USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 26 GLN : amide:sc= -5! C(o=-7.7!,f=-3.8!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.65! K(o=-7.7!,f=-3.8) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.757 K(o=-2.2,f=-5.5!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.4 K(o=-2.2,f=-0.61) USER MOD Single : A 1 VAL N :NH3+ 166:sc= -0.0534 (180deg=-0.303) USER MOD Single : A 3 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.14) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.0557 (180deg=-0.607) USER MOD Single : A 6 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.09) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.103) USER MOD Single : A 9 MET CE :methyl -157:sc= -1.18 (180deg=-2.53!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.422 K(o=0.42,f=-3!) USER MOD Single : A 24 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.051) USER MOD Single : A 25 GLN : amide:sc= -0.651 K(o=-0.65,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 1.8 (180deg=-2.23!) USER MOD Single : A 33 SER OG : rot 74:sc= 1.23 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.817 K(o=-0.82,f=0) USER MOD Single : A 41 SER OG : rot -88:sc= 1.04 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.684 (180deg=0.642) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.153 20.944 -2.571 1.00 0.00 N ATOM 2 CA VAL A 1 6.158 20.542 -1.534 1.00 0.00 C ATOM 3 C VAL A 1 6.252 21.506 -0.346 1.00 0.00 C ATOM 4 O VAL A 1 7.285 21.589 0.323 1.00 0.00 O ATOM 5 CB VAL A 1 6.428 19.083 -1.100 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.843 18.935 -0.509 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.390 18.648 -0.055 1.00 0.00 C ATOM 0 H1 VAL A 1 7.264 20.175 -3.262 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.820 21.801 -3.058 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.069 21.137 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 1 5.147 20.593 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 1 6.351 18.447 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.007 17.899 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.582 19.219 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.943 19.582 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.586 17.619 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.455 19.300 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.391 18.716 -0.485 1.00 0.00 H new ATOM 17 N ASP A 2 5.165 22.246 -0.103 1.00 0.00 N ATOM 18 CA ASP A 2 5.122 23.214 0.992 1.00 0.00 C ATOM 19 C ASP A 2 5.016 22.506 2.343 1.00 0.00 C ATOM 20 O ASP A 2 5.935 22.581 3.163 1.00 0.00 O ATOM 21 CB ASP A 2 3.930 24.168 0.802 1.00 0.00 C ATOM 22 CG ASP A 2 4.100 24.980 -0.484 1.00 0.00 C ATOM 23 OD1 ASP A 2 5.020 25.781 -0.539 1.00 0.00 O ATOM 24 OD2 ASP A 2 3.309 24.791 -1.396 1.00 0.00 O ATOM 0 H ASP A 2 4.306 22.191 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 2 6.048 23.788 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.002 23.598 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.853 24.840 1.657 1.00 0.00 H new ATOM 29 N ASN A 3 3.883 21.828 2.567 1.00 0.00 N ATOM 30 CA ASN A 3 3.645 21.113 3.821 1.00 0.00 C ATOM 31 C ASN A 3 4.138 19.668 3.736 1.00 0.00 C ATOM 32 O ASN A 3 5.018 19.265 4.501 1.00 0.00 O ATOM 33 CB ASN A 3 2.146 21.131 4.155 1.00 0.00 C ATOM 34 CG ASN A 3 1.693 22.556 4.473 1.00 0.00 C ATOM 35 OD1 ASN A 3 1.187 22.819 5.563 1.00 0.00 O ATOM 36 ND2 ASN A 3 1.849 23.496 3.583 1.00 0.00 N ATOM 0 H ASN A 3 3.119 21.761 1.895 1.00 0.00 H new ATOM 0 HA ASN A 3 4.202 21.618 4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.574 20.739 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.948 20.480 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.552 24.449 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.269 23.278 2.679 1.00 0.00 H new ATOM 43 N LYS A 4 3.558 18.894 2.807 1.00 0.00 N ATOM 44 CA LYS A 4 3.928 17.482 2.623 1.00 0.00 C ATOM 45 C LYS A 4 3.135 16.868 1.460 1.00 0.00 C ATOM 46 O LYS A 4 2.040 17.336 1.132 1.00 0.00 O ATOM 47 CB LYS A 4 3.645 16.684 3.918 1.00 0.00 C ATOM 48 CG LYS A 4 4.954 16.150 4.528 1.00 0.00 C ATOM 49 CD LYS A 4 5.440 14.919 3.743 1.00 0.00 C ATOM 50 CE LYS A 4 6.624 14.267 4.470 1.00 0.00 C ATOM 51 NZ LYS A 4 6.171 13.724 5.785 1.00 0.00 N ATOM 0 H LYS A 4 2.831 19.222 2.171 1.00 0.00 H new ATOM 0 HA LYS A 4 4.992 17.433 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.136 17.322 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.975 15.853 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.717 16.928 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.796 15.885 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.627 14.201 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.738 15.213 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.041 13.466 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.417 14.999 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.840 12.997 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.131 14.494 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.226 13.303 5.680 1.00 0.00 H new ATOM 65 N PHE A 5 3.694 15.811 0.854 1.00 0.00 N ATOM 66 CA PHE A 5 3.041 15.118 -0.266 1.00 0.00 C ATOM 67 C PHE A 5 2.150 13.977 0.252 1.00 0.00 C ATOM 68 O PHE A 5 2.182 12.851 -0.257 1.00 0.00 O ATOM 69 CB PHE A 5 4.097 14.592 -1.266 1.00 0.00 C ATOM 70 CG PHE A 5 5.212 13.856 -0.541 1.00 0.00 C ATOM 71 CD1 PHE A 5 6.315 14.568 -0.050 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.145 12.466 -0.364 1.00 0.00 C ATOM 73 CE1 PHE A 5 7.345 13.896 0.616 1.00 0.00 C ATOM 74 CE2 PHE A 5 6.178 11.795 0.302 1.00 0.00 C ATOM 75 CZ PHE A 5 7.277 12.510 0.791 1.00 0.00 C ATOM 0 H PHE A 5 4.596 15.417 1.120 1.00 0.00 H new ATOM 0 HA PHE A 5 2.404 15.829 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.622 13.924 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.514 15.425 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.370 15.638 -0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.297 11.914 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.193 14.447 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.126 10.725 0.438 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.073 11.991 1.304 1.00 0.00 H new ATOM 85 N ASN A 6 1.346 14.300 1.270 1.00 0.00 N ATOM 86 CA ASN A 6 0.426 13.336 1.890 1.00 0.00 C ATOM 87 C ASN A 6 -0.494 12.686 0.850 1.00 0.00 C ATOM 88 O ASN A 6 -0.975 11.565 1.052 1.00 0.00 O ATOM 89 CB ASN A 6 -0.427 14.045 2.953 1.00 0.00 C ATOM 90 CG ASN A 6 0.466 14.640 4.044 1.00 0.00 C ATOM 91 OD1 ASN A 6 1.259 13.928 4.660 1.00 0.00 O ATOM 92 ND2 ASN A 6 0.388 15.914 4.316 1.00 0.00 N ATOM 0 H ASN A 6 1.313 15.230 1.687 1.00 0.00 H new ATOM 0 HA ASN A 6 1.025 12.551 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.018 14.834 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.130 13.339 3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.984 16.319 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.269 16.505 3.806 1.00 0.00 H new ATOM 99 N LYS A 7 -0.742 13.399 -0.255 1.00 0.00 N ATOM 100 CA LYS A 7 -1.615 12.898 -1.324 1.00 0.00 C ATOM 101 C LYS A 7 -1.134 11.537 -1.847 1.00 0.00 C ATOM 102 O LYS A 7 -1.951 10.678 -2.194 1.00 0.00 O ATOM 103 CB LYS A 7 -1.657 13.908 -2.485 1.00 0.00 C ATOM 104 CG LYS A 7 -2.628 15.060 -2.161 1.00 0.00 C ATOM 105 CD LYS A 7 -2.001 16.020 -1.135 1.00 0.00 C ATOM 106 CE LYS A 7 -2.922 17.228 -0.925 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.815 18.150 -2.093 1.00 0.00 N ATOM 0 H LYS A 7 -0.351 14.324 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.614 12.772 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.658 14.306 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.971 13.406 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.874 15.603 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.561 14.657 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.843 15.503 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.023 16.353 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.953 16.895 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.648 17.752 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.274 19.055 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.812 18.317 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.284 17.722 -2.917 1.00 0.00 H new ATOM 121 N GLU A 8 0.190 11.345 -1.896 1.00 0.00 N ATOM 122 CA GLU A 8 0.754 10.081 -2.377 1.00 0.00 C ATOM 123 C GLU A 8 0.357 8.926 -1.453 1.00 0.00 C ATOM 124 O GLU A 8 0.029 7.831 -1.926 1.00 0.00 O ATOM 125 CB GLU A 8 2.285 10.174 -2.464 1.00 0.00 C ATOM 126 CG GLU A 8 2.690 11.231 -3.513 1.00 0.00 C ATOM 127 CD GLU A 8 4.214 11.259 -3.747 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.952 10.715 -2.936 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.622 11.840 -4.739 1.00 0.00 O ATOM 0 H GLU A 8 0.881 12.039 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 8 0.353 9.889 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.698 10.439 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.702 9.204 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.183 11.020 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.356 12.215 -3.184 1.00 0.00 H new ATOM 136 N MET A 9 0.378 9.181 -0.137 1.00 0.00 N ATOM 137 CA MET A 9 0.008 8.155 0.842 1.00 0.00 C ATOM 138 C MET A 9 -1.442 7.735 0.644 1.00 0.00 C ATOM 139 O MET A 9 -1.746 6.544 0.632 1.00 0.00 O ATOM 140 CB MET A 9 0.192 8.682 2.279 1.00 0.00 C ATOM 141 CG MET A 9 1.617 8.401 2.781 1.00 0.00 C ATOM 142 SD MET A 9 2.414 9.957 3.246 1.00 0.00 S ATOM 143 CE MET A 9 3.228 10.277 1.662 1.00 0.00 C ATOM 0 H MET A 9 0.644 10.078 0.268 1.00 0.00 H new ATOM 0 HA MET A 9 0.660 7.295 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.004 9.754 2.307 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.533 8.208 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.586 7.727 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.196 7.902 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.081 10.937 1.818 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.571 9.336 1.233 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.523 10.751 0.980 1.00 0.00 H new ATOM 153 N ARG A 10 -2.327 8.724 0.486 1.00 0.00 N ATOM 154 CA ARG A 10 -3.756 8.453 0.291 1.00 0.00 C ATOM 155 C ARG A 10 -3.984 7.571 -0.940 1.00 0.00 C ATOM 156 O ARG A 10 -4.835 6.672 -0.920 1.00 0.00 O ATOM 157 CB ARG A 10 -4.528 9.775 0.130 1.00 0.00 C ATOM 158 CG ARG A 10 -4.466 10.581 1.439 1.00 0.00 C ATOM 159 CD ARG A 10 -5.237 11.902 1.286 1.00 0.00 C ATOM 160 NE ARG A 10 -6.681 11.651 1.198 1.00 0.00 N ATOM 161 CZ ARG A 10 -7.337 11.596 0.032 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.705 11.733 -1.104 1.00 0.00 N ATOM 163 NH2 ARG A 10 -8.623 11.394 0.029 1.00 0.00 N ATOM 0 H ARG A 10 -2.082 9.714 0.489 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.123 7.923 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.102 10.358 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.566 9.570 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.890 9.996 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.428 10.786 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.027 12.552 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.898 12.425 0.392 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.206 11.513 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.696 11.884 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.221 11.688 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.123 11.279 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.130 11.351 -0.855 1.00 0.00 H new ATOM 177 N ASN A 11 -3.221 7.835 -2.008 1.00 0.00 N ATOM 178 CA ASN A 11 -3.352 7.063 -3.244 1.00 0.00 C ATOM 179 C ASN A 11 -3.054 5.582 -3.004 1.00 0.00 C ATOM 180 O ASN A 11 -3.900 4.725 -3.270 1.00 0.00 O ATOM 181 CB ASN A 11 -2.402 7.614 -4.315 1.00 0.00 C ATOM 182 CG ASN A 11 -2.718 6.979 -5.668 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.770 7.243 -6.248 1.00 0.00 O ATOM 184 ND2 ASN A 11 -1.867 6.150 -6.206 1.00 0.00 N ATOM 0 H ASN A 11 -2.514 8.570 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.382 7.156 -3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.503 8.697 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.368 7.406 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.074 5.721 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.995 5.931 -5.725 1.00 0.00 H new ATOM 191 N ALA A 12 -1.853 5.285 -2.495 1.00 0.00 N ATOM 192 CA ALA A 12 -1.467 3.895 -2.229 1.00 0.00 C ATOM 193 C ALA A 12 -2.307 3.297 -1.090 1.00 0.00 C ATOM 194 O ALA A 12 -2.542 2.091 -1.060 1.00 0.00 O ATOM 195 CB ALA A 12 0.031 3.804 -1.890 1.00 0.00 C ATOM 0 H ALA A 12 -1.141 5.977 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.657 3.317 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.298 2.765 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.617 4.178 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.241 4.404 -1.004 1.00 0.00 H new ATOM 201 N TYR A 13 -2.754 4.152 -0.156 1.00 0.00 N ATOM 202 CA TYR A 13 -3.565 3.704 0.990 1.00 0.00 C ATOM 203 C TYR A 13 -4.811 2.939 0.523 1.00 0.00 C ATOM 204 O TYR A 13 -5.007 1.771 0.889 1.00 0.00 O ATOM 205 CB TYR A 13 -3.991 4.933 1.825 1.00 0.00 C ATOM 206 CG TYR A 13 -4.749 4.515 3.074 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.118 4.217 3.003 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.085 4.443 4.307 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.817 3.848 4.159 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.785 4.072 5.462 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.151 3.774 5.387 1.00 0.00 C ATOM 212 OH TYR A 13 -6.840 3.409 6.526 1.00 0.00 O ATOM 0 H TYR A 13 -2.569 5.155 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.962 3.030 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.109 5.507 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.617 5.588 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.634 4.272 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.032 4.674 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.871 3.620 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.271 4.016 6.410 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.228 3.406 7.292 1.00 0.00 H new ATOM 222 N TRP A 14 -5.649 3.603 -0.279 1.00 0.00 N ATOM 223 CA TRP A 14 -6.876 2.977 -0.775 1.00 0.00 C ATOM 224 C TRP A 14 -6.588 1.891 -1.814 1.00 0.00 C ATOM 225 O TRP A 14 -7.267 0.861 -1.830 1.00 0.00 O ATOM 226 CB TRP A 14 -7.813 4.021 -1.386 1.00 0.00 C ATOM 227 CG TRP A 14 -8.312 4.957 -0.323 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.966 6.262 -0.204 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.243 4.683 0.768 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.622 6.802 0.887 1.00 0.00 N ATOM 231 CE2 TRP A 14 -9.420 5.869 1.518 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.943 3.531 1.173 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -10.260 5.913 2.631 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.789 3.571 2.294 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.947 4.759 3.021 1.00 0.00 C ATOM 0 H TRP A 14 -5.502 4.562 -0.595 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.357 2.512 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.288 4.583 -2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.655 3.526 -1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.288 6.794 -0.855 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.528 7.772 1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.829 2.611 0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -10.379 6.831 3.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.321 2.681 2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.599 4.783 3.882 1.00 0.00 H new ATOM 246 N GLU A 15 -5.600 2.128 -2.691 1.00 0.00 N ATOM 247 CA GLU A 15 -5.265 1.153 -3.735 1.00 0.00 C ATOM 248 C GLU A 15 -4.843 -0.183 -3.121 1.00 0.00 C ATOM 249 O GLU A 15 -5.274 -1.242 -3.582 1.00 0.00 O ATOM 250 CB GLU A 15 -4.145 1.699 -4.633 1.00 0.00 C ATOM 251 CG GLU A 15 -4.702 2.821 -5.536 1.00 0.00 C ATOM 252 CD GLU A 15 -3.611 3.425 -6.443 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.433 3.243 -6.162 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.975 4.081 -7.406 1.00 0.00 O ATOM 0 H GLU A 15 -5.028 2.973 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.156 0.985 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.329 2.083 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.733 0.897 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.508 2.424 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.133 3.606 -4.915 1.00 0.00 H new ATOM 261 N ILE A 16 -4.022 -0.131 -2.068 1.00 0.00 N ATOM 262 CA ILE A 16 -3.586 -1.355 -1.393 1.00 0.00 C ATOM 263 C ILE A 16 -4.789 -2.044 -0.742 1.00 0.00 C ATOM 264 O ILE A 16 -4.978 -3.254 -0.893 1.00 0.00 O ATOM 265 CB ILE A 16 -2.510 -1.030 -0.337 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.226 -0.552 -1.046 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.193 -2.281 0.505 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.285 0.116 -0.035 1.00 0.00 C ATOM 0 H ILE A 16 -3.651 0.732 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.149 -2.031 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.885 -0.246 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.725 -1.397 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.479 0.151 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.432 -2.037 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.098 -2.618 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.825 -3.074 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.619 0.450 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.785 0.973 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.019 -0.600 0.743 1.00 0.00 H new ATOM 280 N ALA A 17 -5.594 -1.254 -0.022 1.00 0.00 N ATOM 281 CA ALA A 17 -6.781 -1.779 0.659 1.00 0.00 C ATOM 282 C ALA A 17 -7.752 -2.428 -0.332 1.00 0.00 C ATOM 283 O ALA A 17 -8.474 -3.365 0.024 1.00 0.00 O ATOM 284 CB ALA A 17 -7.497 -0.645 1.403 1.00 0.00 C ATOM 0 H ALA A 17 -5.445 -0.253 0.103 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.452 -2.540 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.379 -1.041 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.822 -0.210 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.800 0.123 0.691 1.00 0.00 H new ATOM 290 N LEU A 18 -7.771 -1.914 -1.565 1.00 0.00 N ATOM 291 CA LEU A 18 -8.662 -2.433 -2.607 1.00 0.00 C ATOM 292 C LEU A 18 -8.397 -3.916 -2.886 1.00 0.00 C ATOM 293 O LEU A 18 -9.335 -4.670 -3.161 1.00 0.00 O ATOM 294 CB LEU A 18 -8.488 -1.617 -3.900 1.00 0.00 C ATOM 295 CG LEU A 18 -9.585 -1.986 -4.926 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.073 -0.719 -5.643 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.024 -2.968 -5.969 1.00 0.00 C ATOM 0 H LEU A 18 -7.180 -1.139 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.687 -2.337 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.537 -0.552 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.503 -1.807 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.416 -2.453 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.846 -0.984 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.483 -0.022 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.237 -0.250 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.804 -3.221 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.187 -2.505 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.683 -3.874 -5.469 1.00 0.00 H new ATOM 309 N LEU A 19 -7.124 -4.330 -2.817 1.00 0.00 N ATOM 310 CA LEU A 19 -6.768 -5.730 -3.074 1.00 0.00 C ATOM 311 C LEU A 19 -7.346 -6.631 -1.963 1.00 0.00 C ATOM 312 O LEU A 19 -7.046 -6.431 -0.782 1.00 0.00 O ATOM 313 CB LEU A 19 -5.236 -5.864 -3.147 1.00 0.00 C ATOM 314 CG LEU A 19 -4.717 -5.698 -4.601 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.496 -4.616 -5.372 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.231 -5.306 -4.570 1.00 0.00 C ATOM 0 H LEU A 19 -6.335 -3.725 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.192 -6.048 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.773 -5.113 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.937 -6.839 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.859 -6.651 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.099 -4.534 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.550 -4.889 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.390 -3.659 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.864 -5.189 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.114 -4.365 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.660 -6.086 -4.066 1.00 0.00 H new ATOM 328 N PRO A 20 -8.195 -7.587 -2.317 1.00 0.00 N ATOM 329 CA PRO A 20 -8.870 -8.508 -1.340 1.00 0.00 C ATOM 330 C PRO A 20 -8.109 -9.796 -0.982 1.00 0.00 C ATOM 331 O PRO A 20 -8.354 -10.371 0.082 1.00 0.00 O ATOM 332 CB PRO A 20 -10.149 -8.864 -2.095 1.00 0.00 C ATOM 333 CG PRO A 20 -9.712 -8.963 -3.519 1.00 0.00 C ATOM 334 CD PRO A 20 -8.624 -7.903 -3.701 1.00 0.00 C ATOM 0 HA PRO A 20 -8.983 -8.022 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.573 -9.804 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.915 -8.100 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.328 -9.959 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.547 -8.785 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.795 -8.281 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.009 -7.020 -4.211 1.00 0.00 H new ATOM 342 N ASN A 21 -7.243 -10.280 -1.882 1.00 0.00 N ATOM 343 CA ASN A 21 -6.531 -11.546 -1.650 1.00 0.00 C ATOM 344 C ASN A 21 -5.257 -11.388 -0.815 1.00 0.00 C ATOM 345 O ASN A 21 -4.588 -12.386 -0.527 1.00 0.00 O ATOM 346 CB ASN A 21 -6.209 -12.204 -3.002 1.00 0.00 C ATOM 347 CG ASN A 21 -5.335 -11.297 -3.864 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.010 -10.172 -3.476 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.946 -11.716 -5.031 1.00 0.00 N ATOM 0 H ASN A 21 -7.020 -9.823 -2.766 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.194 -12.184 -1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.699 -13.153 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.136 -12.429 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.373 -11.115 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.213 -12.646 -5.354 1.00 0.00 H new ATOM 356 N LEU A 22 -4.931 -10.160 -0.401 1.00 0.00 N ATOM 357 CA LEU A 22 -3.739 -9.954 0.428 1.00 0.00 C ATOM 358 C LEU A 22 -4.005 -10.463 1.836 1.00 0.00 C ATOM 359 O LEU A 22 -5.047 -10.156 2.422 1.00 0.00 O ATOM 360 CB LEU A 22 -3.343 -8.472 0.524 1.00 0.00 C ATOM 361 CG LEU A 22 -3.109 -7.864 -0.860 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.178 -6.334 -0.754 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.722 -8.262 -1.374 1.00 0.00 C ATOM 0 H LEU A 22 -5.459 -9.315 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.923 -10.501 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.128 -7.917 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.438 -8.374 1.123 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.871 -8.230 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.012 -5.893 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.160 -6.039 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.411 -5.982 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.561 -7.826 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.960 -7.895 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.657 -9.348 -1.442 1.00 0.00 H new ATOM 375 N ASN A 23 -3.052 -11.235 2.368 1.00 0.00 N ATOM 376 CA ASN A 23 -3.180 -11.784 3.729 1.00 0.00 C ATOM 377 C ASN A 23 -3.535 -10.660 4.711 1.00 0.00 C ATOM 378 O ASN A 23 -3.105 -9.520 4.527 1.00 0.00 O ATOM 379 CB ASN A 23 -1.871 -12.457 4.167 1.00 0.00 C ATOM 380 CG ASN A 23 -2.058 -13.143 5.521 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.725 -12.571 6.560 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.574 -14.339 5.571 1.00 0.00 N ATOM 0 H ASN A 23 -2.191 -11.494 1.886 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.973 -12.532 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.562 -13.188 3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.076 -11.714 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.702 -14.802 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.849 -14.812 4.710 1.00 0.00 H new ATOM 389 N ASN A 24 -4.343 -10.987 5.728 1.00 0.00 N ATOM 390 CA ASN A 24 -4.790 -9.998 6.723 1.00 0.00 C ATOM 391 C ASN A 24 -3.619 -9.197 7.307 1.00 0.00 C ATOM 392 O ASN A 24 -3.735 -7.985 7.509 1.00 0.00 O ATOM 393 CB ASN A 24 -5.539 -10.706 7.863 1.00 0.00 C ATOM 394 CG ASN A 24 -6.788 -11.409 7.327 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.943 -12.618 7.498 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.693 -10.720 6.688 1.00 0.00 N ATOM 0 H ASN A 24 -4.702 -11.929 5.885 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.453 -9.300 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.882 -11.433 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.822 -9.981 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.528 -11.183 6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.565 -9.718 6.546 1.00 0.00 H new ATOM 403 N GLN A 25 -2.501 -9.876 7.571 1.00 0.00 N ATOM 404 CA GLN A 25 -1.319 -9.209 8.130 1.00 0.00 C ATOM 405 C GLN A 25 -0.709 -8.233 7.118 1.00 0.00 C ATOM 406 O GLN A 25 -0.287 -7.131 7.481 1.00 0.00 O ATOM 407 CB GLN A 25 -0.268 -10.254 8.536 1.00 0.00 C ATOM 408 CG GLN A 25 -0.808 -11.121 9.688 1.00 0.00 C ATOM 409 CD GLN A 25 0.249 -12.121 10.179 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.005 -12.852 11.139 1.00 0.00 O ATOM 411 NE2 GLN A 25 1.409 -12.206 9.581 1.00 0.00 N ATOM 0 H GLN A 25 -2.387 -10.877 7.410 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.632 -8.646 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.019 -10.883 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.652 -9.757 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.116 -10.480 10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.695 -11.660 9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.618 -11.603 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.105 -12.875 9.911 1.00 0.00 H new ATOM 420 N GLN A 26 -0.653 -8.659 5.854 1.00 0.00 N ATOM 421 CA GLN A 26 -0.078 -7.840 4.781 1.00 0.00 C ATOM 422 C GLN A 26 -0.897 -6.570 4.529 1.00 0.00 C ATOM 423 O GLN A 26 -0.330 -5.505 4.276 1.00 0.00 O ATOM 424 CB GLN A 26 0.003 -8.662 3.488 1.00 0.00 C ATOM 425 CG GLN A 26 0.996 -9.825 3.668 1.00 0.00 C ATOM 426 CD GLN A 26 1.023 -10.699 2.415 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.086 -10.928 1.837 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.090 -11.204 1.958 1.00 0.00 N ATOM 0 H GLN A 26 -0.999 -9.568 5.547 1.00 0.00 H new ATOM 0 HA GLN A 26 0.920 -7.537 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.983 -9.050 3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.320 -8.026 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.993 -9.433 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.711 -10.425 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.970 -11.014 2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.080 -11.788 1.122 1.00 0.00 H new ATOM 437 N LYS A 27 -2.232 -6.691 4.584 1.00 0.00 N ATOM 438 CA LYS A 27 -3.125 -5.543 4.335 1.00 0.00 C ATOM 439 C LYS A 27 -2.795 -4.365 5.259 1.00 0.00 C ATOM 440 O LYS A 27 -2.564 -3.245 4.793 1.00 0.00 O ATOM 441 CB LYS A 27 -4.587 -5.967 4.556 1.00 0.00 C ATOM 442 CG LYS A 27 -4.997 -7.008 3.508 1.00 0.00 C ATOM 443 CD LYS A 27 -6.399 -7.554 3.835 1.00 0.00 C ATOM 444 CE LYS A 27 -7.352 -7.263 2.673 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.010 -8.145 1.515 1.00 0.00 N ATOM 0 H LYS A 27 -2.716 -7.563 4.797 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.978 -5.222 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.707 -6.381 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.240 -5.097 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.994 -6.558 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.274 -7.824 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.348 -8.628 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.774 -7.094 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.383 -7.435 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.277 -6.216 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.924 -7.569 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.108 -8.628 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.761 -8.853 1.384 1.00 0.00 H new ATOM 459 N ARG A 28 -2.770 -4.635 6.563 1.00 0.00 N ATOM 460 CA ARG A 28 -2.462 -3.604 7.557 1.00 0.00 C ATOM 461 C ARG A 28 -0.974 -3.233 7.537 1.00 0.00 C ATOM 462 O ARG A 28 -0.613 -2.084 7.800 1.00 0.00 O ATOM 463 CB ARG A 28 -2.843 -4.099 8.962 1.00 0.00 C ATOM 464 CG ARG A 28 -4.365 -4.308 9.053 1.00 0.00 C ATOM 465 CD ARG A 28 -4.751 -4.707 10.483 1.00 0.00 C ATOM 466 NE ARG A 28 -6.169 -5.078 10.540 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.759 -5.453 11.678 1.00 0.00 C ATOM 468 NH1 ARG A 28 -6.086 -5.505 12.795 1.00 0.00 N ATOM 469 NH2 ARG A 28 -8.022 -5.772 11.673 1.00 0.00 N ATOM 0 H ARG A 28 -2.959 -5.557 6.957 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.042 -2.716 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.326 -5.034 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.522 -3.375 9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.884 -3.393 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.677 -5.083 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.135 -5.543 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.557 -3.879 11.164 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.722 -5.049 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.097 -5.257 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.549 -5.793 13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.554 -5.735 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.479 -6.059 12.539 1.00 0.00 H new ATOM 483 N ALA A 29 -0.119 -4.220 7.256 1.00 0.00 N ATOM 484 CA ALA A 29 1.331 -4.006 7.244 1.00 0.00 C ATOM 485 C ALA A 29 1.764 -2.961 6.211 1.00 0.00 C ATOM 486 O ALA A 29 2.387 -1.959 6.571 1.00 0.00 O ATOM 487 CB ALA A 29 2.044 -5.332 6.959 1.00 0.00 C ATOM 0 H ALA A 29 -0.405 -5.174 7.034 1.00 0.00 H new ATOM 0 HA ALA A 29 1.609 -3.626 8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.122 -5.171 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.791 -6.055 7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.727 -5.715 5.989 1.00 0.00 H new ATOM 493 N PHE A 30 1.464 -3.211 4.929 1.00 0.00 N ATOM 494 CA PHE A 30 1.870 -2.284 3.860 1.00 0.00 C ATOM 495 C PHE A 30 1.291 -0.881 4.070 1.00 0.00 C ATOM 496 O PHE A 30 2.022 0.113 3.969 1.00 0.00 O ATOM 497 CB PHE A 30 1.457 -2.837 2.487 1.00 0.00 C ATOM 498 CG PHE A 30 2.488 -3.854 2.024 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.625 -3.426 1.322 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.316 -5.215 2.303 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.583 -4.355 0.903 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.273 -6.144 1.881 1.00 0.00 C ATOM 503 CZ PHE A 30 4.407 -5.715 1.182 1.00 0.00 C ATOM 0 H PHE A 30 0.951 -4.032 4.609 1.00 0.00 H new ATOM 0 HA PHE A 30 2.956 -2.197 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.473 -3.302 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.380 -2.025 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.761 -2.377 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.443 -5.548 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.458 -4.023 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.137 -7.194 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.146 -6.433 0.858 1.00 0.00 H new ATOM 513 N ILE A 31 -0.010 -0.793 4.373 1.00 0.00 N ATOM 514 CA ILE A 31 -0.640 0.510 4.602 1.00 0.00 C ATOM 515 C ILE A 31 0.044 1.232 5.774 1.00 0.00 C ATOM 516 O ILE A 31 0.237 2.448 5.728 1.00 0.00 O ATOM 517 CB ILE A 31 -2.159 0.347 4.835 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.805 -0.151 3.517 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.773 1.698 5.252 1.00 0.00 C ATOM 520 CD1 ILE A 31 -4.329 -0.314 3.661 1.00 0.00 C ATOM 0 H ILE A 31 -0.636 -1.593 4.464 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.513 1.127 3.712 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.342 -0.374 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.588 0.555 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.362 -1.105 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.844 1.576 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.303 2.042 6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.607 2.432 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.748 -0.664 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.545 -1.039 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.775 0.646 3.922 1.00 0.00 H new ATOM 532 N ARG A 32 0.436 0.473 6.802 1.00 0.00 N ATOM 533 CA ARG A 32 1.138 1.052 7.952 1.00 0.00 C ATOM 534 C ARG A 32 2.548 1.491 7.533 1.00 0.00 C ATOM 535 O ARG A 32 3.056 2.525 7.988 1.00 0.00 O ATOM 536 CB ARG A 32 1.222 0.026 9.095 1.00 0.00 C ATOM 537 CG ARG A 32 1.828 0.683 10.347 1.00 0.00 C ATOM 538 CD ARG A 32 1.941 -0.352 11.474 1.00 0.00 C ATOM 539 NE ARG A 32 2.404 0.292 12.707 1.00 0.00 N ATOM 540 CZ ARG A 32 2.557 -0.388 13.848 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.299 -1.666 13.903 1.00 0.00 N ATOM 542 NH2 ARG A 32 2.969 0.232 14.916 1.00 0.00 N ATOM 0 H ARG A 32 0.281 -0.533 6.862 1.00 0.00 H new ATOM 0 HA ARG A 32 0.584 1.922 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.228 -0.361 9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.832 -0.824 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.812 1.090 10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.205 1.518 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.973 -0.824 11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.635 -1.142 11.185 1.00 0.00 H new ATOM 0 HE ARG A 32 2.616 1.290 12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.977 -2.158 13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.420 -2.173 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.173 1.231 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.088 -0.281 15.790 1.00 0.00 H new ATOM 556 N SER A 33 3.173 0.682 6.663 1.00 0.00 N ATOM 557 CA SER A 33 4.527 0.964 6.176 1.00 0.00 C ATOM 558 C SER A 33 4.601 2.320 5.469 1.00 0.00 C ATOM 559 O SER A 33 5.637 2.986 5.527 1.00 0.00 O ATOM 560 CB SER A 33 5.000 -0.139 5.225 1.00 0.00 C ATOM 561 OG SER A 33 4.987 -1.388 5.906 1.00 0.00 O ATOM 0 H SER A 33 2.761 -0.171 6.285 1.00 0.00 H new ATOM 0 HA SER A 33 5.183 0.995 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.352 -0.183 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.005 0.082 4.866 1.00 0.00 H new ATOM 0 HG SER A 33 4.062 -1.691 6.015 1.00 0.00 H new ATOM 567 N LEU A 34 3.508 2.722 4.796 1.00 0.00 N ATOM 568 CA LEU A 34 3.479 4.014 4.081 1.00 0.00 C ATOM 569 C LEU A 34 3.930 5.147 5.011 1.00 0.00 C ATOM 570 O LEU A 34 4.889 5.867 4.712 1.00 0.00 O ATOM 571 CB LEU A 34 2.052 4.317 3.569 1.00 0.00 C ATOM 572 CG LEU A 34 1.922 4.051 2.056 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.915 4.927 1.271 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.177 2.562 1.760 1.00 0.00 C ATOM 0 H LEU A 34 2.645 2.182 4.731 1.00 0.00 H new ATOM 0 HA LEU A 34 4.160 3.947 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.333 3.702 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.803 5.357 3.779 1.00 0.00 H new ATOM 0 HG LEU A 34 0.910 4.306 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.811 4.728 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.705 5.979 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.932 4.695 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.083 2.383 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.182 2.293 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.447 1.954 2.295 1.00 0.00 H new ATOM 586 N TYR A 35 3.235 5.277 6.143 1.00 0.00 N ATOM 587 CA TYR A 35 3.556 6.304 7.134 1.00 0.00 C ATOM 588 C TYR A 35 4.963 6.077 7.693 1.00 0.00 C ATOM 589 O TYR A 35 5.698 7.035 7.949 1.00 0.00 O ATOM 590 CB TYR A 35 2.524 6.265 8.273 1.00 0.00 C ATOM 591 CG TYR A 35 2.765 7.415 9.235 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.228 8.682 8.964 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.528 7.214 10.394 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.453 9.742 9.850 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.751 8.276 11.279 1.00 0.00 C ATOM 596 CZ TYR A 35 3.213 9.540 11.007 1.00 0.00 C ATOM 597 OH TYR A 35 3.435 10.586 11.879 1.00 0.00 O ATOM 0 H TYR A 35 2.445 4.683 6.396 1.00 0.00 H new ATOM 0 HA TYR A 35 3.524 7.283 6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.516 6.329 7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.593 5.316 8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.641 8.840 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.944 6.240 10.604 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.039 10.717 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.338 8.120 12.172 1.00 0.00 H new ATOM 0 HH TYR A 35 3.981 10.275 12.631 1.00 0.00 H new ATOM 607 N ASP A 36 5.314 4.802 7.897 1.00 0.00 N ATOM 608 CA ASP A 36 6.622 4.436 8.447 1.00 0.00 C ATOM 609 C ASP A 36 7.776 4.969 7.588 1.00 0.00 C ATOM 610 O ASP A 36 8.814 5.361 8.127 1.00 0.00 O ATOM 611 CB ASP A 36 6.730 2.912 8.564 1.00 0.00 C ATOM 612 CG ASP A 36 7.975 2.537 9.372 1.00 0.00 C ATOM 613 OD1 ASP A 36 7.890 2.537 10.591 1.00 0.00 O ATOM 614 OD2 ASP A 36 8.995 2.258 8.762 1.00 0.00 O ATOM 0 H ASP A 36 4.710 4.007 7.689 1.00 0.00 H new ATOM 0 HA ASP A 36 6.702 4.892 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.839 2.512 9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.782 2.465 7.571 1.00 0.00 H new ATOM 619 N ASP A 37 7.597 4.975 6.258 1.00 0.00 N ATOM 620 CA ASP A 37 8.650 5.458 5.353 1.00 0.00 C ATOM 621 C ASP A 37 8.077 5.788 3.961 1.00 0.00 C ATOM 622 O ASP A 37 8.150 4.968 3.039 1.00 0.00 O ATOM 623 CB ASP A 37 9.763 4.397 5.236 1.00 0.00 C ATOM 624 CG ASP A 37 10.925 4.913 4.380 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.412 6.001 4.653 1.00 0.00 O ATOM 626 OD2 ASP A 37 11.324 4.202 3.475 1.00 0.00 O ATOM 0 H ASP A 37 6.748 4.656 5.792 1.00 0.00 H new ATOM 0 HA ASP A 37 9.069 6.375 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.127 4.135 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.358 3.486 4.795 1.00 0.00 H new ATOM 631 N PRO A 38 7.511 6.971 3.793 1.00 0.00 N ATOM 632 CA PRO A 38 6.919 7.411 2.486 1.00 0.00 C ATOM 633 C PRO A 38 7.924 7.363 1.329 1.00 0.00 C ATOM 634 O PRO A 38 7.531 7.365 0.159 1.00 0.00 O ATOM 635 CB PRO A 38 6.470 8.856 2.748 1.00 0.00 C ATOM 636 CG PRO A 38 6.349 8.981 4.230 1.00 0.00 C ATOM 637 CD PRO A 38 7.371 8.019 4.826 1.00 0.00 C ATOM 0 HA PRO A 38 6.108 6.751 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.194 9.568 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.519 9.065 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.545 10.004 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.341 8.731 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.321 8.516 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.026 7.604 5.773 1.00 0.00 H new ATOM 645 N SER A 39 9.217 7.340 1.670 1.00 0.00 N ATOM 646 CA SER A 39 10.283 7.316 0.664 1.00 0.00 C ATOM 647 C SER A 39 10.155 6.118 -0.283 1.00 0.00 C ATOM 648 O SER A 39 10.488 6.234 -1.466 1.00 0.00 O ATOM 649 CB SER A 39 11.652 7.281 1.353 1.00 0.00 C ATOM 650 OG SER A 39 12.678 7.487 0.386 1.00 0.00 O ATOM 0 H SER A 39 9.550 7.338 2.634 1.00 0.00 H new ATOM 0 HA SER A 39 10.188 8.224 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.703 8.051 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.795 6.322 1.852 1.00 0.00 H new ATOM 0 HG SER A 39 13.553 7.466 0.828 1.00 0.00 H new ATOM 656 N GLN A 40 9.683 4.976 0.236 1.00 0.00 N ATOM 657 CA GLN A 40 9.528 3.768 -0.586 1.00 0.00 C ATOM 658 C GLN A 40 8.054 3.518 -0.926 1.00 0.00 C ATOM 659 O GLN A 40 7.684 2.409 -1.311 1.00 0.00 O ATOM 660 CB GLN A 40 10.129 2.556 0.145 1.00 0.00 C ATOM 661 CG GLN A 40 9.386 2.280 1.459 1.00 0.00 C ATOM 662 CD GLN A 40 10.055 1.140 2.233 1.00 0.00 C ATOM 663 OE1 GLN A 40 9.704 0.885 3.385 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.000 0.435 1.670 1.00 0.00 N ATOM 0 H GLN A 40 9.405 4.863 1.211 1.00 0.00 H new ATOM 0 HA GLN A 40 10.064 3.917 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.077 1.677 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.184 2.738 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.372 3.182 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.348 2.022 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.293 0.644 0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.445 -0.325 2.185 1.00 0.00 H new ATOM 673 N SER A 41 7.219 4.557 -0.782 1.00 0.00 N ATOM 674 CA SER A 41 5.778 4.444 -1.062 1.00 0.00 C ATOM 675 C SER A 41 5.496 3.832 -2.428 1.00 0.00 C ATOM 676 O SER A 41 4.560 3.041 -2.571 1.00 0.00 O ATOM 677 CB SER A 41 5.124 5.819 -1.011 1.00 0.00 C ATOM 678 OG SER A 41 5.824 6.713 -1.870 1.00 0.00 O ATOM 0 H SER A 41 7.514 5.483 -0.474 1.00 0.00 H new ATOM 0 HA SER A 41 5.364 3.788 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.080 5.748 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.132 6.199 0.011 1.00 0.00 H new ATOM 0 HG SER A 41 6.557 7.135 -1.375 1.00 0.00 H new ATOM 684 N ALA A 42 6.301 4.200 -3.419 1.00 0.00 N ATOM 685 CA ALA A 42 6.124 3.672 -4.768 1.00 0.00 C ATOM 686 C ALA A 42 6.382 2.167 -4.776 1.00 0.00 C ATOM 687 O ALA A 42 5.690 1.404 -5.460 1.00 0.00 O ATOM 688 CB ALA A 42 7.097 4.362 -5.730 1.00 0.00 C ATOM 0 H ALA A 42 7.076 4.856 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 42 5.101 3.864 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.959 3.963 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.904 5.435 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.121 4.180 -5.404 1.00 0.00 H new ATOM 694 N ASN A 43 7.392 1.760 -4.003 1.00 0.00 N ATOM 695 CA ASN A 43 7.769 0.350 -3.910 1.00 0.00 C ATOM 696 C ASN A 43 6.693 -0.461 -3.195 1.00 0.00 C ATOM 697 O ASN A 43 6.330 -1.539 -3.647 1.00 0.00 O ATOM 698 CB ASN A 43 9.090 0.198 -3.139 1.00 0.00 C ATOM 699 CG ASN A 43 10.221 0.998 -3.789 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.142 1.379 -4.958 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.282 1.268 -3.084 1.00 0.00 N ATOM 0 H ASN A 43 7.961 2.386 -3.434 1.00 0.00 H new ATOM 0 HA ASN A 43 7.885 -0.024 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.952 0.533 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.367 -0.855 -3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.050 1.796 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.345 0.952 -2.116 1.00 0.00 H new ATOM 708 N LEU A 44 6.209 0.062 -2.066 1.00 0.00 N ATOM 709 CA LEU A 44 5.188 -0.631 -1.266 1.00 0.00 C ATOM 710 C LEU A 44 3.937 -0.921 -2.094 1.00 0.00 C ATOM 711 O LEU A 44 3.406 -2.032 -2.050 1.00 0.00 O ATOM 712 CB LEU A 44 4.795 0.231 -0.067 1.00 0.00 C ATOM 713 CG LEU A 44 6.028 0.569 0.798 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.644 1.576 1.890 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.588 -0.697 1.462 1.00 0.00 C ATOM 0 H LEU A 44 6.504 0.960 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 44 5.615 -1.576 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.326 1.152 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.056 -0.295 0.537 1.00 0.00 H new ATOM 0 HG LEU A 44 6.790 1.000 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.520 1.808 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.270 2.489 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.868 1.147 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.457 -0.437 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.823 -1.143 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.882 -1.411 0.693 1.00 0.00 H new ATOM 727 N LEU A 45 3.471 0.082 -2.851 1.00 0.00 N ATOM 728 CA LEU A 45 2.282 -0.080 -3.699 1.00 0.00 C ATOM 729 C LEU A 45 2.525 -1.186 -4.728 1.00 0.00 C ATOM 730 O LEU A 45 1.708 -2.103 -4.883 1.00 0.00 O ATOM 731 CB LEU A 45 1.972 1.254 -4.403 1.00 0.00 C ATOM 732 CG LEU A 45 0.896 1.077 -5.500 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.422 0.582 -4.886 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.657 2.420 -6.204 1.00 0.00 C ATOM 0 H LEU A 45 3.896 1.008 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 45 1.428 -0.363 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.629 1.983 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.884 1.653 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 45 1.248 0.338 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.168 0.463 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.257 -0.377 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.778 1.308 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.101 2.296 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.316 3.157 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.586 2.763 -6.659 1.00 0.00 H new ATOM 746 N ALA A 46 3.669 -1.091 -5.405 1.00 0.00 N ATOM 747 CA ALA A 46 4.049 -2.091 -6.409 1.00 0.00 C ATOM 748 C ALA A 46 4.189 -3.464 -5.747 1.00 0.00 C ATOM 749 O ALA A 46 3.764 -4.483 -6.299 1.00 0.00 O ATOM 750 CB ALA A 46 5.378 -1.696 -7.063 1.00 0.00 C ATOM 0 H ALA A 46 4.346 -0.338 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 46 3.274 -2.138 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.654 -2.443 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.271 -0.725 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.156 -1.639 -6.301 1.00 0.00 H new ATOM 756 N GLU A 47 4.777 -3.463 -4.549 1.00 0.00 N ATOM 757 CA GLU A 47 4.976 -4.682 -3.772 1.00 0.00 C ATOM 758 C GLU A 47 3.635 -5.294 -3.378 1.00 0.00 C ATOM 759 O GLU A 47 3.469 -6.516 -3.412 1.00 0.00 O ATOM 760 CB GLU A 47 5.791 -4.358 -2.509 1.00 0.00 C ATOM 761 CG GLU A 47 7.292 -4.256 -2.853 1.00 0.00 C ATOM 762 CD GLU A 47 7.851 -5.626 -3.260 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.764 -6.549 -2.463 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.360 -5.737 -4.366 1.00 0.00 O ATOM 0 H GLU A 47 5.126 -2.620 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 47 5.518 -5.403 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.445 -3.419 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.635 -5.133 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.436 -3.543 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.842 -3.875 -1.993 1.00 0.00 H new ATOM 771 N ALA A 48 2.676 -4.438 -3.017 1.00 0.00 N ATOM 772 CA ALA A 48 1.346 -4.908 -2.636 1.00 0.00 C ATOM 773 C ALA A 48 0.684 -5.575 -3.835 1.00 0.00 C ATOM 774 O ALA A 48 0.034 -6.615 -3.706 1.00 0.00 O ATOM 775 CB ALA A 48 0.489 -3.733 -2.152 1.00 0.00 C ATOM 0 H ALA A 48 2.795 -3.426 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 48 1.439 -5.629 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.500 -4.095 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.964 -3.268 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.392 -2.999 -2.952 1.00 0.00 H new ATOM 781 N LYS A 49 0.881 -4.973 -5.009 1.00 0.00 N ATOM 782 CA LYS A 49 0.325 -5.516 -6.242 1.00 0.00 C ATOM 783 C LYS A 49 0.968 -6.873 -6.535 1.00 0.00 C ATOM 784 O LYS A 49 0.306 -7.796 -7.014 1.00 0.00 O ATOM 785 CB LYS A 49 0.587 -4.552 -7.408 1.00 0.00 C ATOM 786 CG LYS A 49 -0.555 -4.647 -8.432 1.00 0.00 C ATOM 787 CD LYS A 49 -0.130 -3.975 -9.744 1.00 0.00 C ATOM 788 CE LYS A 49 -1.355 -3.387 -10.452 1.00 0.00 C ATOM 789 NZ LYS A 49 -0.975 -2.960 -11.830 1.00 0.00 N ATOM 0 H LYS A 49 1.419 -4.114 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.751 -5.642 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.669 -3.531 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.536 -4.795 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.808 -5.692 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.450 -4.165 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.596 -3.187 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.361 -4.701 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.153 -4.128 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.740 -2.537 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.806 -2.561 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.227 -2.240 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.627 -3.782 -12.364 1.00 0.00 H new ATOM 803 N LYS A 50 2.272 -6.975 -6.236 1.00 0.00 N ATOM 804 CA LYS A 50 3.025 -8.207 -6.455 1.00 0.00 C ATOM 805 C LYS A 50 2.408 -9.353 -5.653 1.00 0.00 C ATOM 806 O LYS A 50 2.252 -10.466 -6.165 1.00 0.00 O ATOM 807 CB LYS A 50 4.481 -7.991 -6.024 1.00 0.00 C ATOM 808 CG LYS A 50 5.348 -9.176 -6.474 1.00 0.00 C ATOM 809 CD LYS A 50 6.828 -8.876 -6.183 1.00 0.00 C ATOM 810 CE LYS A 50 7.130 -9.080 -4.692 1.00 0.00 C ATOM 811 NZ LYS A 50 8.529 -8.649 -4.405 1.00 0.00 N ATOM 0 H LYS A 50 2.823 -6.213 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 50 2.992 -8.467 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.863 -7.066 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.535 -7.882 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.041 -10.082 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.207 -9.359 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.463 -9.529 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.062 -7.851 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.429 -8.505 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.999 -10.128 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.757 -8.850 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.186 -9.168 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.621 -7.628 -4.582 1.00 0.00 H new ATOM 825 N LEU A 51 2.048 -9.061 -4.399 1.00 0.00 N ATOM 826 CA LEU A 51 1.428 -10.057 -3.526 1.00 0.00 C ATOM 827 C LEU A 51 0.084 -10.494 -4.106 1.00 0.00 C ATOM 828 O LEU A 51 -0.230 -11.687 -4.131 1.00 0.00 O ATOM 829 CB LEU A 51 1.241 -9.467 -2.119 1.00 0.00 C ATOM 830 CG LEU A 51 2.610 -9.315 -1.432 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.451 -8.505 -0.141 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.189 -10.702 -1.099 1.00 0.00 C ATOM 0 H LEU A 51 2.176 -8.145 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 51 2.076 -10.931 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.747 -8.498 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.596 -10.115 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 51 3.290 -8.796 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.422 -8.399 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.053 -7.518 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.765 -9.021 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.158 -10.585 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.509 -11.229 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.311 -11.276 -2.018 1.00 0.00 H new ATOM 844 N ASN A 52 -0.689 -9.518 -4.589 1.00 0.00 N ATOM 845 CA ASN A 52 -1.991 -9.798 -5.196 1.00 0.00 C ATOM 846 C ASN A 52 -1.821 -10.687 -6.425 1.00 0.00 C ATOM 847 O ASN A 52 -2.527 -11.684 -6.580 1.00 0.00 O ATOM 848 CB ASN A 52 -2.667 -8.474 -5.593 1.00 0.00 C ATOM 849 CG ASN A 52 -3.880 -8.717 -6.497 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.781 -8.588 -7.717 1.00 0.00 O ATOM 851 ND2 ASN A 52 -5.019 -9.059 -5.972 1.00 0.00 N ATOM 0 H ASN A 52 -0.436 -8.530 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.617 -10.321 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.981 -7.940 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.949 -7.837 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.829 -9.220 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.103 -9.166 -4.961 1.00 0.00 H new ATOM 858 N ASP A 53 -0.882 -10.306 -7.291 1.00 0.00 N ATOM 859 CA ASP A 53 -0.617 -11.059 -8.518 1.00 0.00 C ATOM 860 C ASP A 53 -0.163 -12.484 -8.213 1.00 0.00 C ATOM 861 O ASP A 53 -0.516 -13.419 -8.936 1.00 0.00 O ATOM 862 CB ASP A 53 0.464 -10.344 -9.338 1.00 0.00 C ATOM 863 CG ASP A 53 0.638 -11.016 -10.704 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.126 -10.699 -11.601 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.529 -11.841 -10.830 1.00 0.00 O ATOM 0 H ASP A 53 -0.293 -9.482 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.545 -11.112 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.192 -9.297 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.409 -10.360 -8.796 1.00 0.00 H new ATOM 870 N ALA A 54 0.648 -12.636 -7.163 1.00 0.00 N ATOM 871 CA ALA A 54 1.177 -13.948 -6.802 1.00 0.00 C ATOM 872 C ALA A 54 0.133 -14.827 -6.098 1.00 0.00 C ATOM 873 O ALA A 54 -0.073 -15.980 -6.484 1.00 0.00 O ATOM 874 CB ALA A 54 2.400 -13.776 -5.894 1.00 0.00 C ATOM 0 H ALA A 54 0.949 -11.874 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 54 1.458 -14.452 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.794 -14.756 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.167 -13.208 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.109 -13.241 -4.990 1.00 0.00 H new ATOM 880 N GLN A 55 -0.499 -14.282 -5.054 1.00 0.00 N ATOM 881 CA GLN A 55 -1.503 -15.029 -4.278 1.00 0.00 C ATOM 882 C GLN A 55 -2.754 -15.341 -5.104 1.00 0.00 C ATOM 883 O GLN A 55 -3.450 -16.321 -4.827 1.00 0.00 O ATOM 884 CB GLN A 55 -1.909 -14.234 -3.025 1.00 0.00 C ATOM 885 CG GLN A 55 -0.710 -14.076 -2.080 1.00 0.00 C ATOM 886 CD GLN A 55 -1.008 -12.976 -1.067 1.00 0.00 C ATOM 887 OE1 GLN A 55 -0.907 -13.190 0.141 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.374 -11.803 -1.501 1.00 0.00 N ATOM 0 H GLN A 55 -0.337 -13.330 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.043 -15.974 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.284 -13.252 -3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.722 -14.746 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.512 -15.016 -1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.186 -13.829 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.456 -11.633 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.579 -11.055 -0.838 1.00 0.00 H new ATOM 897 N ALA A 56 -3.048 -14.491 -6.095 1.00 0.00 N ATOM 898 CA ALA A 56 -4.237 -14.672 -6.936 1.00 0.00 C ATOM 899 C ALA A 56 -4.255 -16.060 -7.600 1.00 0.00 C ATOM 900 O ALA A 56 -3.202 -16.591 -7.965 1.00 0.00 O ATOM 901 CB ALA A 56 -4.283 -13.589 -8.017 1.00 0.00 C ATOM 0 H ALA A 56 -2.483 -13.676 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.113 -14.591 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.168 -13.731 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.323 -12.607 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.390 -13.657 -8.639 1.00 0.00 H new ATOM 907 N PRO A 57 -5.432 -16.647 -7.761 1.00 0.00 N ATOM 908 CA PRO A 57 -5.591 -17.995 -8.394 1.00 0.00 C ATOM 909 C PRO A 57 -5.376 -17.955 -9.909 1.00 0.00 C ATOM 910 O PRO A 57 -5.591 -16.921 -10.549 1.00 0.00 O ATOM 911 CB PRO A 57 -7.031 -18.390 -8.049 1.00 0.00 C ATOM 912 CG PRO A 57 -7.760 -17.100 -7.875 1.00 0.00 C ATOM 913 CD PRO A 57 -6.740 -16.085 -7.363 1.00 0.00 C ATOM 0 HA PRO A 57 -4.852 -18.708 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.476 -18.990 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.068 -18.989 -7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.194 -16.770 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.582 -17.212 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.901 -15.102 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.808 -15.964 -6.282 1.00 0.00 H new ATOM 921 N LYS A 58 -4.958 -19.096 -10.466 1.00 0.00 N ATOM 922 CA LYS A 58 -4.710 -19.220 -11.908 1.00 0.00 C ATOM 923 C LYS A 58 -5.833 -20.022 -12.577 1.00 0.00 C ATOM 924 O LYS A 58 -6.095 -21.128 -12.130 1.00 0.00 O ATOM 925 CB LYS A 58 -3.362 -19.917 -12.150 1.00 0.00 C ATOM 926 CG LYS A 58 -2.215 -19.033 -11.632 1.00 0.00 C ATOM 927 CD LYS A 58 -0.864 -19.691 -11.949 1.00 0.00 C ATOM 928 CE LYS A 58 0.276 -18.850 -11.360 1.00 0.00 C ATOM 929 NZ LYS A 58 1.532 -19.654 -11.348 1.00 0.00 N ATOM 930 OXT LYS A 58 -6.413 -19.519 -13.528 1.00 0.00 O ATOM 0 H LYS A 58 -4.783 -19.951 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.683 -18.221 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.346 -20.882 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.230 -20.113 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.267 -18.047 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.314 -18.886 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.835 -20.699 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.739 -19.784 -13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.417 -17.945 -11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.024 -18.534 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.305 -19.084 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.394 -20.505 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.774 -19.934 -12.320 1.00 0.00 H new TER 944 LYS A 58