USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.817 K(o=-13,f=-21!) USER MOD Set 1.2: A 26 GLN : amide:sc= -4.06! C(o=-13!,f=-13!) USER MOD Set 1.3: A 55 GLN : amide:sc= -8.12! C(o=-13!,f=-13!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.658 X(o=-1.2,f=-0.93) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.574 X(o=-1.2,f=-1.3) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.62 F(o=-6.7!,f=-2.8) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.23 K(o=-2.8,f=-9.2!) USER MOD Single : A 1 VAL N :NH3+ 178:sc= -0.989 (180deg=-1.01) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.33) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -2.65 (180deg=-4.74!) USER MOD Single : A 17 MET CE :methyl 174:sc= -10.1! (180deg=-10.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.493 K(o=-0.49,f=-7.9!) USER MOD Single : A 33 SER OG : rot 67:sc= 0.962 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -87:sc= -0.0216 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.925 (180deg=-0.975) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0.467 (180deg=-0.0338) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.577 -10.915 15.439 1.00 0.00 N ATOM 2 CA VAL A 1 -0.334 -11.742 15.443 1.00 0.00 C ATOM 3 C VAL A 1 -0.602 -13.059 14.716 1.00 0.00 C ATOM 4 O VAL A 1 0.243 -13.543 13.960 1.00 0.00 O ATOM 5 CB VAL A 1 0.117 -12.011 16.893 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.596 -10.703 17.538 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.046 -12.590 17.720 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.408 -10.032 15.962 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.842 -10.691 14.459 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.348 -11.445 15.893 1.00 0.00 H new ATOM 0 HA VAL A 1 0.463 -11.205 14.929 1.00 0.00 H new ATOM 0 HB VAL A 1 0.933 -12.733 16.874 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.914 -10.897 18.562 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.434 -10.302 16.968 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.219 -9.980 17.542 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.710 -12.774 18.741 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.873 -11.880 17.732 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.379 -13.527 17.273 1.00 0.00 H new ATOM 19 N ASP A 2 -1.790 -13.621 14.947 1.00 0.00 N ATOM 20 CA ASP A 2 -2.188 -14.879 14.315 1.00 0.00 C ATOM 21 C ASP A 2 -2.220 -14.730 12.793 1.00 0.00 C ATOM 22 O ASP A 2 -1.907 -15.670 12.059 1.00 0.00 O ATOM 23 CB ASP A 2 -3.578 -15.291 14.823 1.00 0.00 C ATOM 24 CG ASP A 2 -4.643 -14.289 14.355 1.00 0.00 C ATOM 25 OD1 ASP A 2 -4.532 -13.123 14.703 1.00 0.00 O ATOM 26 OD2 ASP A 2 -5.546 -14.702 13.648 1.00 0.00 O ATOM 0 H ASP A 2 -2.494 -13.223 15.569 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.459 -15.647 14.574 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.824 -16.288 14.458 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.573 -15.342 15.912 1.00 0.00 H new ATOM 31 N ASN A 3 -2.602 -13.537 12.339 1.00 0.00 N ATOM 32 CA ASN A 3 -2.684 -13.243 10.912 1.00 0.00 C ATOM 33 C ASN A 3 -1.367 -12.658 10.411 1.00 0.00 C ATOM 34 O ASN A 3 -0.737 -11.847 11.094 1.00 0.00 O ATOM 35 CB ASN A 3 -3.820 -12.244 10.658 1.00 0.00 C ATOM 36 CG ASN A 3 -5.146 -12.821 11.149 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.517 -13.934 10.776 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.881 -12.131 11.975 1.00 0.00 N ATOM 0 H ASN A 3 -2.860 -12.757 12.943 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.883 -14.170 10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.611 -11.305 11.171 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.885 -12.018 9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.764 -12.513 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.573 -11.209 12.284 1.00 0.00 H new ATOM 45 N LYS A 4 -0.962 -13.076 9.209 1.00 0.00 N ATOM 46 CA LYS A 4 0.283 -12.594 8.606 1.00 0.00 C ATOM 47 C LYS A 4 0.068 -11.247 7.929 1.00 0.00 C ATOM 48 O LYS A 4 0.963 -10.725 7.256 1.00 0.00 O ATOM 49 CB LYS A 4 0.804 -13.607 7.577 1.00 0.00 C ATOM 50 CG LYS A 4 1.089 -14.950 8.264 1.00 0.00 C ATOM 51 CD LYS A 4 1.719 -15.922 7.259 1.00 0.00 C ATOM 52 CE LYS A 4 1.893 -17.299 7.909 1.00 0.00 C ATOM 53 NZ LYS A 4 2.537 -18.228 6.937 1.00 0.00 N ATOM 0 H LYS A 4 -1.476 -13.745 8.636 1.00 0.00 H new ATOM 0 HA LYS A 4 1.020 -12.476 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.069 -13.743 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.712 -13.228 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.760 -14.801 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.165 -15.370 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.088 -16.004 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.685 -15.541 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.504 -17.214 8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.925 -17.692 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.656 -19.163 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.937 -18.317 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.468 -17.853 6.663 1.00 0.00 H new ATOM 67 N PHE A 5 -1.132 -10.702 8.104 1.00 0.00 N ATOM 68 CA PHE A 5 -1.500 -9.427 7.505 1.00 0.00 C ATOM 69 C PHE A 5 -0.510 -8.330 7.851 1.00 0.00 C ATOM 70 O PHE A 5 0.015 -7.667 6.968 1.00 0.00 O ATOM 71 CB PHE A 5 -2.835 -8.962 8.077 1.00 0.00 C ATOM 72 CG PHE A 5 -4.016 -9.632 7.422 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.012 -11.010 7.161 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.138 -8.857 7.095 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.132 -11.604 6.567 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.252 -9.450 6.505 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.252 -10.820 6.240 1.00 0.00 C ATOM 0 H PHE A 5 -1.871 -11.130 8.662 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.532 -9.588 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.856 -9.164 9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.921 -7.882 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.150 -11.609 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.139 -7.797 7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.135 -12.664 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.114 -8.850 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.115 -11.280 5.782 1.00 0.00 H new ATOM 87 N ASN A 6 -0.309 -8.122 9.152 1.00 0.00 N ATOM 88 CA ASN A 6 0.567 -7.059 9.625 1.00 0.00 C ATOM 89 C ASN A 6 1.954 -7.161 9.022 1.00 0.00 C ATOM 90 O ASN A 6 2.480 -6.175 8.530 1.00 0.00 O ATOM 91 CB ASN A 6 0.685 -7.127 11.145 1.00 0.00 C ATOM 92 CG ASN A 6 -0.692 -6.999 11.795 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.499 -6.162 11.390 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.010 -7.787 12.784 1.00 0.00 N ATOM 0 H ASN A 6 -0.741 -8.675 9.892 1.00 0.00 H new ATOM 0 HA ASN A 6 0.127 -6.111 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.146 -8.070 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.337 -6.330 11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.928 -7.710 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.341 -8.480 13.119 1.00 0.00 H new ATOM 101 N LYS A 7 2.523 -8.359 9.040 1.00 0.00 N ATOM 102 CA LYS A 7 3.847 -8.583 8.482 1.00 0.00 C ATOM 103 C LYS A 7 3.862 -8.222 7.003 1.00 0.00 C ATOM 104 O LYS A 7 4.790 -7.568 6.531 1.00 0.00 O ATOM 105 CB LYS A 7 4.224 -10.045 8.716 1.00 0.00 C ATOM 106 CG LYS A 7 5.674 -10.323 8.280 1.00 0.00 C ATOM 107 CD LYS A 7 5.734 -10.641 6.781 1.00 0.00 C ATOM 108 CE LYS A 7 4.852 -11.854 6.445 1.00 0.00 C ATOM 109 NZ LYS A 7 3.606 -11.393 5.768 1.00 0.00 N ATOM 0 H LYS A 7 2.086 -9.191 9.436 1.00 0.00 H new ATOM 0 HA LYS A 7 4.584 -7.946 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.106 -10.289 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.544 -10.692 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.298 -9.457 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.078 -11.159 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.403 -9.775 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.764 -10.843 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.395 -12.544 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.603 -12.399 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.282 -12.124 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.868 -11.221 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.798 -10.513 5.249 1.00 0.00 H new ATOM 123 N GLU A 8 2.813 -8.619 6.292 1.00 0.00 N ATOM 124 CA GLU A 8 2.698 -8.312 4.871 1.00 0.00 C ATOM 125 C GLU A 8 2.444 -6.820 4.695 1.00 0.00 C ATOM 126 O GLU A 8 2.918 -6.193 3.748 1.00 0.00 O ATOM 127 CB GLU A 8 1.519 -9.109 4.295 1.00 0.00 C ATOM 128 CG GLU A 8 1.862 -9.642 2.905 1.00 0.00 C ATOM 129 CD GLU A 8 2.745 -10.885 3.023 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.204 -11.953 3.266 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.950 -10.751 2.877 1.00 0.00 O ATOM 0 H GLU A 8 2.032 -9.152 6.674 1.00 0.00 H new ATOM 0 HA GLU A 8 3.618 -8.580 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.274 -9.938 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.635 -8.473 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.947 -9.886 2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.377 -8.873 2.329 1.00 0.00 H new ATOM 138 N ARG A 9 1.676 -6.284 5.635 1.00 0.00 N ATOM 139 CA ARG A 9 1.302 -4.889 5.658 1.00 0.00 C ATOM 140 C ARG A 9 2.462 -3.985 6.017 1.00 0.00 C ATOM 141 O ARG A 9 2.520 -2.879 5.532 1.00 0.00 O ATOM 142 CB ARG A 9 0.143 -4.675 6.633 1.00 0.00 C ATOM 143 CG ARG A 9 -1.156 -5.155 5.976 1.00 0.00 C ATOM 144 CD ARG A 9 -2.258 -5.310 7.018 1.00 0.00 C ATOM 145 NE ARG A 9 -2.571 -4.013 7.618 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.783 -3.483 7.533 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.113 -2.778 6.490 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.642 -3.664 8.496 1.00 0.00 N ATOM 0 H ARG A 9 1.293 -6.821 6.413 1.00 0.00 H new ATOM 0 HA ARG A 9 0.988 -4.620 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.322 -5.224 7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.064 -3.621 6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.468 -4.443 5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.986 -6.107 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.151 -5.729 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.942 -6.010 7.791 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.839 -3.504 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.439 -2.633 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.046 -2.370 6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.382 -4.213 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.575 -3.256 8.431 1.00 0.00 H new ATOM 162 N VAL A 10 3.373 -4.447 6.874 1.00 0.00 N ATOM 163 CA VAL A 10 4.514 -3.616 7.278 1.00 0.00 C ATOM 164 C VAL A 10 5.338 -3.324 6.059 1.00 0.00 C ATOM 165 O VAL A 10 5.759 -2.197 5.794 1.00 0.00 O ATOM 166 CB VAL A 10 5.463 -4.321 8.262 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.521 -3.305 8.742 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.709 -4.903 9.462 1.00 0.00 C ATOM 0 H VAL A 10 3.348 -5.375 7.297 1.00 0.00 H new ATOM 0 HA VAL A 10 4.098 -2.729 7.757 1.00 0.00 H new ATOM 0 HB VAL A 10 5.942 -5.154 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.202 -3.791 9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.084 -2.934 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.025 -2.471 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.415 -5.392 10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.198 -4.101 9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.976 -5.631 9.113 1.00 0.00 H new ATOM 178 N ILE A 11 5.572 -4.392 5.343 1.00 0.00 N ATOM 179 CA ILE A 11 6.349 -4.344 4.150 1.00 0.00 C ATOM 180 C ILE A 11 5.653 -3.461 3.134 1.00 0.00 C ATOM 181 O ILE A 11 6.251 -2.562 2.561 1.00 0.00 O ATOM 182 CB ILE A 11 6.443 -5.774 3.614 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.112 -6.682 4.664 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.239 -5.804 2.310 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.895 -8.149 4.277 1.00 0.00 C ATOM 0 H ILE A 11 5.223 -5.321 5.579 1.00 0.00 H new ATOM 0 HA ILE A 11 7.342 -3.938 4.343 1.00 0.00 H new ATOM 0 HB ILE A 11 5.436 -6.141 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.178 -6.464 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.691 -6.488 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.296 -6.828 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.744 -5.179 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.246 -5.426 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.367 -8.794 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.827 -8.361 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.337 -8.336 3.298 1.00 0.00 H new ATOM 197 N ALA A 12 4.376 -3.753 2.942 1.00 0.00 N ATOM 198 CA ALA A 12 3.541 -3.046 1.987 1.00 0.00 C ATOM 199 C ALA A 12 3.247 -1.605 2.374 1.00 0.00 C ATOM 200 O ALA A 12 3.391 -0.707 1.547 1.00 0.00 O ATOM 201 CB ALA A 12 2.246 -3.805 1.876 1.00 0.00 C ATOM 0 H ALA A 12 3.888 -4.492 3.448 1.00 0.00 H new ATOM 0 HA ALA A 12 4.081 -2.997 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.590 -3.303 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.447 -4.819 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.762 -3.843 2.852 1.00 0.00 H new ATOM 207 N ILE A 13 2.852 -1.378 3.621 1.00 0.00 N ATOM 208 CA ILE A 13 2.574 -0.035 4.077 1.00 0.00 C ATOM 209 C ILE A 13 3.851 0.764 3.938 1.00 0.00 C ATOM 210 O ILE A 13 3.842 1.920 3.557 1.00 0.00 O ATOM 211 CB ILE A 13 2.106 -0.039 5.546 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.563 1.358 5.899 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.276 -0.417 6.479 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.981 1.769 7.311 1.00 0.00 C ATOM 0 H ILE A 13 2.720 -2.105 4.324 1.00 0.00 H new ATOM 0 HA ILE A 13 1.774 0.405 3.482 1.00 0.00 H new ATOM 0 HB ILE A 13 1.317 -0.779 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.933 2.088 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.476 1.359 5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.932 -0.416 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.642 -1.410 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.082 0.308 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.584 2.759 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.589 1.050 8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.069 1.791 7.377 1.00 0.00 H new ATOM 226 N GLY A 14 4.951 0.088 4.228 1.00 0.00 N ATOM 227 CA GLY A 14 6.254 0.676 4.134 1.00 0.00 C ATOM 228 C GLY A 14 6.548 1.017 2.678 1.00 0.00 C ATOM 229 O GLY A 14 7.154 2.052 2.389 1.00 0.00 O ATOM 0 H GLY A 14 4.953 -0.885 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.305 1.575 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.006 -0.014 4.517 1.00 0.00 H new ATOM 233 N GLU A 15 6.092 0.148 1.753 1.00 0.00 N ATOM 234 CA GLU A 15 6.302 0.398 0.333 1.00 0.00 C ATOM 235 C GLU A 15 5.407 1.537 -0.148 1.00 0.00 C ATOM 236 O GLU A 15 5.844 2.427 -0.875 1.00 0.00 O ATOM 237 CB GLU A 15 5.918 -0.844 -0.497 1.00 0.00 C ATOM 238 CG GLU A 15 6.857 -2.043 -0.275 1.00 0.00 C ATOM 239 CD GLU A 15 8.261 -1.595 0.147 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.008 -1.171 -0.719 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.567 -1.682 1.325 1.00 0.00 O ATOM 0 H GLU A 15 5.588 -0.712 1.968 1.00 0.00 H new ATOM 0 HA GLU A 15 7.355 0.646 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.899 -1.139 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.922 -0.580 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.438 -2.696 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.922 -2.628 -1.192 1.00 0.00 H new ATOM 248 N ILE A 16 4.139 1.464 0.240 1.00 0.00 N ATOM 249 CA ILE A 16 3.147 2.446 -0.160 1.00 0.00 C ATOM 250 C ILE A 16 3.341 3.809 0.511 1.00 0.00 C ATOM 251 O ILE A 16 3.152 4.851 -0.116 1.00 0.00 O ATOM 252 CB ILE A 16 1.755 1.845 0.056 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.561 0.825 -1.071 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.629 2.902 0.007 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.415 -0.114 -0.759 1.00 0.00 C ATOM 0 H ILE A 16 3.774 0.724 0.839 1.00 0.00 H new ATOM 0 HA ILE A 16 3.270 2.668 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 16 1.696 1.396 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.365 1.346 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.478 0.252 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.333 2.416 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.794 3.646 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.631 3.391 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.298 -0.828 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.626 -0.650 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.505 0.460 -0.644 1.00 0.00 H new ATOM 267 N MET A 17 3.712 3.797 1.779 1.00 0.00 N ATOM 268 CA MET A 17 3.932 5.039 2.518 1.00 0.00 C ATOM 269 C MET A 17 5.138 5.795 1.948 1.00 0.00 C ATOM 270 O MET A 17 5.272 7.004 2.142 1.00 0.00 O ATOM 271 CB MET A 17 4.125 4.737 4.011 1.00 0.00 C ATOM 272 CG MET A 17 2.780 4.317 4.628 1.00 0.00 C ATOM 273 SD MET A 17 1.635 5.716 4.704 1.00 0.00 S ATOM 274 CE MET A 17 0.101 4.741 4.668 1.00 0.00 C ATOM 0 H MET A 17 3.868 2.947 2.321 1.00 0.00 H new ATOM 0 HA MET A 17 3.055 5.676 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.860 3.943 4.140 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.513 5.617 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.340 3.514 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.944 3.922 5.631 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.754 5.402 4.814 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.011 4.239 3.705 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.124 3.997 5.464 1.00 0.00 H new ATOM 284 N ARG A 18 6.001 5.067 1.228 1.00 0.00 N ATOM 285 CA ARG A 18 7.187 5.648 0.607 1.00 0.00 C ATOM 286 C ARG A 18 6.792 6.554 -0.557 1.00 0.00 C ATOM 287 O ARG A 18 7.453 7.561 -0.827 1.00 0.00 O ATOM 288 CB ARG A 18 8.080 4.507 0.113 1.00 0.00 C ATOM 289 CG ARG A 18 9.308 5.046 -0.625 1.00 0.00 C ATOM 290 CD ARG A 18 10.096 3.867 -1.191 1.00 0.00 C ATOM 291 NE ARG A 18 10.661 3.064 -0.106 1.00 0.00 N ATOM 292 CZ ARG A 18 10.380 1.771 0.021 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.967 0.898 -0.746 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.519 1.375 0.915 1.00 0.00 N ATOM 0 H ARG A 18 5.894 4.066 1.063 1.00 0.00 H new ATOM 0 HA ARG A 18 7.725 6.255 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.399 3.899 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.510 3.857 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.002 5.716 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.932 5.627 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.444 3.249 -1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.895 4.232 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 18 11.285 3.507 0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.643 1.206 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.751 -0.094 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.060 2.057 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.304 0.383 1.012 1.00 0.00 H new ATOM 308 N LEU A 19 5.722 6.160 -1.247 1.00 0.00 N ATOM 309 CA LEU A 19 5.210 6.882 -2.406 1.00 0.00 C ATOM 310 C LEU A 19 5.146 8.397 -2.154 1.00 0.00 C ATOM 311 O LEU A 19 4.308 8.871 -1.384 1.00 0.00 O ATOM 312 CB LEU A 19 3.831 6.317 -2.747 1.00 0.00 C ATOM 313 CG LEU A 19 3.942 4.783 -2.868 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.570 4.149 -3.116 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.906 4.446 -4.007 1.00 0.00 C ATOM 0 H LEU A 19 5.184 5.325 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 19 5.888 6.744 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.111 6.584 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.468 6.745 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 19 4.324 4.376 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.678 3.067 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.904 4.386 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.150 4.542 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.993 3.364 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.527 4.863 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.886 4.871 -3.792 1.00 0.00 H new ATOM 327 N PRO A 20 6.045 9.152 -2.766 1.00 0.00 N ATOM 328 CA PRO A 20 6.131 10.633 -2.585 1.00 0.00 C ATOM 329 C PRO A 20 5.039 11.425 -3.306 1.00 0.00 C ATOM 330 O PRO A 20 4.888 12.622 -3.050 1.00 0.00 O ATOM 331 CB PRO A 20 7.499 11.022 -3.177 1.00 0.00 C ATOM 332 CG PRO A 20 8.133 9.773 -3.702 1.00 0.00 C ATOM 333 CD PRO A 20 7.079 8.671 -3.699 1.00 0.00 C ATOM 0 HA PRO A 20 6.005 10.872 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.377 11.755 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.130 11.481 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.513 9.934 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.984 9.488 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.670 8.510 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.499 7.721 -3.370 1.00 0.00 H new ATOM 341 N ASN A 21 4.308 10.792 -4.231 1.00 0.00 N ATOM 342 CA ASN A 21 3.285 11.531 -4.983 1.00 0.00 C ATOM 343 C ASN A 21 1.920 11.437 -4.319 1.00 0.00 C ATOM 344 O ASN A 21 1.370 12.447 -3.874 1.00 0.00 O ATOM 345 CB ASN A 21 3.223 11.040 -6.442 1.00 0.00 C ATOM 346 CG ASN A 21 4.616 11.146 -7.068 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.046 10.204 -7.851 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.329 12.123 -6.839 1.00 0.00 N flip ATOM 0 H ASN A 21 4.399 9.805 -4.472 1.00 0.00 H new ATOM 0 HA ASN A 21 3.572 12.582 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.873 10.008 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.510 11.638 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.995 12.865 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.254 12.190 -7.264 1.00 0.00 H new ATOM 355 N LEU A 22 1.383 10.226 -4.266 1.00 0.00 N ATOM 356 CA LEU A 22 0.064 9.964 -3.675 1.00 0.00 C ATOM 357 C LEU A 22 -0.220 10.813 -2.448 1.00 0.00 C ATOM 358 O LEU A 22 0.680 11.109 -1.657 1.00 0.00 O ATOM 359 CB LEU A 22 -0.007 8.509 -3.244 1.00 0.00 C ATOM 360 CG LEU A 22 0.131 7.609 -4.460 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.659 6.257 -4.011 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.234 7.437 -5.115 1.00 0.00 C ATOM 0 H LEU A 22 1.844 9.392 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.673 10.209 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.785 8.293 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.954 8.314 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 22 0.821 8.052 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.762 5.601 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.631 6.386 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.037 5.812 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.140 6.792 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.925 6.985 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.615 8.411 -5.423 1.00 0.00 H new ATOM 374 N ASN A 23 -1.498 11.134 -2.263 1.00 0.00 N ATOM 375 CA ASN A 23 -1.913 11.879 -1.088 1.00 0.00 C ATOM 376 C ASN A 23 -2.143 10.867 0.008 1.00 0.00 C ATOM 377 O ASN A 23 -2.265 9.673 -0.272 1.00 0.00 O ATOM 378 CB ASN A 23 -3.181 12.701 -1.364 1.00 0.00 C ATOM 379 CG ASN A 23 -4.183 11.895 -2.182 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.659 10.857 -1.732 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.527 12.316 -3.368 1.00 0.00 N ATOM 0 H ASN A 23 -2.252 10.892 -2.905 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.147 12.597 -0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.635 13.004 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.919 13.614 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.194 11.782 -3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.129 13.179 -3.738 1.00 0.00 H new ATOM 388 N SER A 24 -2.173 11.320 1.248 1.00 0.00 N ATOM 389 CA SER A 24 -2.350 10.398 2.354 1.00 0.00 C ATOM 390 C SER A 24 -3.542 9.486 2.135 1.00 0.00 C ATOM 391 O SER A 24 -3.495 8.335 2.497 1.00 0.00 O ATOM 392 CB SER A 24 -2.535 11.148 3.658 1.00 0.00 C ATOM 393 OG SER A 24 -3.656 12.018 3.558 1.00 0.00 O ATOM 0 H SER A 24 -2.079 12.301 1.512 1.00 0.00 H new ATOM 0 HA SER A 24 -1.447 9.790 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.682 10.443 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.637 11.721 3.889 1.00 0.00 H new ATOM 0 HG SER A 24 -3.773 12.499 4.404 1.00 0.00 H new ATOM 399 N LEU A 25 -4.602 9.998 1.536 1.00 0.00 N ATOM 400 CA LEU A 25 -5.788 9.187 1.302 1.00 0.00 C ATOM 401 C LEU A 25 -5.481 8.024 0.403 1.00 0.00 C ATOM 402 O LEU A 25 -5.835 6.905 0.724 1.00 0.00 O ATOM 403 CB LEU A 25 -6.866 10.019 0.639 1.00 0.00 C ATOM 404 CG LEU A 25 -7.147 11.295 1.440 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.143 12.404 1.087 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.543 11.772 1.075 1.00 0.00 C ATOM 0 H LEU A 25 -4.669 10.961 1.205 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.128 8.820 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.557 10.281 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.780 9.432 0.551 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.059 11.078 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.367 13.297 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.132 12.066 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.217 12.637 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.774 12.681 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.589 11.978 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.269 10.999 1.327 1.00 0.00 H new ATOM 418 N GLN A 26 -4.811 8.291 -0.709 1.00 0.00 N ATOM 419 CA GLN A 26 -4.449 7.238 -1.627 1.00 0.00 C ATOM 420 C GLN A 26 -3.469 6.316 -0.957 1.00 0.00 C ATOM 421 O GLN A 26 -3.603 5.103 -1.001 1.00 0.00 O ATOM 422 CB GLN A 26 -3.824 7.834 -2.851 1.00 0.00 C ATOM 423 CG GLN A 26 -4.928 8.513 -3.659 1.00 0.00 C ATOM 424 CD GLN A 26 -4.366 9.531 -4.630 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.283 10.084 -4.420 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.054 9.815 -5.691 1.00 0.00 N ATOM 0 H GLN A 26 -4.512 9.225 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.339 6.679 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.055 8.555 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.337 7.061 -3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.493 7.760 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.626 9.004 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.948 9.354 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.701 10.500 -6.359 1.00 0.00 H new ATOM 435 N VAL A 27 -2.514 6.936 -0.288 1.00 0.00 N ATOM 436 CA VAL A 27 -1.501 6.224 0.453 1.00 0.00 C ATOM 437 C VAL A 27 -2.191 5.330 1.472 1.00 0.00 C ATOM 438 O VAL A 27 -1.842 4.166 1.651 1.00 0.00 O ATOM 439 CB VAL A 27 -0.626 7.283 1.156 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.186 6.692 2.300 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.336 7.918 0.145 1.00 0.00 C ATOM 0 H VAL A 27 -2.423 7.951 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.881 5.601 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.301 8.033 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.785 7.476 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.488 6.264 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.843 5.912 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.951 8.665 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.978 7.147 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.236 8.395 -0.651 1.00 0.00 H new ATOM 451 N VAL A 28 -3.197 5.905 2.103 1.00 0.00 N ATOM 452 CA VAL A 28 -4.003 5.198 3.087 1.00 0.00 C ATOM 453 C VAL A 28 -4.919 4.193 2.425 1.00 0.00 C ATOM 454 O VAL A 28 -5.194 3.122 2.962 1.00 0.00 O ATOM 455 CB VAL A 28 -4.753 6.162 3.984 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.555 5.356 5.010 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.707 7.007 4.714 1.00 0.00 C ATOM 0 H VAL A 28 -3.480 6.873 1.950 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.329 4.634 3.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.431 6.793 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.100 6.038 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.261 4.708 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.875 4.748 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.208 7.717 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.062 6.357 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.105 7.550 3.985 1.00 0.00 H new ATOM 467 N ALA A 29 -5.388 4.571 1.249 1.00 0.00 N ATOM 468 CA ALA A 29 -6.276 3.745 0.463 1.00 0.00 C ATOM 469 C ALA A 29 -5.629 2.411 0.279 1.00 0.00 C ATOM 470 O ALA A 29 -6.276 1.363 0.295 1.00 0.00 O ATOM 471 CB ALA A 29 -6.435 4.381 -0.901 1.00 0.00 C ATOM 0 H ALA A 29 -5.160 5.465 0.814 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.243 3.644 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.103 3.772 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.856 5.380 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.461 4.449 -1.386 1.00 0.00 H new ATOM 477 N PHE A 30 -4.323 2.476 0.131 1.00 0.00 N ATOM 478 CA PHE A 30 -3.544 1.318 -0.020 1.00 0.00 C ATOM 479 C PHE A 30 -3.454 0.595 1.281 1.00 0.00 C ATOM 480 O PHE A 30 -3.543 -0.624 1.288 1.00 0.00 O ATOM 481 CB PHE A 30 -2.181 1.707 -0.492 1.00 0.00 C ATOM 482 CG PHE A 30 -2.250 1.904 -1.965 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.435 0.804 -2.800 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.168 3.181 -2.489 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.547 0.993 -4.168 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.277 3.380 -3.844 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.477 2.285 -4.701 1.00 0.00 C ATOM 0 H PHE A 30 -3.793 3.347 0.115 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.005 0.656 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.853 2.622 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.455 0.933 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.491 -0.191 -2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.018 4.024 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.688 0.145 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.209 4.378 -4.250 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.576 2.439 -5.765 1.00 0.00 H new ATOM 497 N ILE A 31 -3.326 1.344 2.396 1.00 0.00 N ATOM 498 CA ILE A 31 -3.273 0.670 3.688 1.00 0.00 C ATOM 499 C ILE A 31 -4.537 -0.163 3.794 1.00 0.00 C ATOM 500 O ILE A 31 -4.533 -1.296 4.280 1.00 0.00 O ATOM 501 CB ILE A 31 -3.291 1.637 4.880 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.131 2.622 4.823 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.181 0.835 6.188 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.326 3.659 5.941 1.00 0.00 C ATOM 0 H ILE A 31 -3.261 2.362 2.422 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.346 0.098 3.730 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.226 2.195 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.183 2.100 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.097 3.113 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.193 1.519 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.023 0.147 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.249 0.270 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.505 4.376 5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.270 4.183 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.341 3.154 6.907 1.00 0.00 H new ATOM 516 N ASN A 32 -5.618 0.446 3.311 1.00 0.00 N ATOM 517 CA ASN A 32 -6.924 -0.180 3.317 1.00 0.00 C ATOM 518 C ASN A 32 -6.982 -1.381 2.379 1.00 0.00 C ATOM 519 O ASN A 32 -7.618 -2.383 2.696 1.00 0.00 O ATOM 520 CB ASN A 32 -7.965 0.867 2.918 1.00 0.00 C ATOM 521 CG ASN A 32 -8.363 1.706 4.128 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.037 1.218 5.032 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.978 2.950 4.198 1.00 0.00 N ATOM 0 H ASN A 32 -5.606 1.383 2.908 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.132 -0.555 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.562 1.511 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.845 0.375 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.236 3.519 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.418 3.354 3.447 1.00 0.00 H new ATOM 530 N SER A 33 -6.318 -1.287 1.230 1.00 0.00 N ATOM 531 CA SER A 33 -6.316 -2.386 0.285 1.00 0.00 C ATOM 532 C SER A 33 -5.577 -3.594 0.861 1.00 0.00 C ATOM 533 O SER A 33 -5.933 -4.738 0.578 1.00 0.00 O ATOM 534 CB SER A 33 -5.661 -1.942 -1.013 1.00 0.00 C ATOM 535 OG SER A 33 -6.287 -0.754 -1.479 1.00 0.00 O ATOM 0 H SER A 33 -5.782 -0.469 0.938 1.00 0.00 H new ATOM 0 HA SER A 33 -7.347 -2.680 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.597 -1.767 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.746 -2.728 -1.763 1.00 0.00 H new ATOM 0 HG SER A 33 -6.099 -0.020 -0.858 1.00 0.00 H new ATOM 541 N LEU A 34 -4.533 -3.326 1.657 1.00 0.00 N ATOM 542 CA LEU A 34 -3.734 -4.419 2.255 1.00 0.00 C ATOM 543 C LEU A 34 -4.610 -5.329 3.112 1.00 0.00 C ATOM 544 O LEU A 34 -4.536 -6.547 3.010 1.00 0.00 O ATOM 545 CB LEU A 34 -2.607 -3.898 3.172 1.00 0.00 C ATOM 546 CG LEU A 34 -1.909 -2.655 2.610 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.637 -2.362 3.406 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.534 -2.853 1.145 1.00 0.00 C ATOM 0 H LEU A 34 -4.222 -2.386 1.902 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.303 -4.958 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.022 -3.664 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.870 -4.688 3.318 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.603 -1.819 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.149 -1.477 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.894 -2.186 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.040 -3.214 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.040 -1.956 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.858 -3.704 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.435 -3.041 0.561 1.00 0.00 H new ATOM 560 N ARG A 35 -5.435 -4.726 3.960 1.00 0.00 N ATOM 561 CA ARG A 35 -6.327 -5.500 4.828 1.00 0.00 C ATOM 562 C ARG A 35 -7.450 -6.112 4.016 1.00 0.00 C ATOM 563 O ARG A 35 -7.880 -7.239 4.278 1.00 0.00 O ATOM 564 CB ARG A 35 -6.878 -4.637 5.961 1.00 0.00 C ATOM 565 CG ARG A 35 -7.596 -3.402 5.409 1.00 0.00 C ATOM 566 CD ARG A 35 -8.049 -2.506 6.567 1.00 0.00 C ATOM 567 NE ARG A 35 -8.866 -1.401 6.067 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.981 -1.619 5.376 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.045 -2.070 5.975 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.006 -1.386 4.098 1.00 0.00 N ATOM 0 H ARG A 35 -5.508 -3.714 4.068 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.750 -6.306 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.569 -5.223 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.064 -4.327 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.930 -2.848 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.457 -3.706 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.620 -3.092 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.179 -2.114 7.094 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.574 -0.441 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.025 -2.257 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.899 -2.236 5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.171 -1.037 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.860 -1.552 3.566 1.00 0.00 H new ATOM 584 N ASP A 36 -7.888 -5.374 3.002 1.00 0.00 N ATOM 585 CA ASP A 36 -8.923 -5.850 2.108 1.00 0.00 C ATOM 586 C ASP A 36 -8.378 -7.039 1.336 1.00 0.00 C ATOM 587 O ASP A 36 -9.134 -7.851 0.799 1.00 0.00 O ATOM 588 CB ASP A 36 -9.340 -4.726 1.143 1.00 0.00 C ATOM 589 CG ASP A 36 -10.070 -3.594 1.884 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.617 -3.842 2.949 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.077 -2.489 1.365 1.00 0.00 O ATOM 0 H ASP A 36 -7.538 -4.442 2.783 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.803 -6.153 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.457 -4.326 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.988 -5.132 0.367 1.00 0.00 H new ATOM 596 N ASP A 37 -7.041 -7.122 1.295 1.00 0.00 N ATOM 597 CA ASP A 37 -6.361 -8.202 0.591 1.00 0.00 C ATOM 598 C ASP A 37 -4.846 -8.173 0.867 1.00 0.00 C ATOM 599 O ASP A 37 -4.100 -7.460 0.189 1.00 0.00 O ATOM 600 CB ASP A 37 -6.616 -8.064 -0.917 1.00 0.00 C ATOM 601 CG ASP A 37 -6.319 -9.383 -1.637 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.299 -9.989 -1.341 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.114 -9.767 -2.476 1.00 0.00 O ATOM 0 H ASP A 37 -6.415 -6.452 1.742 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.754 -9.153 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.652 -7.774 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.990 -7.271 -1.326 1.00 0.00 H new ATOM 608 N PRO A 38 -4.376 -8.934 1.840 1.00 0.00 N ATOM 609 CA PRO A 38 -2.924 -8.988 2.185 1.00 0.00 C ATOM 610 C PRO A 38 -2.118 -9.683 1.091 1.00 0.00 C ATOM 611 O PRO A 38 -0.956 -9.358 0.863 1.00 0.00 O ATOM 612 CB PRO A 38 -2.848 -9.776 3.497 1.00 0.00 C ATOM 613 CG PRO A 38 -4.247 -10.134 3.876 1.00 0.00 C ATOM 614 CD PRO A 38 -5.168 -9.820 2.698 1.00 0.00 C ATOM 0 HA PRO A 38 -2.501 -7.988 2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.241 -10.673 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.378 -9.179 4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.310 -11.191 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.556 -9.572 4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.460 -10.727 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.086 -9.335 3.030 1.00 0.00 H new ATOM 622 N SER A 39 -2.759 -10.631 0.404 1.00 0.00 N ATOM 623 CA SER A 39 -2.112 -11.350 -0.685 1.00 0.00 C ATOM 624 C SER A 39 -1.763 -10.365 -1.787 1.00 0.00 C ATOM 625 O SER A 39 -0.767 -10.528 -2.496 1.00 0.00 O ATOM 626 CB SER A 39 -3.036 -12.443 -1.230 1.00 0.00 C ATOM 627 OG SER A 39 -2.307 -13.270 -2.129 1.00 0.00 O ATOM 0 H SER A 39 -3.722 -10.915 0.585 1.00 0.00 H new ATOM 0 HA SER A 39 -1.204 -11.826 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.435 -13.040 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.888 -11.994 -1.740 1.00 0.00 H new ATOM 0 HG SER A 39 -2.895 -13.972 -2.478 1.00 0.00 H new ATOM 633 N GLN A 40 -2.600 -9.333 -1.907 1.00 0.00 N ATOM 634 CA GLN A 40 -2.398 -8.300 -2.904 1.00 0.00 C ATOM 635 C GLN A 40 -1.550 -7.164 -2.346 1.00 0.00 C ATOM 636 O GLN A 40 -1.322 -6.177 -3.031 1.00 0.00 O ATOM 637 CB GLN A 40 -3.746 -7.754 -3.389 1.00 0.00 C ATOM 638 CG GLN A 40 -4.482 -8.826 -4.204 1.00 0.00 C ATOM 639 CD GLN A 40 -3.853 -8.962 -5.587 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.157 -9.940 -5.862 1.00 0.00 O ATOM 641 NE2 GLN A 40 -4.051 -8.031 -6.480 1.00 0.00 N ATOM 0 H GLN A 40 -3.424 -9.197 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.870 -8.745 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.354 -7.452 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.589 -6.865 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.440 -9.782 -3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.535 -8.561 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.627 -7.221 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.629 -8.114 -7.405 1.00 0.00 H new ATOM 650 N SER A 41 -1.051 -7.316 -1.116 1.00 0.00 N ATOM 651 CA SER A 41 -0.201 -6.289 -0.515 1.00 0.00 C ATOM 652 C SER A 41 0.941 -6.004 -1.476 1.00 0.00 C ATOM 653 O SER A 41 1.402 -4.882 -1.589 1.00 0.00 O ATOM 654 CB SER A 41 0.347 -6.762 0.841 1.00 0.00 C ATOM 655 OG SER A 41 1.284 -7.808 0.624 1.00 0.00 O ATOM 0 H SER A 41 -1.219 -8.130 -0.525 1.00 0.00 H new ATOM 0 HA SER A 41 -0.781 -5.383 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.823 -5.933 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.468 -7.112 1.474 1.00 0.00 H new ATOM 0 HG SER A 41 0.813 -8.667 0.590 1.00 0.00 H new ATOM 661 N ALA A 42 1.346 -7.063 -2.173 1.00 0.00 N ATOM 662 CA ALA A 42 2.406 -7.024 -3.172 1.00 0.00 C ATOM 663 C ALA A 42 1.971 -6.272 -4.428 1.00 0.00 C ATOM 664 O ALA A 42 2.739 -5.541 -5.048 1.00 0.00 O ATOM 665 CB ALA A 42 2.718 -8.453 -3.588 1.00 0.00 C ATOM 0 H ALA A 42 0.937 -7.990 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 42 3.267 -6.518 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.510 -8.449 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.044 -9.022 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.824 -8.913 -4.008 1.00 0.00 H new ATOM 671 N ASN A 43 0.733 -6.509 -4.805 1.00 0.00 N ATOM 672 CA ASN A 43 0.136 -5.908 -5.978 1.00 0.00 C ATOM 673 C ASN A 43 -0.166 -4.450 -5.751 1.00 0.00 C ATOM 674 O ASN A 43 -0.154 -3.631 -6.663 1.00 0.00 O ATOM 675 CB ASN A 43 -1.178 -6.600 -6.209 1.00 0.00 C ATOM 676 CG ASN A 43 -0.964 -7.978 -6.824 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.463 -8.884 -6.158 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.321 -8.195 -8.059 1.00 0.00 N ATOM 0 H ASN A 43 0.105 -7.133 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 43 0.824 -6.004 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.714 -6.698 -5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.801 -5.996 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.185 -9.117 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.736 -7.443 -8.610 1.00 0.00 H new ATOM 685 N LEU A 44 -0.547 -4.185 -4.526 1.00 0.00 N ATOM 686 CA LEU A 44 -0.985 -2.876 -4.123 1.00 0.00 C ATOM 687 C LEU A 44 0.091 -1.833 -4.208 1.00 0.00 C ATOM 688 O LEU A 44 -0.181 -0.752 -4.704 1.00 0.00 O ATOM 689 CB LEU A 44 -1.593 -2.984 -2.742 1.00 0.00 C ATOM 690 CG LEU A 44 -2.899 -3.772 -2.903 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.369 -4.350 -1.572 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.955 -2.848 -3.484 1.00 0.00 C ATOM 0 H LEU A 44 -0.561 -4.877 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.741 -2.526 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.914 -3.493 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.785 -1.996 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.727 -4.612 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.297 -4.902 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.607 -5.022 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.540 -3.540 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.890 -3.395 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.111 -2.005 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.622 -2.480 -4.455 1.00 0.00 H new ATOM 704 N LEU A 45 1.317 -2.142 -3.808 1.00 0.00 N ATOM 705 CA LEU A 45 2.367 -1.127 -3.985 1.00 0.00 C ATOM 706 C LEU A 45 2.577 -1.006 -5.470 1.00 0.00 C ATOM 707 O LEU A 45 2.889 0.043 -5.969 1.00 0.00 O ATOM 708 CB LEU A 45 3.751 -1.341 -3.312 1.00 0.00 C ATOM 709 CG LEU A 45 3.828 -2.565 -2.423 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.778 -2.483 -1.320 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.662 -3.803 -3.292 1.00 0.00 C ATOM 0 H LEU A 45 1.606 -3.024 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 45 1.992 -0.242 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.511 -1.422 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.994 -0.459 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 45 4.797 -2.620 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.844 -3.369 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.953 -1.593 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.785 -2.429 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.715 -4.695 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.695 -3.768 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.457 -3.834 -4.037 1.00 0.00 H new ATOM 723 N ALA A 46 2.383 -2.122 -6.167 1.00 0.00 N ATOM 724 CA ALA A 46 2.527 -2.146 -7.614 1.00 0.00 C ATOM 725 C ALA A 46 1.525 -1.173 -8.200 1.00 0.00 C ATOM 726 O ALA A 46 1.845 -0.360 -9.066 1.00 0.00 O ATOM 727 CB ALA A 46 2.221 -3.544 -8.137 1.00 0.00 C ATOM 0 H ALA A 46 2.126 -3.018 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 46 3.544 -1.872 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.330 -3.559 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.914 -4.258 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.200 -3.816 -7.871 1.00 0.00 H new ATOM 733 N GLU A 47 0.316 -1.247 -7.654 1.00 0.00 N ATOM 734 CA GLU A 47 -0.766 -0.376 -8.030 1.00 0.00 C ATOM 735 C GLU A 47 -0.406 1.032 -7.617 1.00 0.00 C ATOM 736 O GLU A 47 -0.489 1.974 -8.389 1.00 0.00 O ATOM 737 CB GLU A 47 -2.001 -0.820 -7.250 1.00 0.00 C ATOM 738 CG GLU A 47 -2.873 -1.747 -8.096 1.00 0.00 C ATOM 739 CD GLU A 47 -3.664 -2.691 -7.188 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.113 -3.712 -6.805 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.802 -2.376 -6.884 1.00 0.00 O ATOM 0 H GLU A 47 0.068 -1.923 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.952 -0.413 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.696 -1.333 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.578 0.053 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.557 -1.159 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.250 -2.323 -8.779 1.00 0.00 H new ATOM 748 N ALA A 48 0.007 1.120 -6.370 1.00 0.00 N ATOM 749 CA ALA A 48 0.406 2.367 -5.749 1.00 0.00 C ATOM 750 C ALA A 48 1.537 3.016 -6.513 1.00 0.00 C ATOM 751 O ALA A 48 1.488 4.199 -6.810 1.00 0.00 O ATOM 752 CB ALA A 48 0.839 2.090 -4.322 1.00 0.00 C ATOM 0 H ALA A 48 0.076 0.314 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.441 3.053 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.141 3.023 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.008 1.653 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.679 1.395 -4.325 1.00 0.00 H new ATOM 758 N LYS A 49 2.535 2.221 -6.860 1.00 0.00 N ATOM 759 CA LYS A 49 3.652 2.722 -7.641 1.00 0.00 C ATOM 760 C LYS A 49 3.104 3.216 -8.969 1.00 0.00 C ATOM 761 O LYS A 49 3.556 4.227 -9.500 1.00 0.00 O ATOM 762 CB LYS A 49 4.701 1.621 -7.861 1.00 0.00 C ATOM 763 CG LYS A 49 5.477 1.374 -6.556 1.00 0.00 C ATOM 764 CD LYS A 49 6.460 0.212 -6.748 1.00 0.00 C ATOM 765 CE LYS A 49 7.045 -0.206 -5.391 1.00 0.00 C ATOM 766 NZ LYS A 49 8.348 -0.897 -5.603 1.00 0.00 N ATOM 0 H LYS A 49 2.595 1.233 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 49 4.146 3.536 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.214 0.701 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.389 1.914 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.017 2.276 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.783 1.145 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.951 -0.634 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.262 0.510 -7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.185 0.670 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.351 -0.867 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.744 -1.180 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.201 -1.742 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.009 -0.252 -6.081 1.00 0.00 H new ATOM 780 N LYS A 50 2.078 2.512 -9.471 1.00 0.00 N ATOM 781 CA LYS A 50 1.425 2.908 -10.709 1.00 0.00 C ATOM 782 C LYS A 50 0.645 4.195 -10.473 1.00 0.00 C ATOM 783 O LYS A 50 0.629 5.074 -11.316 1.00 0.00 O ATOM 784 CB LYS A 50 0.476 1.798 -11.198 1.00 0.00 C ATOM 785 CG LYS A 50 1.006 1.181 -12.502 1.00 0.00 C ATOM 786 CD LYS A 50 2.049 0.095 -12.189 1.00 0.00 C ATOM 787 CE LYS A 50 1.349 -1.242 -11.908 1.00 0.00 C ATOM 788 NZ LYS A 50 2.287 -2.154 -11.194 1.00 0.00 N ATOM 0 H LYS A 50 1.692 1.674 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 50 2.182 3.073 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.383 1.026 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.521 2.208 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.182 0.751 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.453 1.956 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.735 -0.014 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.646 0.391 -11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.456 -1.077 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.023 -1.698 -12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.807 -3.054 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.119 -2.334 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.590 -1.712 -10.303 1.00 0.00 H new ATOM 802 N LEU A 51 0.018 4.279 -9.298 1.00 0.00 N ATOM 803 CA LEU A 51 -0.769 5.445 -8.902 1.00 0.00 C ATOM 804 C LEU A 51 0.137 6.645 -8.699 1.00 0.00 C ATOM 805 O LEU A 51 -0.161 7.762 -9.121 1.00 0.00 O ATOM 806 CB LEU A 51 -1.433 5.168 -7.553 1.00 0.00 C ATOM 807 CG LEU A 51 -2.847 4.584 -7.663 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.830 5.685 -8.092 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.881 3.377 -8.625 1.00 0.00 C ATOM 0 H LEU A 51 0.042 3.540 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.504 5.642 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.808 4.477 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.478 6.097 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.154 4.213 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.834 5.267 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.826 6.485 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.528 6.085 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.897 2.985 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.558 3.693 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.212 2.599 -8.257 1.00 0.00 H new ATOM 821 N ASN A 52 1.242 6.373 -8.018 1.00 0.00 N ATOM 822 CA ASN A 52 2.230 7.373 -7.691 1.00 0.00 C ATOM 823 C ASN A 52 2.791 7.953 -8.967 1.00 0.00 C ATOM 824 O ASN A 52 2.872 9.171 -9.141 1.00 0.00 O ATOM 825 CB ASN A 52 3.335 6.682 -6.872 1.00 0.00 C ATOM 826 CG ASN A 52 4.364 7.677 -6.356 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.116 8.379 -5.380 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.520 7.764 -6.952 1.00 0.00 N ATOM 0 H ASN A 52 1.473 5.440 -7.677 1.00 0.00 H new ATOM 0 HA ASN A 52 1.795 8.187 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.887 6.154 -6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.831 5.934 -7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.223 8.418 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.721 7.178 -7.763 1.00 0.00 H new ATOM 835 N ASP A 53 3.154 7.049 -9.857 1.00 0.00 N ATOM 836 CA ASP A 53 3.696 7.406 -11.140 1.00 0.00 C ATOM 837 C ASP A 53 2.632 7.996 -12.066 1.00 0.00 C ATOM 838 O ASP A 53 2.919 8.887 -12.867 1.00 0.00 O ATOM 839 CB ASP A 53 4.308 6.160 -11.792 1.00 0.00 C ATOM 840 CG ASP A 53 5.496 5.622 -10.975 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.997 6.333 -10.114 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.885 4.493 -11.224 1.00 0.00 O ATOM 0 H ASP A 53 3.078 6.044 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 53 4.458 8.169 -10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.547 5.385 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.639 6.402 -12.802 1.00 0.00 H new ATOM 847 N ALA A 54 1.419 7.447 -11.982 1.00 0.00 N ATOM 848 CA ALA A 54 0.322 7.871 -12.857 1.00 0.00 C ATOM 849 C ALA A 54 -0.252 9.228 -12.508 1.00 0.00 C ATOM 850 O ALA A 54 -0.604 10.001 -13.403 1.00 0.00 O ATOM 851 CB ALA A 54 -0.812 6.871 -12.741 1.00 0.00 C ATOM 0 H ALA A 54 1.171 6.711 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 54 0.742 7.929 -13.861 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.634 7.177 -13.388 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.460 5.885 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.158 6.832 -11.708 1.00 0.00 H new ATOM 857 N GLN A 55 -0.386 9.506 -11.219 1.00 0.00 N ATOM 858 CA GLN A 55 -0.967 10.761 -10.801 1.00 0.00 C ATOM 859 C GLN A 55 0.076 11.841 -10.739 1.00 0.00 C ATOM 860 O GLN A 55 -0.149 12.968 -11.184 1.00 0.00 O ATOM 861 CB GLN A 55 -1.551 10.588 -9.418 1.00 0.00 C ATOM 862 CG GLN A 55 -2.709 9.597 -9.444 1.00 0.00 C ATOM 863 CD GLN A 55 -3.178 9.361 -8.022 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.085 8.567 -7.792 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.618 10.026 -7.045 1.00 0.00 N ATOM 0 H GLN A 55 -0.103 8.886 -10.460 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.734 11.047 -11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.780 10.236 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.897 11.550 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.526 9.986 -10.052 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.393 8.658 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.865 10.685 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.935 9.886 -6.086 1.00 0.00 H new ATOM 874 N ALA A 56 1.200 11.476 -10.136 1.00 0.00 N ATOM 875 CA ALA A 56 2.306 12.410 -9.935 1.00 0.00 C ATOM 876 C ALA A 56 1.759 13.792 -9.510 1.00 0.00 C ATOM 877 O ALA A 56 2.134 14.815 -10.088 1.00 0.00 O ATOM 878 CB ALA A 56 3.131 12.523 -11.220 1.00 0.00 C ATOM 0 H ALA A 56 1.372 10.537 -9.776 1.00 0.00 H new ATOM 0 HA ALA A 56 2.953 12.038 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.954 13.221 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.531 11.544 -11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.497 12.885 -12.029 1.00 0.00 H new ATOM 884 N PRO A 57 0.862 13.827 -8.522 1.00 0.00 N ATOM 885 CA PRO A 57 0.212 15.063 -7.996 1.00 0.00 C ATOM 886 C PRO A 57 1.105 16.297 -8.068 1.00 0.00 C ATOM 887 O PRO A 57 2.211 16.304 -7.526 1.00 0.00 O ATOM 888 CB PRO A 57 -0.120 14.696 -6.531 1.00 0.00 C ATOM 889 CG PRO A 57 0.355 13.288 -6.367 1.00 0.00 C ATOM 890 CD PRO A 57 0.335 12.707 -7.763 1.00 0.00 C ATOM 0 HA PRO A 57 -0.660 15.340 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.382 15.366 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.189 14.777 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.357 13.256 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.295 12.727 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.958 11.817 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.669 12.426 -8.081 1.00 0.00 H new ATOM 898 N LYS A 58 0.590 17.324 -8.744 1.00 0.00 N ATOM 899 CA LYS A 58 1.294 18.605 -8.927 1.00 0.00 C ATOM 900 C LYS A 58 2.486 18.450 -9.881 1.00 0.00 C ATOM 901 O LYS A 58 3.366 17.654 -9.591 1.00 0.00 O ATOM 902 CB LYS A 58 1.771 19.171 -7.575 1.00 0.00 C ATOM 903 CG LYS A 58 0.575 19.318 -6.622 1.00 0.00 C ATOM 904 CD LYS A 58 1.075 19.554 -5.189 1.00 0.00 C ATOM 905 CE LYS A 58 1.106 18.224 -4.423 1.00 0.00 C ATOM 906 NZ LYS A 58 2.235 17.387 -4.918 1.00 0.00 N ATOM 907 OXT LYS A 58 2.500 19.133 -10.891 1.00 0.00 O ATOM 0 H LYS A 58 -0.330 17.296 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 58 0.586 19.307 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.518 18.509 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.250 20.139 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.054 20.150 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.042 18.420 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.071 19.995 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.423 20.263 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.220 18.411 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.162 17.695 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.426 16.624 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.983 16.974 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.084 17.978 -5.024 1.00 0.00 H new TER 921 LYS A 58