLU P 20 -6.184 11.281 20.362 1.00 1.00 N ATOM 321 CA GLU P 20 -7.132 10.505 21.139 1.00 1.00 C ATOM 322 C GLU P 20 -6.617 10.407 22.565 1.00 1.00 C ATOM 323 O GLU P 20 -5.519 9.929 22.827 1.00 1.00 O ATOM 324 CB GLU P 20 -7.346 9.115 20.483 1.00 1.00 C ATOM 325 CG GLU P 20 -6.240 8.110 20.844 1.00 1.00 C ATOM 326 CD GLU P 20 -4.882 8.617 20.350 1.00 1.00 C ATOM 327 OE1 GLU P 20 -4.638 8.520 19.158 1.00 1.00 O ATOM 328 OE2 GLU P 20 -4.104 9.083 21.163 1.00 1.00 O ATOM 0 H GLU P 20 -5.235 10.907 20.375 1.00 1.00 H new ATOM 0 HA GLU P 20 -8.108 10.991 21.162 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -8.310 8.715 20.796 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -7.386 9.232 19.400 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -6.211 7.963 21.924 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -6.459 7.141 20.396 1.00 1.00 H new ATOM 335 N MET P 21 -7.426 10.883 23.485 1.00 1.00 N ATOM 336 CA MET P 21 -7.043 10.855 24.895 1.00 1.00 C ATOM 337 C MET P 21 -6.566 9.462 25.304 1.00 1.00 C ATOM 338 O MET P 21 -5.538 9.338 25.961 1.00 1.00 O ATOM 339 CB MET P 21 -8.200 11.304 25.831 1.00 1.00 C ATOM 340 CG MET P 21 -9.268 12.048 25.030 1.00 1.00 C ATOM 341 SD MET P 21 -8.520 13.464 24.180 1.00 1.00 S ATOM 342 CE MET P 21 -8.883 14.712 25.437 1.00 1.00 C ATOM 0 H MET P 21 -8.342 11.290 23.296 1.00 1.00 H new ATOM 0 HA MET P 21 -6.225 11.566 25.007 1.00 1.00 H new ATOM 0 HB2 MET P 21 -8.641 10.435 26.319 1.00 1.00 H new ATOM 0 HB3 MET P 21 -7.811 11.949 26.619 1.00 1.00 H new ATOM 0 HG2 MET P 21 -9.725 11.376 24.304 1.00 1.00 H new ATOM 0 HG3 MET P 21 -10.063 12.389 25.694 1.00 1.00 H new ATOM 0 HE1 MET P 21 -8.501 15.679 25.110 1.00 1.00 H new ATOM 0 HE2 MET P 21 -9.961 14.778 25.584 1.00 1.00 H new ATOM 0 HE3 MET P 21 -8.406 14.432 26.376 1.00 1.00 H new ATOM 352 N PRO P 22 -7.274 8.414 24.951 1.00 1.00 N ATOM 353 CA PRO P 22 -6.848 7.051 25.337 1.00 1.00 C ATOM 354 C PRO P 22 -5.388 6.816 24.985 1.00 1.00 C ATOM 355 O PRO P 22 -4.959 7.050 23.861 1.00 1.00 O ATOM 356 CB PRO P 22 -7.783 6.134 24.548 1.00 1.00 C ATOM 357 CG PRO P 22 -9.017 6.947 24.340 1.00 1.00 C ATOM 358 CD PRO P 22 -8.525 8.387 24.165 1.00 1.00 C ATOM 0 HA PRO P 22 -6.913 6.873 26.410 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -7.339 5.837 23.598 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -7.999 5.219 25.099 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -9.567 6.610 23.462 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.692 6.862 25.191 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.347 8.627 23.117 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -9.251 9.109 24.539 1.00 1.00 H new ATOM 366 N GLN P 23 -4.648 6.359 25.964 1.00 1.00 N ATOM 367 CA GLN P 23 -3.218 6.088 25.789 1.00 1.00 C ATOM 368 C GLN P 23 -2.959 4.746 25.099 1.00 1.00 C ATOM 369 O GLN P 23 -1.866 4.518 24.574 1.00 1.00 O ATOM 370 CB GLN P 23 -2.521 6.106 27.149 1.00 1.00 C ATOM 371 CG GLN P 23 -2.545 7.516 27.721 1.00 1.00 C ATOM 372 CD GLN P 23 -1.913 7.518 29.112 1.00 1.00 C ATOM 373 OE1 GLN P 23 -2.418 6.869 30.028 1.00 1.00 O ATOM 374 NE2 GLN P 23 -0.831 8.214 29.325 1.00 1.00 N ATOM 0 H GLN P 23 -5.002 6.162 26.900 1.00 1.00 H new ATOM 0 HA GLN P 23 -2.815 6.870 25.146 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -3.019 5.418 27.832 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -1.492 5.763 27.045 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -2.002 8.195 27.063 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -3.571 7.879 27.777 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -0.413 8.752 28.566 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -0.403 8.221 30.251 1.00 1.00 H new ATOM 383 N GLN P 24 -3.956 3.862 25.097 1.00 1.00 N ATOM 384 CA GLN P 24 -3.817 2.547 24.467 1.00 1.00 C ATOM 385 C GLN P 24 -4.492 2.571 23.107 1.00 1.00 C ATOM 386 O GLN P 24 -3.903 2.201 22.094 1.00 1.00 O ATOM 387 CB GLN P 24 -4.473 1.476 25.345 1.00 1.00 C ATOM 388 CG GLN P 24 -3.684 1.324 26.643 1.00 1.00 C ATOM 389 CD GLN P 24 -4.374 0.320 27.560 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.593 0.360 27.719 1.00 1.00 O ATOM 391 NE2 GLN P 24 -3.662 -0.581 28.173 1.00 1.00 N ATOM 0 H GLN P 24 -4.867 4.031 25.523 1.00 1.00 H new ATOM 0 HA GLN P 24 -2.759 2.312 24.350 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.504 1.753 25.565 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.505 0.525 24.813 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -2.669 0.991 26.424 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -3.602 2.289 27.143 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -2.651 -0.611 28.038 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -4.115 -1.257 28.788 1.00 1.00 H new ATOM 400 N ALA P 25 -5.741 3.018 23.109 1.00 1.00 N ATOM 401 CA ALA P 25 -6.503 3.095 21.869 1.00 1.00 C ATOM 402 C ALA P 25 -5.685 3.901 20.865 1.00 1.00 C ATOM 403 O ALA P 25 -5.919 3.866 19.661 1.00 1.00 O ATOM 404 CB ALA P 25 -7.910 3.720 22.108 1.00 1.00 C ATOM 0 H ALA P 25 -6.242 3.328 23.941 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.681 2.095 21.474 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.454 3.764 21.164 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.465 3.107 22.818 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -7.797 4.727 22.509 1.00 1.00 H new ATOM 410 N ARG P 26 -4.710 4.626 21.392 1.00 1.00 N ATOM 411 CA ARG P 26 -3.852 5.429 20.580 1.00 1.00 C ATOM 412 C ARG P 26 -3.042 4.531 19.676 1.00 1.00 C ATOM 413 O ARG P 26 -3.300 4.441 18.485 1.00 1.00 O ATOM 414 CB ARG P 26 -2.934 6.249 21.497 1.00 1.00 C ATOM 415 CG ARG P 26 -1.876 6.978 20.681 1.00 1.00 C ATOM 416 CD ARG P 26 -1.053 7.880 21.598 1.00 1.00 C ATOM 417 NE ARG P 26 -0.014 8.563 20.832 1.00 1.00 N ATOM 418 CZ ARG P 26 1.022 9.131 21.440 1.00 1.00 C ATOM 419 NH1 ARG P 26 1.117 9.093 22.743 1.00 1.00 N ATOM 420 NH2 ARG P 26 1.942 9.727 20.735 1.00 1.00 N ATOM 0 H ARG P 26 -4.504 4.665 22.390 1.00 1.00 H new ATOM 0 HA ARG P 26 -4.436 6.110 19.960 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -3.525 6.969 22.063 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -2.453 5.592 22.222 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -1.226 6.258 20.184 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -2.350 7.572 19.900 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -1.702 8.612 22.078 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -0.599 7.287 22.392 1.00 1.00 H new ATOM 0 HE ARG P 26 -0.085 8.605 19.815 1.00 1.00 H new ATOM 0 HH11 ARG P 26 0.396 8.627 23.294 1.00 1.00 H new ATOM 0 HH12 ARG P 26 1.912 9.529 23.209 1.00 1.00 H new ATOM 0 HH21 ARG P 26 1.866 9.757 19.718 1.00 1.00 H new ATOM 0 HH22 ARG P 26 2.738 10.164 21.200 1.00 1.00 H new ATOM 434 N GLN P 27 -2.052 3.875 20.250 1.00 1.00 N ATOM 435 CA GLN P 27 -1.194 2.991 19.480 1.00 1.00 C ATOM 436 C GLN P 27 -1.910 1.724 19.027 1.00 1.00 C ATOM 437 O GLN P 27 -1.621 1.210 17.953 1.00 1.00 O ATOM 438 CB GLN P 27 0.037 2.624 20.307 1.00 1.00 C ATOM 439 CG GLN P 27 0.976 1.746 19.479 1.00 1.00 C ATOM 440 CD GLN P 27 2.287 1.538 20.229 1.00 1.00 C ATOM 441 OE1 GLN P 27 2.609 2.306 21.137 1.00 1.00 O ATOM 442 NE2 GLN P 27 3.065 0.543 19.904 1.00 1.00 N ATOM 0 H GLN P 27 -1.821 3.936 21.242 1.00 1.00 H new ATOM 0 HA GLN P 27 -0.898 3.529 18.580 1.00 1.00 H new ATOM 0 HB2 GLN P 27 0.556 3.529 20.624 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -0.266 2.096 21.211 1.00 1.00 H new ATOM 0 HG2 GLN P 27 0.505 0.784 19.278 1.00 1.00 H new ATOM 0 HG3 GLN P 27 1.169 2.214 18.514 1.00 1.00 H new ATOM 0 HE21 GLN P 27 2.795 -0.091 19.152 1.00 1.00 H new ATOM 0 HE22 GLN P 27 3.943 0.399 20.402 1.00 1.00 H new ATOM 451 N ASN P 28 -2.833 1.213 19.832 1.00 1.00 N ATOM 452 CA ASN P 28 -3.538 -0.008 19.442 1.00 2.18 C ATOM 453 C ASN P 28 -4.285 0.155 18.119 1.00 1.00 C ATOM 454 O ASN P 28 -4.049 -0.586 17.160 1.00 1.00 O ATOM 455 CB ASN P 28 -4.528 -0.418 20.532 1.00 1.00 C ATOM 456 CG ASN P 28 -3.793 -0.849 21.797 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.411 -1.009 22.847 1.00 1.00 O ATOM 458 ND2 ASN P 28 -2.501 -1.047 21.766 1.00 1.00 N ATOM 0 H ASN P 28 -3.107 1.607 20.732 1.00 1.00 H new ATOM 0 HA ASN P 28 -2.784 -0.784 19.311 1.00 2.18 H new ATOM 0 HB2 ASN P 28 -5.192 0.416 20.758 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.153 -1.235 20.173 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -2.009 -1.334 22.612 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -1.986 -0.915 20.896 1.00 1.00 H new ATOM 465 N LEU P 29 -5.183 1.122 18.071 1.00 1.00 N ATOM 466 CA LEU P 29 -5.960 1.373 16.862 1.00 2.75 C ATOM 467 C LEU P 29 -5.059 1.859 15.760 1.00 1.00 C ATOM 468 O LEU P 29 -5.220 1.491 14.595 1.00 1.00 O ATOM 469 CB LEU P 29 -7.026 2.434 17.130 1.00 1.00 C ATOM 470 CG LEU P 29 -7.807 2.062 18.381 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.789 3.190 18.727 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.583 0.751 18.151 1.00 1.00 C ATOM 0 H LEU P 29 -5.395 1.746 18.849 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.438 0.440 16.563 1.00 2.75 H new ATOM 0 HB2 LEU P 29 -6.559 3.411 17.257 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -7.700 2.511 16.277 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.110 1.920 19.207 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.349 2.923 19.624 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -8.236 4.112 18.906 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.481 3.337 17.898 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.139 0.494 19.053 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.278 0.880 17.321 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.882 -0.050 17.916 1.00 1.00 H new ATOM 484 N GLN P 30 -4.104 2.688 16.136 1.00 1.00 N ATOM 485 CA GLN P 30 -3.171 3.223 15.153 1.00 3.54 C ATOM 486 C GLN P 30 -2.198 2.148 14.681 1.00 1.00 C ATOM 487 O GLN P 30 -1.700 2.211 13.562 1.00 1.00 O ATOM 488 CB GLN P 30 -2.388 4.414 15.709 1.00 1.00 C ATOM 489 CG GLN P 30 -3.333 5.598 15.918 1.00 1.00 C ATOM 490 CD GLN P 30 -3.805 6.135 14.571 1.00 1.00 C ATOM 491 OE1 GLN P 30 -2.991 6.401 13.687 1.00 1.00 O ATOM 492 NE2 GLN P 30 -5.081 6.308 14.361 1.00 1.00 N ATOM 0 H GLN P 30 -3.952 3.003 17.094 1.00 1.00 H new ATOM 0 HA GLN P 30 -3.764 3.565 14.305 1.00 3.54 H new ATOM 0 HB2 GLN P 30 -1.915 4.142 16.653 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -1.590 4.690 15.020 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -4.190 5.288 16.515 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -2.825 6.385 16.474 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.753 6.087 15.095 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -5.406 6.665 13.462 1.00 1.00 H new ATOM 501 N ASN P 31 -1.927 1.158 15.528 1.00 1.00 N ATOM 502 CA ASN P 31 -1.009 0.093 15.139 1.00 2.59 C ATOM 503 C ASN P 31 -1.595 -0.688 13.974 1.00 1.00 C ATOM 504 O ASN P 31 -0.893 -1.023 13.024 1.00 1.00 O ATOM 505 CB ASN P 31 -0.729 -0.856 16.310 1.00 1.00 C ATOM 506 CG ASN P 31 0.063 -2.074 15.837 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.476 -2.137 14.680 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.297 -3.049 16.668 1.00 1.00 N ATOM 0 H ASN P 31 -2.319 1.071 16.466 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.066 0.550 14.840 1.00 2.59 H new ATOM 0 HB2 ASN P 31 -0.171 -0.331 17.085 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.669 -1.178 16.757 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.823 -3.866 16.360 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.046 -2.995 17.627 1.00 1.00 H new ATOM 515 N LEU P 32 -2.886 -0.972 14.059 1.00 1.00 N ATOM 516 CA LEU P 32 -3.566 -1.710 13.008 1.00 2.19 C ATOM 517 C LEU P 32 -3.578 -0.891 11.731 1.00 1.00 C ATOM 518 O LEU P 32 -3.266 -1.396 10.664 1.00 1.00 O ATOM 519 CB LEU P 32 -5.006 -2.021 13.419 1.00 1.00 C ATOM 520 CG LEU P 32 -5.026 -3.015 14.590 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.446 -3.079 15.159 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.590 -4.428 14.122 1.00 1.00 C ATOM 0 H LEU P 32 -3.481 -0.703 14.843 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.032 -2.646 12.841 1.00 2.19 H new ATOM 0 HB2 LEU P 32 -5.516 -1.101 13.706 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.551 -2.437 12.572 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.327 -2.677 15.355 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.473 -3.782 15.992 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.743 -2.090 15.509 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -7.135 -3.410 14.382 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -4.612 -5.114 14.968 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -5.273 -4.782 13.350 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.578 -4.382 13.719 1.00 1.00 H new ATOM 534 N PHE P 33 -3.935 0.380 11.848 1.00 1.00 N ATOM 535 CA PHE P 33 -3.974 1.255 10.682 1.00 2.63 C ATOM 536 C PHE P 33 -2.568 1.439 10.118 1.00 1.00 C ATOM 537 O PHE P 33 -2.331 1.272 8.921 1.00 1.00 O ATOM 538 CB PHE P 33 -4.561 2.618 11.065 1.00 1.00 C ATOM 539 CG PHE P 33 -4.557 3.530 9.858 1.00 1.00 C ATOM 540 CD1 PHE P 33 -5.527 3.373 8.862 1.00 1.00 C ATOM 541 CD2 PHE P 33 -3.585 4.532 9.734 1.00 1.00 C ATOM 542 CE1 PHE P 33 -5.523 4.215 7.744 1.00 1.00 C ATOM 543 CE2 PHE P 33 -3.582 5.375 8.616 1.00 1.00 C ATOM 544 CZ PHE P 33 -4.551 5.217 7.619 1.00 1.00 C ATOM 0 H PHE P 33 -4.199 0.826 12.727 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.606 0.797 9.922 1.00 2.63 H new ATOM 0 HB2 PHE P 33 -5.578 2.495 11.437 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -3.978 3.063 11.871 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -6.278 2.603 8.956 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -2.836 4.654 10.503 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -6.271 4.092 6.975 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -2.832 6.147 8.523 1.00 1.00 H new ATOM 0 HZ PHE P 33 -4.550 5.865 6.755 1.00 1.00 H new ATOM 554 N ILE P 34 -1.645 1.791 11.001 1.00 1.00 N ATOM 555 CA ILE P 34 -0.270 2.001 10.589 1.00 2.62 C ATOM 556 C ILE P 34 0.322 0.704 10.057 1.00 1.00 C ATOM 557 O ILE P 34 0.968 0.699 9.018 1.00 1.00 O ATOM 558 CB ILE P 34 0.563 2.523 11.771 1.00 1.00 C ATOM 559 CG1 ILE P 34 0.100 3.939 12.134 1.00 1.00 C ATOM 560 CG2 ILE P 34 2.042 2.568 11.385 1.00 1.00 C ATOM 561 CD1 ILE P 34 0.680 4.325 13.494 1.00 1.00 C ATOM 0 H ILE P 34 -1.822 1.935 11.995 1.00 1.00 H new ATOM 0 HA ILE P 34 -0.251 2.745 9.793 1.00 2.62 H new ATOM 0 HB ILE P 34 0.429 1.857 12.623 1.00 1.00 H new ATOM 0 HG12 ILE P 34 0.426 4.647 11.372 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.989 3.982 12.164 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.627 2.939 12.227 1.00 1.00 H new ATOM 0 HG22 ILE P 34 2.380 1.566 11.122 1.00 1.00 H new ATOM 0 HG23 ILE P 34 2.175 3.232 10.531 1.00 1.00 H new ATOM 0 HD11 ILE P 34 0.354 5.331 13.756 1.00 1.00 H new ATOM 0 HD12 ILE P 34 0.332 3.622 14.251 1.00 1.00 H new ATOM 0 HD13 ILE P 34 1.769 4.298 13.446 1.00 1.00 H new ATOM 573 N ASN P 35 0.103 -0.394 10.768 1.00 1.00 N ATOM 574 CA ASN P 35 0.634 -1.674 10.333 1.00 2.80 C ATOM 575 C ASN P 35 -0.064 -2.131 9.071 1.00 1.00 C ATOM 576 O ASN P 35 0.574 -2.545 8.107 1.00 1.00 O ATOM 577 CB ASN P 35 0.448 -2.723 11.430 1.00 1.00 C ATOM 578 CG ASN P 35 1.086 -4.042 11.008 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.024 -4.051 10.211 1.00 1.00 O ATOM 580 ND2 ASN P 35 0.631 -5.163 11.502 1.00 1.00 N ATOM 0 H ASN P 35 -0.431 -0.423 11.636 1.00 1.00 H new ATOM 0 HA ASN P 35 1.698 -1.554 10.128 1.00 2.80 H new ATOM 0 HB2 ASN P 35 0.899 -2.373 12.359 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.614 -2.870 11.627 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.053 -6.050 11.227 1.00 1.00 H new ATOM 0 HD22 ASN P 35 -0.146 -5.151 12.162 1.00 1.00 H new ATOM 587 N PHE P 36 -1.384 -2.062 9.088 1.00 1.00 N ATOM 588 CA PHE P 36 -2.176 -2.482 7.938 1.00 2.85 C ATOM 589 C PHE P 36 -2.012 -1.556 6.738 1.00 1.00 C ATOM 590 O PHE P 36 -2.033 -2.005 5.592 1.00 1.00 O ATOM 591 CB PHE P 36 -3.656 -2.582 8.312 1.00 1.00 C ATOM 592 CG PHE P 36 -4.423 -3.250 7.193 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.271 -4.624 6.965 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.290 -2.500 6.384 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.979 -5.247 5.933 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.999 -3.124 5.350 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.843 -4.499 5.125 1.00 1.00 C ATOM 0 H PHE P 36 -1.930 -1.722 9.879 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.802 -3.463 7.647 1.00 2.85 H new ATOM 0 HB2 PHE P 36 -3.770 -3.152 9.234 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.061 -1.588 8.500 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.605 -5.203 7.588 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.411 -1.441 6.559 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.859 -6.306 5.759 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.665 -2.547 4.726 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.390 -4.981 4.328 1.00 1.00 H new ATOM 607 N ALA P 37 -1.841 -0.270 6.994 1.00 1.00 N ATOM 608 CA ALA P 37 -1.669 0.687 5.911 1.00 1.80 C ATOM 609 C ALA P 37 -0.274 0.563 5.316 1.00 1.00 C ATOM 610 O ALA P 37 -0.080 0.745 4.126 1.00 1.00 O ATOM 611 CB ALA P 37 -1.880 2.113 6.422 1.00 1.00 C ATOM 0 H ALA P 37 -1.817 0.133 7.931 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.409 0.470 5.141 1.00 1.80 H new ATOM 0 HB1 ALA P 37 -1.748 2.817 5.601 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.888 2.210 6.824 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.154 2.330 7.206 1.00 1.00 H new ATOM 617 N LEU P 38 0.698 0.253 6.157 1.00 1.00 N ATOM 618 CA LEU P 38 2.070 0.112 5.693 1.00 1.91 C ATOM 619 C LEU P 38 2.196 -1.070 4.733 1.00 1.00 C ATOM 620 O LEU P 38 2.945 -1.004 3.756 1.00 1.00 O ATOM 621 CB LEU P 38 3.028 -0.061 6.888 1.00 1.00 C ATOM 622 CG LEU P 38 3.350 1.306 7.539 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.947 1.078 8.930 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.371 2.097 6.684 1.00 1.00 C ATOM 0 H LEU P 38 0.566 0.095 7.156 1.00 1.00 H new ATOM 0 HA LEU P 38 2.345 1.020 5.157 1.00 1.91 H new ATOM 0 HB2 LEU P 38 2.578 -0.724 7.627 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.951 -0.536 6.554 1.00 1.00 H new ATOM 0 HG LEU P 38 2.425 1.879 7.609 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.175 2.039 9.390 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.230 0.540 9.550 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.862 0.492 8.842 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.582 3.054 7.162 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.294 1.524 6.597 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.957 2.271 5.691 1.00 1.00 H new ATOM 636 N ILE P 39 1.461 -2.145 4.995 1.00 1.00 N ATOM 637 CA ILE P 39 1.525 -3.305 4.115 1.00 3.36 C ATOM 638 C ILE P 39 0.934 -2.931 2.754 1.00 1.00 C ATOM 639 O ILE P 39 1.481 -3.273 1.704 1.00 1.00 O ATOM 640 CB ILE P 39 0.736 -4.482 4.713 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.423 -4.994 5.998 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.623 -5.620 3.692 1.00 1.00 C ATOM 643 CD1 ILE P 39 2.872 -5.455 5.739 1.00 1.00 C ATOM 0 H ILE P 39 0.828 -2.238 5.790 1.00 1.00 H new ATOM 0 HA ILE P 39 2.566 -3.609 4.001 1.00 3.36 H new ATOM 0 HB ILE P 39 -0.265 -4.133 4.965 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.424 -4.203 6.748 1.00 1.00 H new ATOM 0 HG13 ILE P 39 0.848 -5.823 6.410 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.062 -6.446 4.129 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.106 -5.261 2.802 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.621 -5.963 3.418 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.314 -5.806 6.671 1.00 1.00 H new ATOM 0 HD12 ILE P 39 2.871 -6.265 5.010 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.456 -4.620 5.353 1.00 1.00 H new ATOM 655 N LEU P 40 -0.195 -2.226 2.790 1.00 1.00 N ATOM 656 CA LEU P 40 -0.857 -1.810 1.556 1.00 2.91 C ATOM 657 C LEU P 40 -0.092 -0.675 0.870 1.00 1.00 C ATOM 658 O LEU P 40 0.178 -0.741 -0.322 1.00 1.00 O ATOM 659 CB LEU P 40 -2.291 -1.357 1.847 1.00 1.00 C ATOM 660 CG LEU P 40 -3.154 -2.548 2.304 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.505 -2.017 2.806 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.384 -3.544 1.135 1.00 1.00 C ATOM 0 H LEU P 40 -0.665 -1.934 3.647 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.876 -2.669 0.886 1.00 2.91 H new ATOM 0 HB2 LEU P 40 -2.285 -0.588 2.619 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.725 -0.908 0.953 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.636 -3.077 3.104 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.125 -2.852 3.133 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.341 -1.338 3.643 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -5.009 -1.484 2.000 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.996 -4.377 1.482 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.894 -3.034 0.318 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.423 -3.921 0.784 1.00 1.00 H new ATOM 674 N ILE P 41 0.247 0.363 1.631 1.00 1.00 N ATOM 675 CA ILE P 41 0.967 1.493 1.075 1.00 1.73 C ATOM 676 C ILE P 41 2.333 1.051 0.547 1.00 1.00 C ATOM 677 O ILE P 41 2.716 1.414 -0.560 1.00 1.00 O ATOM 678 CB ILE P 41 1.107 2.579 2.152 1.00 1.00 C ATOM 679 CG1 ILE P 41 -0.274 3.217 2.467 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.094 3.649 1.701 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.897 3.908 1.237 1.00 1.00 C ATOM 0 H ILE P 41 0.034 0.440 2.626 1.00 1.00 H new ATOM 0 HA ILE P 41 0.411 1.904 0.232 1.00 1.73 H new ATOM 0 HB ILE P 41 1.488 2.114 3.062 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.953 2.446 2.830 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.160 3.945 3.270 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.183 4.412 2.475 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.069 3.194 1.526 1.00 1.00 H new ATOM 0 HG23 ILE P 41 1.737 4.108 0.779 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.861 4.338 1.510 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.233 4.699 0.889 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -1.038 3.176 0.441 1.00 1.00 H new ATOM 693 N PHE P 42 3.071 0.277 1.326 1.00 1.00 N ATOM 694 CA PHE P 42 4.383 -0.170 0.874 1.00 2.36 C ATOM 695 C PHE P 42 4.263 -0.955 -0.435 1.00 1.00 C ATOM 696 O PHE P 42 5.002 -0.708 -1.389 1.00 1.00 O ATOM 697 CB PHE P 42 5.036 -1.048 1.946 1.00 1.00 C ATOM 698 CG PHE P 42 6.404 -1.470 1.470 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.463 -0.559 1.504 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.611 -2.770 0.994 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.734 -0.944 1.062 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.881 -3.156 0.552 1.00 1.00 C ATOM 703 CZ PHE P 42 8.943 -2.243 0.587 1.00 1.00 C ATOM 0 H PHE P 42 2.796 -0.050 2.252 1.00 1.00 H new ATOM 0 HA PHE P 42 5.005 0.708 0.699 1.00 2.36 H new ATOM 0 HB2 PHE P 42 5.117 -0.499 2.884 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.419 -1.925 2.142 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.301 0.443 1.872 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.792 -3.474 0.968 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.552 -0.239 1.088 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.043 -4.158 0.184 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.923 -2.542 0.247 1.00 1.00 H new ATOM 713 N LEU P 43 3.327 -1.897 -0.475 1.00 1.00 N ATOM 714 CA LEU P 43 3.117 -2.706 -1.668 1.00 2.68 C ATOM 715 C LEU P 43 2.609 -1.849 -2.826 1.00 1.00 C ATOM 716 O LEU P 43 3.057 -1.990 -3.959 1.00 1.00 O ATOM 717 CB LEU P 43 2.102 -3.816 -1.379 1.00 1.00 C ATOM 718 CG LEU P 43 2.698 -4.864 -0.420 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.574 -5.785 0.070 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.782 -5.707 -1.138 1.00 1.00 C ATOM 0 H LEU P 43 2.704 -2.118 0.302 1.00 1.00 H new ATOM 0 HA LEU P 43 4.074 -3.146 -1.949 1.00 2.68 H new ATOM 0 HB2 LEU P 43 1.201 -3.386 -0.941 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.806 -4.296 -2.312 1.00 1.00 H new ATOM 0 HG LEU P 43 3.161 -4.353 0.424 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.985 -6.531 0.750 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.821 -5.194 0.592 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.116 -6.285 -0.783 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.191 -6.441 -0.444 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.338 -6.221 -1.990 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.581 -5.052 -1.486 1.00 1.00 H new ATOM 732 N LEU P 44 1.674 -0.959 -2.543 1.00 1.00 N ATOM 733 CA LEU P 44 1.133 -0.098 -3.583 1.00 2.27 C ATOM 734 C LEU P 44 2.192 0.866 -4.102 1.00 1.00 C ATOM 735 O LEU P 44 2.255 1.143 -5.297 1.00 1.00 O ATOM 736 CB LEU P 44 -0.067 0.687 -3.051 1.00 1.00 C ATOM 737 CG LEU P 44 -1.273 -0.252 -2.850 1.00 1.00 C ATOM 738 CD1 LEU P 44 -2.324 0.467 -2.001 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.899 -0.648 -4.215 1.00 1.00 C ATOM 0 H LEU P 44 1.277 -0.813 -1.615 1.00 1.00 H new ATOM 0 HA LEU P 44 0.810 -0.732 -4.409 1.00 2.27 H new ATOM 0 HB2 LEU P 44 0.192 1.165 -2.106 1.00 1.00 H new ATOM 0 HB3 LEU P 44 -0.329 1.482 -3.749 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.934 -1.159 -2.349 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -3.182 -0.188 -1.852 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.894 0.727 -1.034 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -2.645 1.375 -2.511 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.748 -1.311 -4.047 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -2.236 0.249 -4.735 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -1.153 -1.161 -4.822 1.00 1.00 H new ATOM 751 N LEU P 45 3.021 1.380 -3.202 1.00 1.00 N ATOM 752 CA LEU P 45 4.067 2.322 -3.597 1.00 2.47 C ATOM 753 C LEU P 45 5.062 1.699 -4.574 1.00 1.00 C ATOM 754 O LEU P 45 5.489 2.355 -5.520 1.00 1.00 O ATOM 755 CB LEU P 45 4.810 2.854 -2.353 1.00 1.00 C ATOM 756 CG LEU P 45 3.982 3.943 -1.638 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.649 4.275 -0.293 1.00 1.00 C ATOM 758 CD2 LEU P 45 3.894 5.227 -2.509 1.00 1.00 C ATOM 0 H LEU P 45 2.993 1.166 -2.205 1.00 1.00 H new ATOM 0 HA LEU P 45 3.578 3.151 -4.108 1.00 2.47 H new ATOM 0 HB2 LEU P 45 5.009 2.033 -1.665 1.00 1.00 H new ATOM 0 HB3 LEU P 45 5.776 3.262 -2.649 1.00 1.00 H new ATOM 0 HG LEU P 45 2.971 3.570 -1.473 1.00 1.00 H new ATOM 0 HD11 LEU P 45 4.071 5.044 0.220 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.688 3.378 0.325 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.661 4.639 -0.469 1.00 1.00 H new ATOM 0 HD21 LEU P 45 3.306 5.982 -1.986 1.00 1.00 H new ATOM 0 HD22 LEU P 45 4.897 5.612 -2.693 1.00 1.00 H new ATOM 0 HD23 LEU P 45 3.417 4.990 -3.460 1.00 1.00 H new ATOM 770 N ILE P 46 5.443 0.450 -4.364 1.00 1.00 N ATOM 771 CA ILE P 46 6.395 -0.170 -5.280 1.00 2.20 C ATOM 772 C ILE P 46 5.746 -0.290 -6.663 1.00 1.00 C ATOM 773 O ILE P 46 6.403 -0.114 -7.689 1.00 1.00 O ATOM 774 CB ILE P 46 6.883 -1.551 -4.737 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.328 -1.818 -5.198 1.00 1.00 C ATOM 776 CG2 ILE P 46 5.991 -2.707 -5.225 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.806 -3.155 -4.634 1.00 1.00 C ATOM 0 H ILE P 46 5.123 -0.140 -3.596 1.00 1.00 H new ATOM 0 HA ILE P 46 7.284 0.456 -5.365 1.00 2.20 H new ATOM 0 HB ILE P 46 6.831 -1.506 -3.649 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.376 -1.833 -6.287 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.983 -1.014 -4.861 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.365 -3.649 -4.825 1.00 1.00 H new ATOM 0 HG22 ILE P 46 4.969 -2.547 -4.882 1.00 1.00 H new ATOM 0 HG23 ILE P 46 6.007 -2.744 -6.314 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.829 -3.343 -4.961 1.00 1.00 H new ATOM 0 HD12 ILE P 46 8.773 -3.123 -3.545 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.158 -3.954 -4.993 1.00 1.00 H new ATOM 789 N ALA P 47 4.449 -0.590 -6.668 1.00 1.00 N ATOM 790 CA ALA P 47 3.705 -0.733 -7.916 1.00 1.70 C ATOM 791 C ALA P 47 3.724 0.565 -8.732 1.00 1.00 C ATOM 792 O ALA P 47 4.037 0.545 -9.921 1.00 1.00 O ATOM 793 CB ALA P 47 2.260 -1.128 -7.616 1.00 1.00 C ATOM 0 H ALA P 47 3.894 -0.738 -5.825 1.00 1.00 H new ATOM 0 HA ALA P 47 4.187 -1.513 -8.506 1.00 1.70 H new ATOM 0 HB1 ALA P 47 1.710 -1.233 -8.551 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.246 -2.076 -7.078 1.00 1.00 H new ATOM 0 HB3 ALA P 47 1.792 -0.357 -7.004 1.00 1.00 H new ATOM 799 N ILE P 48 3.384 1.688 -8.094 1.00 1.00 N ATOM 800 CA ILE P 48 3.367 2.979 -8.791 1.00 3.71 C ATOM 801 C ILE P 48 4.767 3.396 -9.254 1.00 1.00 C ATOM 802 O ILE P 48 4.937 3.853 -10.383 1.00 1.00 O ATOM 803 CB ILE P 48 2.787 4.071 -7.885 1.00 1.00 C ATOM 804 CG1 ILE P 48 1.388 3.663 -7.378 1.00 1.00 C ATOM 805 CG2 ILE P 48 2.693 5.392 -8.654 1.00 1.00 C ATOM 806 CD1 ILE P 48 0.443 3.343 -8.544 1.00 1.00 C ATOM 0 H ILE P 48 3.120 1.732 -7.110 1.00 1.00 H new ATOM 0 HA ILE P 48 2.736 2.858 -9.672 1.00 3.71 H new ATOM 0 HB ILE P 48 3.448 4.199 -7.028 1.00 1.00 H new ATOM 0 HG12 ILE P 48 1.474 2.792 -6.728 1.00 1.00 H new ATOM 0 HG13 ILE P 48 0.967 4.469 -6.777 1.00 1.00 H new ATOM 0 HG21 ILE P 48 2.280 6.163 -8.004 1.00 1.00 H new ATOM 0 HG22 ILE P 48 3.687 5.691 -8.986 1.00 1.00 H new ATOM 0 HG23 ILE P 48 2.045 5.263 -9.521 1.00 1.00 H new ATOM 0 HD11 ILE P 48 -0.534 3.059 -8.153 1.00 1.00 H new ATOM 0 HD12 ILE P 48 0.338 4.223 -9.179 1.00 1.00 H new ATOM 0 HD13 ILE P 48 0.853 2.520 -9.129 1.00 1.00 H new ATOM 818 N ILE P 49 5.763 3.244 -8.387 1.00 1.00 N ATOM 819 CA ILE P 49 7.132 3.623 -8.749 1.00 1.00 C ATOM 820 C ILE P 49 7.615 2.778 -9.917 1.00 1.00 C ATOM 821 O ILE P 49 8.206 3.291 -10.869 1.00 1.00 O ATOM 822 CB ILE P 49 8.064 3.426 -7.549 1.00 1.00 C ATOM 823 CG1 ILE P 49 7.714 4.430 -6.424 1.00 1.00 C ATOM 824 CG2 ILE P 49 9.535 3.589 -7.963 1.00 1.00 C ATOM 825 CD1 ILE P 49 7.867 5.892 -6.881 1.00 1.00 C ATOM 0 H ILE P 49 5.656 2.869 -7.445 1.00 1.00 H new ATOM 0 HA ILE P 49 7.141 4.673 -9.041 1.00 1.00 H new ATOM 0 HB ILE P 49 7.923 2.412 -7.175 1.00 1.00 H new ATOM 0 HG12 ILE P 49 6.689 4.260 -6.093 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.360 4.250 -5.565 1.00 1.00 H new ATOM 0 HG21 ILE P 49 10.176 3.444 -7.093 1.00 1.00 H new ATOM 0 HG22 ILE P 49 9.783 2.849 -8.724 1.00 1.00 H new ATOM 0 HG23 ILE P 49 9.691 4.590 -8.366 1.00 1.00 H new ATOM 0 HD11 ILE P 49 7.611 6.559 -6.058 1.00 1.00 H new ATOM 0 HD12 ILE P 49 8.898 6.072 -7.186 1.00 1.00 H new ATOM 0 HD13 ILE P 49 7.201 6.082 -7.723 1.00 1.00 H new ATOM 837 N VAL P 50 7.359 1.485 -9.844 1.00 1.00 N ATOM 838 CA VAL P 50 7.774 0.595 -10.911 1.00 1.00 C ATOM 839 C VAL P 50 7.051 0.998 -12.186 1.00 1.00 C ATOM 840 O VAL P 50 7.655 1.092 -13.253 1.00 1.00 O ATOM 841 CB VAL P 50 7.460 -0.864 -10.543 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.654 -1.765 -11.768 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.409 -1.321 -9.425 1.00 1.00 C ATOM 0 H VAL P 50 6.873 1.033 -9.069 1.00 1.00 H new ATOM 0 HA VAL P 50 8.850 0.673 -11.063 1.00 1.00 H new ATOM 0 HB VAL P 50 6.426 -0.934 -10.204 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.430 -2.797 -11.500 1.00 1.00 H new ATOM 0 HG12 VAL P 50 6.984 -1.444 -12.566 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.686 -1.695 -12.111 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.189 -2.356 -9.161 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.440 -1.246 -9.770 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.272 -0.686 -8.549 1.00 1.00 H new ATOM 853 N MET P 51 5.750 1.238 -12.059 1.00 1.00 N ATOM 854 CA MET P 51 4.927 1.635 -13.193 1.00 1.00 C ATOM 855 C MET P 51 5.360 3.009 -13.717 1.00 1.00 C ATOM 856 O MET P 51 5.249 3.278 -14.913 1.00 1.00 O ATOM 857 CB MET P 51 3.451 1.690 -12.768 1.00 1.00 C ATOM 858 CG MET P 51 2.874 0.275 -12.662 1.00 1.00 C ATOM 859 SD MET P 51 2.744 -0.459 -14.319 1.00 1.00 S ATOM 860 CE MET P 51 3.944 -1.801 -14.116 1.00 1.00 C ATOM 0 H MET P 51 5.242 1.164 -11.177 1.00 1.00 H new ATOM 0 HA MET P 51 5.053 0.900 -13.988 1.00 1.00 H new ATOM 0 HB2 MET P 51 3.361 2.199 -11.809 1.00 1.00 H new ATOM 0 HB3 MET P 51 2.879 2.270 -13.492 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.512 -0.342 -12.029 1.00 1.00 H new ATOM 0 HG3 MET P 51 1.892 0.307 -12.190 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.154 -2.251 -15.086 1.00 1.00 H new ATOM 0 HE2 MET P 51 4.867 -1.403 -13.693 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.534 -2.557 -13.446 1.00 1.00 H new ATOM 870 N LEU P 52 5.849 3.886 -12.832 1.00 1.00 N ATOM 871 CA LEU P 52 6.270 5.212 -13.285 1.00 1.00 C ATOM 872 C LEU P 52 7.401 5.099 -14.303 1.00 1.00 C ATOM 873 O LEU P 52 7.437 5.850 -15.279 1.00 1.00 O ATOM 874 CB LEU P 52 6.682 6.107 -12.095 1.00 1.00 C ATOM 875 CG LEU P 52 5.445 6.776 -11.446 1.00 1.00 C ATOM 876 CD1 LEU P 52 5.856 7.402 -10.105 1.00 1.00 C ATOM 877 CD2 LEU P 52 4.861 7.876 -12.382 1.00 1.00 C ATOM 0 H LEU P 52 5.960 3.710 -11.834 1.00 1.00 H new ATOM 0 HA LEU P 52 5.418 5.686 -13.773 1.00 1.00 H new ATOM 0 HB2 LEU P 52 7.208 5.509 -11.351 1.00 1.00 H new ATOM 0 HB3 LEU P 52 7.377 6.874 -12.436 1.00 1.00 H new ATOM 0 HG LEU P 52 4.678 6.019 -11.283 1.00 1.00 H new ATOM 0 HD11 LEU P 52 4.989 7.875 -9.643 1.00 1.00 H new ATOM 0 HD12 LEU P 52 6.241 6.626 -9.444 1.00 1.00 H new ATOM 0 HD13 LEU P 52 6.630 8.151 -10.275 1.00 1.00 H new ATOM 0 HD21 LEU P 52 3.993 8.334 -11.908 1.00 1.00 H new ATOM 0 HD22 LEU P 52 5.619 8.638 -12.565 1.00 1.00 H new ATOM 0 HD23 LEU P 52 4.562 7.427 -13.329 1.00 1.00 H new ATOM 889 N LEU P 53 8.328 4.170 -14.082 1.00 1.00 N ATOM 890 CA LEU P 53 9.458 3.980 -14.997 1.00 1.00 C ATOM 891 C LEU P 53 9.157 2.854 -15.982 1.00 1.00 C ATOM 892 O LEU P 53 9.941 1.919 -16.046 1.00 1.00 O ATOM 893 CB LEU P 53 10.721 3.638 -14.199 1.00 1.00 C ATOM 894 CG LEU P 53 10.979 4.717 -13.137 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.222 4.341 -12.327 1.00 1.00 C ATOM 896 CD2 LEU P 53 11.194 6.090 -13.812 1.00 1.00 C ATOM 897 OXT LEU P 53 8.148 2.944 -16.659 1.00 1.00 O ATOM 0 H LEU P 53 8.322 3.538 -13.282 1.00 1.00 H new ATOM 0 HA LEU P 53 9.618 4.904 -15.552 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.607 2.665 -13.721 1.00 1.00 H new ATOM 0 HB3 LEU P 53 11.577 3.565 -14.870 1.00 1.00 H new ATOM 0 HG LEU P 53 10.115 4.783 -12.476 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.409 5.104 -11.572 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.061 3.380 -11.839 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.082 4.271 -12.992 1.00 1.00 H new ATOM 0 HD21 LEU P 53 11.376 6.846 -13.048 1.00 1.00 H new ATOM 0 HD22 LEU P 53 12.053 6.036 -14.481 1.00 1.00 H new ATOM 0 HD23 LEU P 53 10.305 6.358 -14.383 1.00 1.00 H new