USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 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 40 GLN : amide:sc= -0.138 X(o=0.35,f=0.056) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.483 X(o=0.35,f=-0.14) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -2.18 F(o=-5.5!,f=-4.1) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.95 K(o=-4.1,f=-11!) USER MOD Single : A 1 VAL N :NH3+ -143:sc= -0.0768 (180deg=-0.782) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -120:sc= 1.01 (180deg=-0.629) USER MOD Single : A 6 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.24) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.573 (180deg=-1.61!) USER MOD Single : A 17 MET CE :methyl 171:sc= -10.2! (180deg=-10.4!) USER MOD Single : A 23 ASN : amide:sc= -0.293 K(o=-0.29,f=-10!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.249 F(o=-1.2,f=-0.25) USER MOD Single : A 32 ASN : amide:sc= -0.416 K(o=-0.42,f=-8.1!) USER MOD Single : A 33 SER OG : rot 66:sc= 1.04 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.58! USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 0.467 (180deg=0.0968) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.226) USER MOD Single : A 55 GLN : amide:sc= -3.36! C(o=-3.4!,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0146) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.661 -12.934 15.404 1.00 0.00 N ATOM 2 CA VAL A 1 0.204 -12.805 15.109 1.00 0.00 C ATOM 3 C VAL A 1 -0.229 -13.967 14.217 1.00 0.00 C ATOM 4 O VAL A 1 0.493 -14.356 13.296 1.00 0.00 O ATOM 5 CB VAL A 1 -0.060 -11.461 14.403 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.569 -11.274 14.173 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.468 -10.308 15.271 1.00 0.00 C ATOM 0 H1 VAL A 1 1.845 -12.632 16.382 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.952 -13.926 15.288 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.202 -12.335 14.748 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.369 -12.833 16.036 1.00 0.00 H new ATOM 0 HB VAL A 1 0.453 -11.461 13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.746 -10.321 13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.945 -12.086 13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.087 -11.282 15.132 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.280 -9.359 14.769 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.041 -10.316 16.235 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.540 -10.430 15.426 1.00 0.00 H new ATOM 19 N ASP A 2 -1.417 -14.507 14.495 1.00 0.00 N ATOM 20 CA ASP A 2 -1.961 -15.623 13.717 1.00 0.00 C ATOM 21 C ASP A 2 -2.108 -15.225 12.248 1.00 0.00 C ATOM 22 O ASP A 2 -1.891 -16.039 11.347 1.00 0.00 O ATOM 23 CB ASP A 2 -3.329 -16.034 14.283 1.00 0.00 C ATOM 24 CG ASP A 2 -4.363 -14.925 14.054 1.00 0.00 C ATOM 25 OD1 ASP A 2 -4.155 -13.827 14.549 1.00 0.00 O ATOM 26 OD2 ASP A 2 -5.346 -15.190 13.382 1.00 0.00 O ATOM 0 H ASP A 2 -2.021 -14.190 15.253 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.274 -16.466 13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.664 -16.955 13.806 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.240 -16.241 15.349 1.00 0.00 H new ATOM 31 N ASN A 3 -2.469 -13.962 12.028 1.00 0.00 N ATOM 32 CA ASN A 3 -2.643 -13.432 10.681 1.00 0.00 C ATOM 33 C ASN A 3 -1.322 -12.868 10.172 1.00 0.00 C ATOM 34 O ASN A 3 -0.652 -12.103 10.872 1.00 0.00 O ATOM 35 CB ASN A 3 -3.704 -12.325 10.690 1.00 0.00 C ATOM 36 CG ASN A 3 -5.010 -12.852 11.278 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.515 -12.307 12.259 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.592 -13.886 10.734 1.00 0.00 N ATOM 0 H ASN A 3 -2.647 -13.286 12.770 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.968 -14.237 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.350 -11.476 11.275 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.873 -11.965 9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.465 -14.242 11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.173 -14.338 9.921 1.00 0.00 H new ATOM 45 N LYS A 4 -0.954 -13.251 8.950 1.00 0.00 N ATOM 46 CA LYS A 4 0.293 -12.782 8.343 1.00 0.00 C ATOM 47 C LYS A 4 0.094 -11.419 7.695 1.00 0.00 C ATOM 48 O LYS A 4 0.987 -10.898 7.019 1.00 0.00 O ATOM 49 CB LYS A 4 0.793 -13.789 7.296 1.00 0.00 C ATOM 50 CG LYS A 4 0.903 -15.195 7.916 1.00 0.00 C ATOM 51 CD LYS A 4 2.008 -15.224 8.990 1.00 0.00 C ATOM 52 CE LYS A 4 1.391 -15.395 10.385 1.00 0.00 C ATOM 53 NZ LYS A 4 0.719 -16.724 10.479 1.00 0.00 N ATOM 0 H LYS A 4 -1.498 -13.882 8.362 1.00 0.00 H new ATOM 0 HA LYS A 4 1.041 -12.690 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.110 -13.811 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.765 -13.475 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.051 -15.480 8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.124 -15.926 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.699 -16.042 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.586 -14.301 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.165 -15.314 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.671 -14.599 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.291 -16.588 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.823 -17.230 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.156 -17.281 11.241 1.00 0.00 H new ATOM 67 N PHE A 5 -1.094 -10.859 7.902 1.00 0.00 N ATOM 68 CA PHE A 5 -1.450 -9.567 7.338 1.00 0.00 C ATOM 69 C PHE A 5 -0.441 -8.492 7.694 1.00 0.00 C ATOM 70 O PHE A 5 0.087 -7.818 6.824 1.00 0.00 O ATOM 71 CB PHE A 5 -2.758 -9.087 7.955 1.00 0.00 C ATOM 72 CG PHE A 5 -3.973 -9.709 7.320 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.026 -11.087 7.064 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.071 -8.893 7.016 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.180 -11.638 6.494 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.219 -9.443 6.453 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.276 -10.812 6.190 1.00 0.00 C ATOM 0 H PHE A 5 -1.831 -11.287 8.462 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.504 -9.709 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.755 -9.315 9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.821 -8.003 7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.183 -11.718 7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.026 -7.833 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.228 -12.697 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.064 -8.812 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.166 -11.239 5.751 1.00 0.00 H new ATOM 87 N ASN A 6 -0.232 -8.314 8.997 1.00 0.00 N ATOM 88 CA ASN A 6 0.651 -7.268 9.490 1.00 0.00 C ATOM 89 C ASN A 6 2.034 -7.348 8.879 1.00 0.00 C ATOM 90 O ASN A 6 2.551 -6.347 8.416 1.00 0.00 O ATOM 91 CB ASN A 6 0.780 -7.379 11.004 1.00 0.00 C ATOM 92 CG ASN A 6 -0.593 -7.280 11.668 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.392 -6.408 11.323 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.919 -8.130 12.601 1.00 0.00 N ATOM 0 H ASN A 6 -0.663 -8.882 9.727 1.00 0.00 H new ATOM 0 HA ASN A 6 0.209 -6.313 9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.250 -8.327 11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.429 -6.588 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.835 -8.073 13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.258 -8.852 12.887 1.00 0.00 H new ATOM 101 N LYS A 7 2.611 -8.541 8.863 1.00 0.00 N ATOM 102 CA LYS A 7 3.937 -8.733 8.299 1.00 0.00 C ATOM 103 C LYS A 7 3.960 -8.308 6.840 1.00 0.00 C ATOM 104 O LYS A 7 4.883 -7.619 6.407 1.00 0.00 O ATOM 105 CB LYS A 7 4.317 -10.202 8.462 1.00 0.00 C ATOM 106 CG LYS A 7 5.784 -10.449 8.061 1.00 0.00 C ATOM 107 CD LYS A 7 5.902 -10.672 6.547 1.00 0.00 C ATOM 108 CE LYS A 7 5.069 -11.886 6.104 1.00 0.00 C ATOM 109 NZ LYS A 7 3.900 -11.421 5.302 1.00 0.00 N ATOM 0 H LYS A 7 2.182 -9.389 9.234 1.00 0.00 H new ATOM 0 HA LYS A 7 4.666 -8.114 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.165 -10.506 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.661 -10.820 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.396 -9.597 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.170 -11.318 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.564 -9.781 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.947 -10.826 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.683 -12.565 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.727 -12.443 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.589 -12.184 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.121 -11.164 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.174 -10.591 4.738 1.00 0.00 H new ATOM 123 N GLU A 8 2.928 -8.691 6.098 1.00 0.00 N ATOM 124 CA GLU A 8 2.835 -8.324 4.692 1.00 0.00 C ATOM 125 C GLU A 8 2.525 -6.837 4.572 1.00 0.00 C ATOM 126 O GLU A 8 3.006 -6.152 3.670 1.00 0.00 O ATOM 127 CB GLU A 8 1.728 -9.158 4.042 1.00 0.00 C ATOM 128 CG GLU A 8 1.770 -8.994 2.520 1.00 0.00 C ATOM 129 CD GLU A 8 3.041 -9.612 1.919 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.550 -10.576 2.478 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.490 -9.107 0.903 1.00 0.00 O ATOM 0 H GLU A 8 2.149 -9.252 6.444 1.00 0.00 H new ATOM 0 HA GLU A 8 3.780 -8.520 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.851 -10.208 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.756 -8.845 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.892 -9.465 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.725 -7.935 2.266 1.00 0.00 H new ATOM 138 N ARG A 9 1.713 -6.366 5.509 1.00 0.00 N ATOM 139 CA ARG A 9 1.295 -4.985 5.575 1.00 0.00 C ATOM 140 C ARG A 9 2.436 -4.064 5.964 1.00 0.00 C ATOM 141 O ARG A 9 2.465 -2.939 5.519 1.00 0.00 O ATOM 142 CB ARG A 9 0.118 -4.833 6.546 1.00 0.00 C ATOM 143 CG ARG A 9 -1.150 -5.382 5.874 1.00 0.00 C ATOM 144 CD ARG A 9 -2.314 -5.459 6.868 1.00 0.00 C ATOM 145 NE ARG A 9 -3.057 -4.200 6.895 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.479 -3.059 7.253 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.115 -2.870 8.489 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.274 -2.129 6.365 1.00 0.00 N ATOM 0 H ARG A 9 1.324 -6.947 6.252 1.00 0.00 H new ATOM 0 HA ARG A 9 0.971 -4.690 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.319 -5.373 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.019 -3.785 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.426 -4.743 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.949 -6.373 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.982 -6.275 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.933 -5.683 7.864 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.043 -4.198 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.274 -3.599 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.671 -1.993 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.557 -2.277 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.830 -1.252 6.638 1.00 0.00 H new ATOM 162 N VAL A 10 3.364 -4.539 6.801 1.00 0.00 N ATOM 163 CA VAL A 10 4.493 -3.700 7.227 1.00 0.00 C ATOM 164 C VAL A 10 5.306 -3.354 6.011 1.00 0.00 C ATOM 165 O VAL A 10 5.678 -2.206 5.763 1.00 0.00 O ATOM 166 CB VAL A 10 5.461 -4.424 8.185 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.501 -3.409 8.699 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.726 -5.066 9.365 1.00 0.00 C ATOM 0 H VAL A 10 3.359 -5.481 7.192 1.00 0.00 H new ATOM 0 HA VAL A 10 4.066 -2.836 7.736 1.00 0.00 H new ATOM 0 HB VAL A 10 5.952 -5.228 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.192 -3.908 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.055 -2.997 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.992 -2.603 9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.446 -5.565 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.201 -4.295 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.007 -5.796 8.992 1.00 0.00 H new ATOM 178 N ILE A 11 5.584 -4.401 5.274 1.00 0.00 N ATOM 179 CA ILE A 11 6.355 -4.312 4.075 1.00 0.00 C ATOM 180 C ILE A 11 5.639 -3.419 3.081 1.00 0.00 C ATOM 181 O ILE A 11 6.227 -2.528 2.482 1.00 0.00 O ATOM 182 CB ILE A 11 6.490 -5.725 3.501 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.176 -6.643 4.531 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.302 -5.694 2.206 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.999 -8.104 4.106 1.00 0.00 C ATOM 0 H ILE A 11 5.274 -5.346 5.499 1.00 0.00 H new ATOM 0 HA ILE A 11 7.339 -3.890 4.279 1.00 0.00 H new ATOM 0 HB ILE A 11 5.496 -6.114 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.236 -6.399 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.745 -6.485 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.391 -6.705 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.799 -5.059 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.296 -5.296 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.484 -8.756 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.937 -8.342 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.451 -8.255 3.126 1.00 0.00 H new ATOM 197 N ALA A 12 4.359 -3.706 2.917 1.00 0.00 N ATOM 198 CA ALA A 12 3.512 -2.993 1.983 1.00 0.00 C ATOM 199 C ALA A 12 3.197 -1.564 2.404 1.00 0.00 C ATOM 200 O ALA A 12 3.322 -0.647 1.598 1.00 0.00 O ATOM 201 CB ALA A 12 2.231 -3.773 1.855 1.00 0.00 C ATOM 0 H ALA A 12 3.878 -4.444 3.431 1.00 0.00 H new ATOM 0 HA ALA A 12 4.047 -2.912 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.564 -3.266 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.450 -4.774 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.749 -3.844 2.830 1.00 0.00 H new ATOM 207 N ILE A 13 2.801 -1.363 3.660 1.00 0.00 N ATOM 208 CA ILE A 13 2.506 -0.027 4.135 1.00 0.00 C ATOM 209 C ILE A 13 3.777 0.785 4.033 1.00 0.00 C ATOM 210 O ILE A 13 3.764 1.944 3.653 1.00 0.00 O ATOM 211 CB ILE A 13 2.008 -0.058 5.592 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.461 1.336 5.962 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.159 -0.461 6.542 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.848 1.714 7.391 1.00 0.00 C ATOM 0 H ILE A 13 2.680 -2.102 4.353 1.00 0.00 H new ATOM 0 HA ILE A 13 1.715 0.418 3.531 1.00 0.00 H new ATOM 0 HB ILE A 13 1.213 -0.797 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.851 2.080 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.376 1.343 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.794 -0.479 7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.526 -1.451 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.970 0.262 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.450 2.701 7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.436 0.982 8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.934 1.729 7.482 1.00 0.00 H new ATOM 226 N GLY A 14 4.878 0.123 4.348 1.00 0.00 N ATOM 227 CA GLY A 14 6.176 0.729 4.284 1.00 0.00 C ATOM 228 C GLY A 14 6.502 1.066 2.834 1.00 0.00 C ATOM 229 O GLY A 14 7.114 2.100 2.553 1.00 0.00 O ATOM 0 H GLY A 14 4.886 -0.850 4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.199 1.632 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.927 0.051 4.690 1.00 0.00 H new ATOM 233 N GLU A 15 6.068 0.190 1.909 1.00 0.00 N ATOM 234 CA GLU A 15 6.308 0.425 0.491 1.00 0.00 C ATOM 235 C GLU A 15 5.432 1.561 -0.021 1.00 0.00 C ATOM 236 O GLU A 15 5.886 2.441 -0.748 1.00 0.00 O ATOM 237 CB GLU A 15 5.927 -0.821 -0.322 1.00 0.00 C ATOM 238 CG GLU A 15 6.927 -1.960 -0.116 1.00 0.00 C ATOM 239 CD GLU A 15 7.839 -2.085 -1.339 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.380 -2.594 -2.350 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.977 -1.656 -1.252 1.00 0.00 O ATOM 0 H GLU A 15 5.560 -0.668 2.121 1.00 0.00 H new ATOM 0 HA GLU A 15 7.364 0.667 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.931 -1.155 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.881 -0.565 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.525 -1.773 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.395 -2.897 0.048 1.00 0.00 H new ATOM 248 N ILE A 16 4.158 1.494 0.345 1.00 0.00 N ATOM 249 CA ILE A 16 3.175 2.472 -0.080 1.00 0.00 C ATOM 250 C ILE A 16 3.360 3.837 0.584 1.00 0.00 C ATOM 251 O ILE A 16 3.171 4.877 -0.047 1.00 0.00 O ATOM 252 CB ILE A 16 1.780 1.876 0.126 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.599 0.834 -0.982 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.656 2.931 0.042 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.445 -0.093 -0.665 1.00 0.00 C ATOM 0 H ILE A 16 3.781 0.759 0.944 1.00 0.00 H new ATOM 0 HA ILE A 16 3.313 2.682 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 16 1.709 1.446 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.418 1.335 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.516 0.255 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.309 2.448 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.809 3.688 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.673 3.403 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.335 -0.824 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.641 -0.610 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.474 0.487 -0.575 1.00 0.00 H new ATOM 267 N MET A 17 3.728 3.830 1.855 1.00 0.00 N ATOM 268 CA MET A 17 3.940 5.074 2.589 1.00 0.00 C ATOM 269 C MET A 17 5.140 5.840 2.009 1.00 0.00 C ATOM 270 O MET A 17 5.266 7.050 2.205 1.00 0.00 O ATOM 271 CB MET A 17 4.133 4.774 4.084 1.00 0.00 C ATOM 272 CG MET A 17 2.779 4.387 4.710 1.00 0.00 C ATOM 273 SD MET A 17 1.651 5.803 4.734 1.00 0.00 S ATOM 274 CE MET A 17 0.101 4.853 4.686 1.00 0.00 C ATOM 0 H MET A 17 3.886 2.983 2.401 1.00 0.00 H new ATOM 0 HA MET A 17 3.060 5.709 2.482 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.850 3.964 4.213 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.544 5.647 4.591 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.332 3.570 4.143 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.934 4.023 5.726 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.742 5.523 4.854 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.003 4.376 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.118 4.090 5.464 1.00 0.00 H new ATOM 284 N ARG A 18 6.002 5.119 1.278 1.00 0.00 N ATOM 285 CA ARG A 18 7.178 5.706 0.642 1.00 0.00 C ATOM 286 C ARG A 18 6.769 6.626 -0.509 1.00 0.00 C ATOM 287 O ARG A 18 7.441 7.617 -0.799 1.00 0.00 O ATOM 288 CB ARG A 18 8.037 4.560 0.097 1.00 0.00 C ATOM 289 CG ARG A 18 9.297 5.087 -0.595 1.00 0.00 C ATOM 290 CD ARG A 18 9.960 3.936 -1.352 1.00 0.00 C ATOM 291 NE ARG A 18 10.258 2.826 -0.446 1.00 0.00 N ATOM 292 CZ ARG A 18 9.955 1.567 -0.763 1.00 0.00 C ATOM 293 NH1 ARG A 18 8.821 1.290 -1.346 1.00 0.00 N ATOM 294 NH2 ARG A 18 10.791 0.609 -0.488 1.00 0.00 N ATOM 0 H ARG A 18 5.900 4.117 1.115 1.00 0.00 H new ATOM 0 HA ARG A 18 7.732 6.299 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.319 3.895 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.453 3.969 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.041 5.893 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.986 5.502 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.303 3.593 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.879 4.285 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 18 10.708 3.020 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.162 2.038 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.594 0.325 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.677 0.821 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.560 -0.355 -0.730 1.00 0.00 H new ATOM 308 N LEU A 19 5.678 6.245 -1.173 1.00 0.00 N ATOM 309 CA LEU A 19 5.154 6.961 -2.329 1.00 0.00 C ATOM 310 C LEU A 19 5.074 8.480 -2.100 1.00 0.00 C ATOM 311 O LEU A 19 4.231 8.960 -1.338 1.00 0.00 O ATOM 312 CB LEU A 19 3.791 6.361 -2.669 1.00 0.00 C ATOM 313 CG LEU A 19 3.960 4.829 -2.801 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.619 4.139 -3.064 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.953 4.531 -3.927 1.00 0.00 C ATOM 0 H LEU A 19 5.130 5.423 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 19 5.837 6.840 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.066 6.598 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.410 6.784 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 19 4.345 4.434 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.774 3.064 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.937 4.341 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.189 4.520 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.078 3.453 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.575 4.940 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.915 4.987 -3.694 1.00 0.00 H new ATOM 327 N PRO A 20 5.970 9.231 -2.729 1.00 0.00 N ATOM 328 CA PRO A 20 6.046 10.718 -2.583 1.00 0.00 C ATOM 329 C PRO A 20 4.959 11.482 -3.339 1.00 0.00 C ATOM 330 O PRO A 20 4.731 12.661 -3.054 1.00 0.00 O ATOM 331 CB PRO A 20 7.407 11.102 -3.192 1.00 0.00 C ATOM 332 CG PRO A 20 8.043 9.850 -3.710 1.00 0.00 C ATOM 333 CD PRO A 20 7.008 8.734 -3.649 1.00 0.00 C ATOM 0 HA PRO A 20 5.916 10.978 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.276 11.825 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.043 11.572 -2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.388 9.994 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.917 9.592 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.594 8.524 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.448 7.806 -3.284 1.00 0.00 H new ATOM 341 N ASN A 21 4.329 10.847 -4.331 1.00 0.00 N ATOM 342 CA ASN A 21 3.324 11.554 -5.135 1.00 0.00 C ATOM 343 C ASN A 21 1.944 11.448 -4.517 1.00 0.00 C ATOM 344 O ASN A 21 1.330 12.459 -4.184 1.00 0.00 O ATOM 345 CB ASN A 21 3.317 11.015 -6.577 1.00 0.00 C ATOM 346 CG ASN A 21 4.740 11.064 -7.139 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.094 10.235 -8.072 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.553 11.888 -6.719 1.00 0.00 N flip ATOM 0 H ASN A 21 4.488 9.874 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 21 3.594 12.610 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.941 9.992 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.647 11.611 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.282 12.543 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.497 11.915 -7.105 1.00 0.00 H new ATOM 355 N LEU A 22 1.473 10.220 -4.371 1.00 0.00 N ATOM 356 CA LEU A 22 0.153 9.948 -3.804 1.00 0.00 C ATOM 357 C LEU A 22 -0.178 10.831 -2.619 1.00 0.00 C ATOM 358 O LEU A 22 0.699 11.219 -1.841 1.00 0.00 O ATOM 359 CB LEU A 22 0.105 8.509 -3.326 1.00 0.00 C ATOM 360 CG LEU A 22 0.220 7.579 -4.519 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.802 6.249 -4.060 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.167 7.366 -5.120 1.00 0.00 C ATOM 0 H LEU A 22 1.990 9.383 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.572 10.147 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.917 8.320 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.827 8.322 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 22 0.875 8.014 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.887 5.576 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.789 6.414 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.147 5.804 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.093 6.698 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.824 6.923 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.576 8.324 -5.440 1.00 0.00 H new ATOM 374 N ASN A 23 -1.470 11.078 -2.456 1.00 0.00 N ATOM 375 CA ASN A 23 -1.951 11.850 -1.329 1.00 0.00 C ATOM 376 C ASN A 23 -2.155 10.877 -0.194 1.00 0.00 C ATOM 377 O ASN A 23 -2.244 9.667 -0.426 1.00 0.00 O ATOM 378 CB ASN A 23 -3.259 12.569 -1.685 1.00 0.00 C ATOM 379 CG ASN A 23 -4.175 11.640 -2.476 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.760 10.723 -1.912 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.322 11.819 -3.760 1.00 0.00 N ATOM 0 H ASN A 23 -2.200 10.754 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.236 12.623 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.761 12.897 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.043 13.463 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.925 11.195 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.834 12.583 -4.228 1.00 0.00 H new ATOM 388 N SER A 24 -2.206 11.380 1.025 1.00 0.00 N ATOM 389 CA SER A 24 -2.369 10.502 2.168 1.00 0.00 C ATOM 390 C SER A 24 -3.548 9.566 1.982 1.00 0.00 C ATOM 391 O SER A 24 -3.492 8.432 2.403 1.00 0.00 O ATOM 392 CB SER A 24 -2.568 11.295 3.444 1.00 0.00 C ATOM 393 OG SER A 24 -3.673 12.179 3.295 1.00 0.00 O ATOM 0 H SER A 24 -2.138 12.373 1.247 1.00 0.00 H new ATOM 0 HA SER A 24 -1.454 9.914 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.742 10.618 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.666 11.862 3.675 1.00 0.00 H new ATOM 0 HG SER A 24 -3.799 12.688 4.123 1.00 0.00 H new ATOM 399 N LEU A 25 -4.607 10.041 1.350 1.00 0.00 N ATOM 400 CA LEU A 25 -5.781 9.211 1.142 1.00 0.00 C ATOM 401 C LEU A 25 -5.447 8.023 0.290 1.00 0.00 C ATOM 402 O LEU A 25 -5.785 6.915 0.650 1.00 0.00 O ATOM 403 CB LEU A 25 -6.872 9.999 0.446 1.00 0.00 C ATOM 404 CG LEU A 25 -7.182 11.295 1.202 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.185 12.404 0.833 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.575 11.743 0.797 1.00 0.00 C ATOM 0 H LEU A 25 -4.679 10.987 0.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.125 8.880 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.563 10.233 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.774 9.392 0.373 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.111 11.112 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.430 13.312 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.175 12.085 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.242 12.603 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.827 12.666 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.603 11.916 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.297 10.969 1.059 1.00 0.00 H new ATOM 418 N GLN A 26 -4.763 8.257 -0.825 1.00 0.00 N ATOM 419 CA GLN A 26 -4.370 7.168 -1.691 1.00 0.00 C ATOM 420 C GLN A 26 -3.398 6.287 -0.961 1.00 0.00 C ATOM 421 O GLN A 26 -3.518 5.071 -0.957 1.00 0.00 O ATOM 422 CB GLN A 26 -3.710 7.694 -2.940 1.00 0.00 C ATOM 423 CG GLN A 26 -4.775 8.251 -3.879 1.00 0.00 C ATOM 424 CD GLN A 26 -5.581 7.110 -4.498 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.007 6.304 -5.347 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.762 6.946 -4.194 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.475 9.183 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.260 6.604 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.991 8.473 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.154 6.897 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.439 8.920 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.304 8.842 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.210 7.577 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.293 6.179 -4.606 1.00 0.00 H new ATOM 435 N VAL A 27 -2.462 6.942 -0.301 1.00 0.00 N ATOM 436 CA VAL A 27 -1.457 6.270 0.483 1.00 0.00 C ATOM 437 C VAL A 27 -2.164 5.396 1.509 1.00 0.00 C ATOM 438 O VAL A 27 -1.815 4.235 1.715 1.00 0.00 O ATOM 439 CB VAL A 27 -0.623 7.367 1.176 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.239 6.810 2.304 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.279 8.062 0.149 1.00 0.00 C ATOM 0 H VAL A 27 -2.382 7.959 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.807 5.639 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.324 8.080 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.808 7.620 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.400 6.346 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.927 6.065 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.865 8.836 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.950 7.330 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.336 8.515 -0.628 1.00 0.00 H new ATOM 451 N VAL A 28 -3.186 5.978 2.107 1.00 0.00 N ATOM 452 CA VAL A 28 -4.012 5.288 3.085 1.00 0.00 C ATOM 453 C VAL A 28 -4.916 4.269 2.422 1.00 0.00 C ATOM 454 O VAL A 28 -5.202 3.208 2.975 1.00 0.00 O ATOM 455 CB VAL A 28 -4.782 6.268 3.945 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.584 5.479 4.983 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.756 7.147 4.662 1.00 0.00 C ATOM 0 H VAL A 28 -3.469 6.942 1.930 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.351 4.735 3.752 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.460 6.876 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.145 6.170 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.276 4.808 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.903 4.896 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.274 7.869 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.110 6.523 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.153 7.677 3.925 1.00 0.00 H new ATOM 467 N ALA A 29 -5.365 4.625 1.231 1.00 0.00 N ATOM 468 CA ALA A 29 -6.244 3.789 0.445 1.00 0.00 C ATOM 469 C ALA A 29 -5.598 2.451 0.294 1.00 0.00 C ATOM 470 O ALA A 29 -6.247 1.406 0.329 1.00 0.00 O ATOM 471 CB ALA A 29 -6.383 4.398 -0.938 1.00 0.00 C ATOM 0 H ALA A 29 -5.126 5.509 0.782 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.218 3.703 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.044 3.778 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.802 5.401 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.403 4.453 -1.411 1.00 0.00 H new ATOM 477 N PHE A 30 -4.292 2.514 0.155 1.00 0.00 N ATOM 478 CA PHE A 30 -3.514 1.353 0.032 1.00 0.00 C ATOM 479 C PHE A 30 -3.430 0.653 1.346 1.00 0.00 C ATOM 480 O PHE A 30 -3.518 -0.564 1.371 1.00 0.00 O ATOM 481 CB PHE A 30 -2.148 1.729 -0.439 1.00 0.00 C ATOM 482 CG PHE A 30 -2.209 1.894 -1.918 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.401 0.781 -2.731 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.113 3.157 -2.468 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.509 0.941 -4.103 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.217 3.329 -3.829 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.424 2.219 -4.663 1.00 0.00 C ATOM 0 H PHE A 30 -3.761 3.385 0.127 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.975 0.679 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.821 2.654 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.425 0.959 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.466 -0.204 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.956 4.012 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.658 0.080 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.139 4.318 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.517 2.352 -5.731 1.00 0.00 H new ATOM 497 N ILE A 31 -3.309 1.418 2.449 1.00 0.00 N ATOM 498 CA ILE A 31 -3.258 0.764 3.754 1.00 0.00 C ATOM 499 C ILE A 31 -4.513 -0.082 3.866 1.00 0.00 C ATOM 500 O ILE A 31 -4.503 -1.201 4.387 1.00 0.00 O ATOM 501 CB ILE A 31 -3.295 1.759 4.925 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.146 2.755 4.852 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.184 0.998 6.256 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.351 3.803 5.955 1.00 0.00 C ATOM 0 H ILE A 31 -3.248 2.436 2.460 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.328 0.199 3.815 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.239 2.300 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.192 2.245 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.119 3.233 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.211 1.707 7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.018 0.302 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.245 0.445 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.539 4.529 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.301 4.314 5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.359 3.311 6.928 1.00 0.00 H new ATOM 516 N ASN A 32 -5.593 0.499 3.350 1.00 0.00 N ATOM 517 CA ASN A 32 -6.894 -0.138 3.354 1.00 0.00 C ATOM 518 C ASN A 32 -6.949 -1.338 2.414 1.00 0.00 C ATOM 519 O ASN A 32 -7.584 -2.342 2.728 1.00 0.00 O ATOM 520 CB ASN A 32 -7.936 0.905 2.950 1.00 0.00 C ATOM 521 CG ASN A 32 -8.360 1.726 4.164 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.059 1.224 5.044 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.970 2.965 4.267 1.00 0.00 N ATOM 0 H ASN A 32 -5.584 1.424 2.919 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.098 -0.518 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.525 1.562 2.183 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.805 0.412 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.244 3.520 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.391 3.380 3.537 1.00 0.00 H new ATOM 530 N SER A 33 -6.293 -1.237 1.265 1.00 0.00 N ATOM 531 CA SER A 33 -6.295 -2.331 0.310 1.00 0.00 C ATOM 532 C SER A 33 -5.555 -3.546 0.867 1.00 0.00 C ATOM 533 O SER A 33 -5.921 -4.686 0.576 1.00 0.00 O ATOM 534 CB SER A 33 -5.646 -1.878 -0.988 1.00 0.00 C ATOM 535 OG SER A 33 -6.261 -0.677 -1.434 1.00 0.00 O ATOM 0 H SER A 33 -5.759 -0.417 0.976 1.00 0.00 H new ATOM 0 HA SER A 33 -7.328 -2.621 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.579 -1.717 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.747 -2.654 -1.747 1.00 0.00 H new ATOM 0 HG SER A 33 -6.065 0.045 -0.801 1.00 0.00 H new ATOM 541 N LEU A 34 -4.499 -3.292 1.649 1.00 0.00 N ATOM 542 CA LEU A 34 -3.697 -4.398 2.220 1.00 0.00 C ATOM 543 C LEU A 34 -4.561 -5.306 3.092 1.00 0.00 C ATOM 544 O LEU A 34 -4.497 -6.527 2.980 1.00 0.00 O ATOM 545 CB LEU A 34 -2.538 -3.901 3.109 1.00 0.00 C ATOM 546 CG LEU A 34 -1.880 -2.625 2.578 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.589 -2.338 3.351 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.544 -2.763 1.093 1.00 0.00 C ATOM 0 H LEU A 34 -4.180 -2.357 1.901 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.295 -4.934 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.913 -3.718 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.785 -4.686 3.187 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.585 -1.804 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.129 -1.428 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.819 -2.208 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.101 -3.173 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.077 -1.844 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.856 -3.597 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.458 -2.947 0.529 1.00 0.00 H new ATOM 560 N ARG A 35 -5.361 -4.700 3.963 1.00 0.00 N ATOM 561 CA ARG A 35 -6.237 -5.471 4.850 1.00 0.00 C ATOM 562 C ARG A 35 -7.385 -6.073 4.063 1.00 0.00 C ATOM 563 O ARG A 35 -7.818 -7.195 4.332 1.00 0.00 O ATOM 564 CB ARG A 35 -6.750 -4.599 5.994 1.00 0.00 C ATOM 565 CG ARG A 35 -7.540 -3.403 5.455 1.00 0.00 C ATOM 566 CD ARG A 35 -7.978 -2.499 6.614 1.00 0.00 C ATOM 567 NE ARG A 35 -8.868 -1.443 6.130 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.967 -1.725 5.435 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.897 -2.472 5.956 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.109 -1.257 4.231 1.00 0.00 N ATOM 0 H ARG A 35 -5.424 -3.688 4.077 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.660 -6.286 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.384 -5.192 6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.910 -4.246 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.926 -2.838 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.414 -3.752 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.487 -3.092 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.103 -2.056 7.089 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.641 -0.469 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.784 -2.843 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.738 -2.686 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.379 -0.675 3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.951 -1.472 3.696 1.00 0.00 H new ATOM 584 N ASP A 36 -7.840 -5.328 3.060 1.00 0.00 N ATOM 585 CA ASP A 36 -8.903 -5.792 2.192 1.00 0.00 C ATOM 586 C ASP A 36 -8.389 -6.979 1.393 1.00 0.00 C ATOM 587 O ASP A 36 -9.166 -7.778 0.869 1.00 0.00 O ATOM 588 CB ASP A 36 -9.342 -4.656 1.248 1.00 0.00 C ATOM 589 CG ASP A 36 -10.061 -3.536 2.019 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.560 -3.793 3.106 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.100 -2.430 1.506 1.00 0.00 O ATOM 0 H ASP A 36 -7.485 -4.399 2.833 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.767 -6.096 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.470 -4.247 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.004 -5.054 0.479 1.00 0.00 H new ATOM 596 N ASP A 37 -7.055 -7.073 1.312 1.00 0.00 N ATOM 597 CA ASP A 37 -6.407 -8.155 0.577 1.00 0.00 C ATOM 598 C ASP A 37 -4.894 -8.177 0.850 1.00 0.00 C ATOM 599 O ASP A 37 -4.132 -7.451 0.203 1.00 0.00 O ATOM 600 CB ASP A 37 -6.660 -7.972 -0.925 1.00 0.00 C ATOM 601 CG ASP A 37 -6.397 -9.281 -1.679 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.408 -9.937 -1.381 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.188 -9.609 -2.547 1.00 0.00 O ATOM 0 H ASP A 37 -6.410 -6.413 1.746 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.828 -9.104 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.689 -7.651 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.014 -7.185 -1.315 1.00 0.00 H new ATOM 608 N PRO A 38 -4.440 -8.996 1.781 1.00 0.00 N ATOM 609 CA PRO A 38 -2.990 -9.102 2.113 1.00 0.00 C ATOM 610 C PRO A 38 -2.202 -9.764 0.990 1.00 0.00 C ATOM 611 O PRO A 38 -1.042 -9.432 0.752 1.00 0.00 O ATOM 612 CB PRO A 38 -2.927 -9.942 3.392 1.00 0.00 C ATOM 613 CG PRO A 38 -4.331 -10.275 3.768 1.00 0.00 C ATOM 614 CD PRO A 38 -5.247 -9.903 2.602 1.00 0.00 C ATOM 0 HA PRO A 38 -2.543 -8.117 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.347 -10.850 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.435 -9.389 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.420 -11.337 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.622 -9.731 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.551 -10.785 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.158 -9.418 2.952 1.00 0.00 H new ATOM 622 N SER A 39 -2.855 -10.695 0.295 1.00 0.00 N ATOM 623 CA SER A 39 -2.231 -11.399 -0.816 1.00 0.00 C ATOM 624 C SER A 39 -1.884 -10.406 -1.911 1.00 0.00 C ATOM 625 O SER A 39 -0.914 -10.591 -2.651 1.00 0.00 O ATOM 626 CB SER A 39 -3.178 -12.469 -1.366 1.00 0.00 C ATOM 627 OG SER A 39 -3.645 -13.279 -0.295 1.00 0.00 O ATOM 0 H SER A 39 -3.817 -10.977 0.485 1.00 0.00 H new ATOM 0 HA SER A 39 -1.322 -11.886 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.019 -11.999 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.662 -13.084 -2.104 1.00 0.00 H new ATOM 0 HG SER A 39 -4.253 -13.964 -0.644 1.00 0.00 H new ATOM 633 N GLN A 40 -2.693 -9.350 -1.999 1.00 0.00 N ATOM 634 CA GLN A 40 -2.485 -8.318 -2.997 1.00 0.00 C ATOM 635 C GLN A 40 -1.686 -7.152 -2.432 1.00 0.00 C ATOM 636 O GLN A 40 -1.444 -6.183 -3.139 1.00 0.00 O ATOM 637 CB GLN A 40 -3.832 -7.818 -3.533 1.00 0.00 C ATOM 638 CG GLN A 40 -4.525 -8.936 -4.321 1.00 0.00 C ATOM 639 CD GLN A 40 -3.771 -9.215 -5.620 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.697 -8.354 -6.496 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.197 -10.373 -5.794 1.00 0.00 N ATOM 0 H GLN A 40 -3.495 -9.193 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.913 -8.756 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.466 -7.496 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.679 -6.950 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.570 -9.842 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.553 -8.650 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.258 -11.087 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.687 -10.565 -6.656 1.00 0.00 H new ATOM 650 N SER A 41 -1.247 -7.253 -1.171 1.00 0.00 N ATOM 651 CA SER A 41 -0.450 -6.184 -0.564 1.00 0.00 C ATOM 652 C SER A 41 0.750 -5.921 -1.450 1.00 0.00 C ATOM 653 O SER A 41 1.185 -4.788 -1.598 1.00 0.00 O ATOM 654 CB SER A 41 -0.006 -6.570 0.855 1.00 0.00 C ATOM 655 OG SER A 41 -1.139 -6.585 1.707 1.00 0.00 O ATOM 0 H SER A 41 -1.427 -8.051 -0.561 1.00 0.00 H new ATOM 0 HA SER A 41 -1.052 -5.279 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.471 -7.550 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.733 -5.859 1.224 1.00 0.00 H new ATOM 0 HG SER A 41 -0.863 -6.832 2.614 1.00 0.00 H new ATOM 661 N ALA A 42 1.236 -6.999 -2.061 1.00 0.00 N ATOM 662 CA ALA A 42 2.360 -6.945 -2.982 1.00 0.00 C ATOM 663 C ALA A 42 1.962 -6.263 -4.297 1.00 0.00 C ATOM 664 O ALA A 42 2.751 -5.556 -4.919 1.00 0.00 O ATOM 665 CB ALA A 42 2.823 -8.365 -3.280 1.00 0.00 C ATOM 0 H ALA A 42 0.857 -7.937 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 42 3.161 -6.368 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.666 -8.335 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.130 -8.850 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.005 -8.927 -3.730 1.00 0.00 H new ATOM 671 N ASN A 43 0.725 -6.492 -4.709 1.00 0.00 N ATOM 672 CA ASN A 43 0.183 -5.904 -5.921 1.00 0.00 C ATOM 673 C ASN A 43 -0.111 -4.445 -5.701 1.00 0.00 C ATOM 674 O ASN A 43 -0.088 -3.625 -6.609 1.00 0.00 O ATOM 675 CB ASN A 43 -1.140 -6.560 -6.215 1.00 0.00 C ATOM 676 CG ASN A 43 -1.446 -6.516 -7.708 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.417 -7.544 -8.382 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.727 -5.375 -8.266 1.00 0.00 N ATOM 0 H ASN A 43 0.068 -7.092 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 43 0.903 -6.037 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.122 -7.595 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.932 -6.055 -5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.924 -5.331 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.750 -4.524 -7.704 1.00 0.00 H new ATOM 685 N LEU A 44 -0.519 -4.187 -4.481 1.00 0.00 N ATOM 686 CA LEU A 44 -0.966 -2.882 -4.085 1.00 0.00 C ATOM 687 C LEU A 44 0.115 -1.845 -4.154 1.00 0.00 C ATOM 688 O LEU A 44 -0.148 -0.763 -4.647 1.00 0.00 O ATOM 689 CB LEU A 44 -1.610 -2.988 -2.721 1.00 0.00 C ATOM 690 CG LEU A 44 -2.947 -3.714 -2.925 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.464 -4.318 -1.623 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.956 -2.724 -3.483 1.00 0.00 C ATOM 0 H LEU A 44 -0.549 -4.883 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.711 -2.528 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.970 -3.540 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.767 -2.000 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.798 -4.537 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.412 -4.823 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.738 -5.036 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.612 -3.527 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.912 -3.225 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.085 -1.901 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.596 -2.335 -4.436 1.00 0.00 H new ATOM 704 N LEU A 45 1.338 -2.166 -3.756 1.00 0.00 N ATOM 705 CA LEU A 45 2.394 -1.160 -3.931 1.00 0.00 C ATOM 706 C LEU A 45 2.600 -1.050 -5.417 1.00 0.00 C ATOM 707 O LEU A 45 2.938 -0.009 -5.921 1.00 0.00 O ATOM 708 CB LEU A 45 3.782 -1.380 -3.269 1.00 0.00 C ATOM 709 CG LEU A 45 3.851 -2.569 -2.336 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.785 -2.463 -1.252 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.704 -3.830 -3.168 1.00 0.00 C ATOM 0 H LEU A 45 1.620 -3.052 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 45 2.028 -0.275 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.529 -1.506 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.052 -0.482 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 45 4.810 -2.597 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.851 -3.327 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.942 -1.552 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.798 -2.434 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.751 -4.703 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.745 -3.814 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.511 -3.879 -3.899 1.00 0.00 H new ATOM 723 N ALA A 46 2.382 -2.166 -6.113 1.00 0.00 N ATOM 724 CA ALA A 46 2.533 -2.184 -7.561 1.00 0.00 C ATOM 725 C ALA A 46 1.563 -1.175 -8.137 1.00 0.00 C ATOM 726 O ALA A 46 1.912 -0.345 -8.974 1.00 0.00 O ATOM 727 CB ALA A 46 2.174 -3.566 -8.108 1.00 0.00 C ATOM 0 H ALA A 46 2.104 -3.057 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 46 3.562 -1.948 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.290 -3.570 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.835 -4.314 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.141 -3.801 -7.853 1.00 0.00 H new ATOM 733 N GLU A 47 0.349 -1.240 -7.605 1.00 0.00 N ATOM 734 CA GLU A 47 -0.715 -0.342 -7.968 1.00 0.00 C ATOM 735 C GLU A 47 -0.345 1.052 -7.526 1.00 0.00 C ATOM 736 O GLU A 47 -0.427 2.004 -8.277 1.00 0.00 O ATOM 737 CB GLU A 47 -1.957 -0.790 -7.210 1.00 0.00 C ATOM 738 CG GLU A 47 -2.778 -1.765 -8.052 1.00 0.00 C ATOM 739 CD GLU A 47 -3.669 -2.615 -7.144 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.186 -3.620 -6.644 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.815 -2.245 -6.956 1.00 0.00 O ATOM 0 H GLU A 47 0.083 -1.929 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.889 -0.348 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.666 -1.266 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.565 0.077 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.391 -1.215 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.114 -2.408 -8.630 1.00 0.00 H new ATOM 748 N ALA A 48 0.071 1.117 -6.280 1.00 0.00 N ATOM 749 CA ALA A 48 0.476 2.354 -5.639 1.00 0.00 C ATOM 750 C ALA A 48 1.616 3.010 -6.386 1.00 0.00 C ATOM 751 O ALA A 48 1.578 4.200 -6.667 1.00 0.00 O ATOM 752 CB ALA A 48 0.904 2.054 -4.218 1.00 0.00 C ATOM 0 H ALA A 48 0.139 0.301 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.369 3.043 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.210 2.978 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.070 1.613 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.740 1.355 -4.230 1.00 0.00 H new ATOM 758 N LYS A 49 2.613 2.215 -6.722 1.00 0.00 N ATOM 759 CA LYS A 49 3.750 2.709 -7.479 1.00 0.00 C ATOM 760 C LYS A 49 3.252 3.165 -8.845 1.00 0.00 C ATOM 761 O LYS A 49 3.714 4.175 -9.380 1.00 0.00 O ATOM 762 CB LYS A 49 4.818 1.611 -7.614 1.00 0.00 C ATOM 763 CG LYS A 49 5.505 1.388 -6.252 1.00 0.00 C ATOM 764 CD LYS A 49 6.469 0.195 -6.334 1.00 0.00 C ATOM 765 CE LYS A 49 6.973 -0.163 -4.928 1.00 0.00 C ATOM 766 NZ LYS A 49 7.961 -1.276 -5.019 1.00 0.00 N ATOM 0 H LYS A 49 2.660 1.224 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 49 4.213 3.550 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.359 0.684 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.556 1.898 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.050 2.286 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.754 1.206 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.964 -0.663 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.311 0.440 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.434 0.709 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.136 -0.457 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.923 -1.846 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.733 -1.877 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.917 -0.883 -5.134 1.00 0.00 H new ATOM 780 N LYS A 50 2.254 2.438 -9.374 1.00 0.00 N ATOM 781 CA LYS A 50 1.641 2.802 -10.644 1.00 0.00 C ATOM 782 C LYS A 50 0.813 4.066 -10.450 1.00 0.00 C ATOM 783 O LYS A 50 0.736 4.913 -11.329 1.00 0.00 O ATOM 784 CB LYS A 50 0.767 1.644 -11.163 1.00 0.00 C ATOM 785 CG LYS A 50 1.624 0.680 -12.009 1.00 0.00 C ATOM 786 CD LYS A 50 1.100 -0.771 -11.926 1.00 0.00 C ATOM 787 CE LYS A 50 -0.424 -0.831 -12.102 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.807 -0.188 -13.392 1.00 0.00 N ATOM 0 H LYS A 50 1.863 1.602 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 50 2.415 2.995 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.322 1.109 -10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.054 2.037 -11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.623 1.009 -13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.658 0.714 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.580 -1.377 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.373 -1.203 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.761 -1.868 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.916 -0.324 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.630 -0.680 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.048 0.810 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.010 -0.244 -14.058 1.00 0.00 H new ATOM 802 N LEU A 51 0.213 4.165 -9.263 1.00 0.00 N ATOM 803 CA LEU A 51 -0.618 5.297 -8.866 1.00 0.00 C ATOM 804 C LEU A 51 0.231 6.533 -8.676 1.00 0.00 C ATOM 805 O LEU A 51 -0.112 7.628 -9.114 1.00 0.00 O ATOM 806 CB LEU A 51 -1.248 4.971 -7.511 1.00 0.00 C ATOM 807 CG LEU A 51 -2.706 4.535 -7.619 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.564 5.723 -8.081 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.825 3.323 -8.568 1.00 0.00 C ATOM 0 H LEU A 51 0.293 3.449 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.368 5.475 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.673 4.180 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.184 5.848 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.076 4.219 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.606 5.411 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.481 6.535 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.215 6.067 -9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.869 3.018 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.459 3.598 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.231 2.496 -8.178 1.00 0.00 H new ATOM 821 N ASN A 52 1.341 6.318 -7.991 1.00 0.00 N ATOM 822 CA ASN A 52 2.284 7.360 -7.682 1.00 0.00 C ATOM 823 C ASN A 52 2.777 7.969 -8.976 1.00 0.00 C ATOM 824 O ASN A 52 2.792 9.190 -9.145 1.00 0.00 O ATOM 825 CB ASN A 52 3.433 6.716 -6.895 1.00 0.00 C ATOM 826 CG ASN A 52 4.368 7.757 -6.307 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.044 8.392 -5.306 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.526 7.956 -6.864 1.00 0.00 N ATOM 0 H ASN A 52 1.609 5.401 -7.633 1.00 0.00 H new ATOM 0 HA ASN A 52 1.835 8.154 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.024 6.101 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.995 6.052 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.170 8.642 -6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.790 7.426 -7.695 1.00 0.00 H new ATOM 835 N ASP A 53 3.145 7.087 -9.891 1.00 0.00 N ATOM 836 CA ASP A 53 3.611 7.486 -11.193 1.00 0.00 C ATOM 837 C ASP A 53 2.473 8.042 -12.055 1.00 0.00 C ATOM 838 O ASP A 53 2.673 8.971 -12.841 1.00 0.00 O ATOM 839 CB ASP A 53 4.243 6.282 -11.899 1.00 0.00 C ATOM 840 CG ASP A 53 4.912 6.723 -13.201 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.048 7.164 -13.141 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.274 6.620 -14.237 1.00 0.00 O ATOM 0 H ASP A 53 3.126 6.078 -9.745 1.00 0.00 H new ATOM 0 HA ASP A 53 4.349 8.276 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.978 5.813 -11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.480 5.533 -12.110 1.00 0.00 H new ATOM 847 N ALA A 54 1.298 7.419 -11.936 1.00 0.00 N ATOM 848 CA ALA A 54 0.135 7.798 -12.749 1.00 0.00 C ATOM 849 C ALA A 54 -0.508 9.108 -12.342 1.00 0.00 C ATOM 850 O ALA A 54 -0.941 9.881 -13.200 1.00 0.00 O ATOM 851 CB ALA A 54 -0.928 6.731 -12.591 1.00 0.00 C ATOM 0 H ALA A 54 1.125 6.652 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 54 0.503 7.906 -13.769 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.801 6.995 -13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.534 5.772 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.215 6.656 -11.542 1.00 0.00 H new ATOM 857 N GLN A 55 -0.601 9.343 -11.043 1.00 0.00 N ATOM 858 CA GLN A 55 -1.235 10.549 -10.560 1.00 0.00 C ATOM 859 C GLN A 55 -0.288 11.710 -10.647 1.00 0.00 C ATOM 860 O GLN A 55 -0.658 12.795 -11.105 1.00 0.00 O ATOM 861 CB GLN A 55 -1.645 10.379 -9.106 1.00 0.00 C ATOM 862 CG GLN A 55 -2.812 9.401 -8.971 1.00 0.00 C ATOM 863 CD GLN A 55 -3.258 9.360 -7.513 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.224 8.677 -7.176 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.620 10.075 -6.623 1.00 0.00 N ATOM 0 H GLN A 55 -0.249 8.721 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.112 10.738 -11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.796 10.018 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.928 11.346 -8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.639 9.711 -9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.510 8.407 -9.301 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.819 10.641 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.923 10.066 -5.649 1.00 0.00 H new ATOM 874 N ALA A 56 0.930 11.461 -10.169 1.00 0.00 N ATOM 875 CA ALA A 56 1.973 12.487 -10.131 1.00 0.00 C ATOM 876 C ALA A 56 1.342 13.861 -9.824 1.00 0.00 C ATOM 877 O ALA A 56 1.516 14.814 -10.585 1.00 0.00 O ATOM 878 CB ALA A 56 2.721 12.514 -11.467 1.00 0.00 C ATOM 0 H ALA A 56 1.220 10.555 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 56 2.688 12.253 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.497 13.279 -11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.178 11.541 -11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.021 12.741 -12.271 1.00 0.00 H new ATOM 884 N PRO A 57 0.576 13.952 -8.737 1.00 0.00 N ATOM 885 CA PRO A 57 -0.150 15.180 -8.306 1.00 0.00 C ATOM 886 C PRO A 57 0.562 16.476 -8.682 1.00 0.00 C ATOM 887 O PRO A 57 1.615 16.810 -8.134 1.00 0.00 O ATOM 888 CB PRO A 57 -0.278 15.011 -6.777 1.00 0.00 C ATOM 889 CG PRO A 57 0.350 13.689 -6.467 1.00 0.00 C ATOM 890 CD PRO A 57 0.307 12.904 -7.768 1.00 0.00 C ATOM 0 HA PRO A 57 -1.113 15.273 -8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.228 15.819 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.322 15.032 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.375 13.814 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.195 13.171 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.057 12.114 -7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.661 12.431 -7.932 1.00 0.00 H new ATOM 898 N LYS A 58 -0.031 17.185 -9.636 1.00 0.00 N ATOM 899 CA LYS A 58 0.521 18.446 -10.124 1.00 0.00 C ATOM 900 C LYS A 58 -0.030 19.623 -9.316 1.00 0.00 C ATOM 901 O LYS A 58 -1.224 19.637 -9.058 1.00 0.00 O ATOM 902 CB LYS A 58 0.171 18.629 -11.610 1.00 0.00 C ATOM 903 CG LYS A 58 0.757 17.473 -12.441 1.00 0.00 C ATOM 904 CD LYS A 58 -0.295 16.366 -12.627 1.00 0.00 C ATOM 905 CE LYS A 58 0.294 15.220 -13.459 1.00 0.00 C ATOM 906 NZ LYS A 58 0.320 15.611 -14.897 1.00 0.00 N ATOM 907 OXT LYS A 58 0.750 20.494 -8.967 1.00 0.00 O ATOM 0 H LYS A 58 -0.901 16.906 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 58 1.604 18.418 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.911 18.664 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.564 19.580 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.082 17.843 -13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.638 17.068 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.618 15.993 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.177 16.771 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.302 14.989 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.303 14.317 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.201 14.764 -15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.453 16.280 -15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.231 16.062 -15.118 1.00 0.00 H new TER 921 LYS A 58