USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 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= -4.29! C(o=-6.6!,f=-4.7!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.34! K(o=-6.6!,f=-4.7) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.3! C(o=-4.4!,f=-0.72!) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.15! K(o=-4.4!,f=0.075) USER MOD Single : A 1 VAL N :NH3+ -139:sc= -0.0663 (180deg=-0.663) USER MOD Single : A 3 ASN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.117) USER MOD Single : A 6 ASN : amide:sc= -0.528 K(o=-0.53,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -164:sc= -0.236 (180deg=-0.96) USER MOD Single : A 11 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.8) USER MOD Single : A 24 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 88:sc= 1.27 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 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -88:sc= 0.562 USER MOD Single : A 43 ASN : amide:sc=-0.00345 K(o=-0.0034,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 0.675 (180deg=0.332) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 2.52 (180deg=-0.355) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.763 -13.408 -13.809 1.00 0.00 N ATOM 2 CA VAL A 1 9.630 -12.505 -14.162 1.00 0.00 C ATOM 3 C VAL A 1 9.535 -12.398 -15.688 1.00 0.00 C ATOM 4 O VAL A 1 10.220 -11.577 -16.306 1.00 0.00 O ATOM 5 CB VAL A 1 9.862 -11.110 -13.539 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.664 -10.198 -13.844 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.027 -11.233 -12.015 1.00 0.00 C ATOM 0 H1 VAL A 1 10.483 -14.023 -13.019 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.010 -13.993 -14.633 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.587 -12.838 -13.529 1.00 0.00 H new ATOM 0 HA VAL A 1 8.696 -12.909 -13.770 1.00 0.00 H new ATOM 0 HB VAL A 1 10.768 -10.682 -13.968 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.833 -9.216 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.550 -10.096 -14.923 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.758 -10.634 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.190 -10.244 -11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.126 -11.671 -11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.882 -11.871 -11.792 1.00 0.00 H new ATOM 17 N ASP A 2 8.685 -13.239 -16.289 1.00 0.00 N ATOM 18 CA ASP A 2 8.512 -13.228 -17.741 1.00 0.00 C ATOM 19 C ASP A 2 7.876 -11.907 -18.184 1.00 0.00 C ATOM 20 O ASP A 2 8.523 -11.099 -18.857 1.00 0.00 O ATOM 21 CB ASP A 2 7.643 -14.419 -18.176 1.00 0.00 C ATOM 22 CG ASP A 2 7.665 -14.559 -19.699 1.00 0.00 C ATOM 23 OD1 ASP A 2 8.616 -15.133 -20.207 1.00 0.00 O ATOM 24 OD2 ASP A 2 6.736 -14.091 -20.335 1.00 0.00 O ATOM 0 H ASP A 2 8.114 -13.927 -15.797 1.00 0.00 H new ATOM 0 HA ASP A 2 9.488 -13.319 -18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.011 -15.335 -17.714 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.619 -14.277 -17.831 1.00 0.00 H new ATOM 29 N ASN A 3 6.614 -11.687 -17.786 1.00 0.00 N ATOM 30 CA ASN A 3 5.901 -10.450 -18.126 1.00 0.00 C ATOM 31 C ASN A 3 6.120 -9.395 -17.037 1.00 0.00 C ATOM 32 O ASN A 3 6.682 -8.329 -17.300 1.00 0.00 O ATOM 33 CB ASN A 3 4.395 -10.734 -18.278 1.00 0.00 C ATOM 34 CG ASN A 3 4.066 -11.153 -19.712 1.00 0.00 C ATOM 35 OD1 ASN A 3 3.171 -10.583 -20.336 1.00 0.00 O ATOM 36 ND2 ASN A 3 4.735 -12.119 -20.275 1.00 0.00 N ATOM 0 H ASN A 3 6.070 -12.347 -17.231 1.00 0.00 H new ATOM 0 HA ASN A 3 6.292 -10.071 -19.070 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.097 -11.522 -17.586 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.824 -9.844 -18.014 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.517 -12.401 -21.231 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.477 -12.593 -19.760 1.00 0.00 H new ATOM 43 N LYS A 4 5.677 -9.716 -15.813 1.00 0.00 N ATOM 44 CA LYS A 4 5.818 -8.813 -14.662 1.00 0.00 C ATOM 45 C LYS A 4 5.341 -9.519 -13.383 1.00 0.00 C ATOM 46 O LYS A 4 4.505 -10.425 -13.447 1.00 0.00 O ATOM 47 CB LYS A 4 5.007 -7.526 -14.889 1.00 0.00 C ATOM 48 CG LYS A 4 5.452 -6.447 -13.890 1.00 0.00 C ATOM 49 CD LYS A 4 4.708 -5.135 -14.171 1.00 0.00 C ATOM 50 CE LYS A 4 5.332 -4.003 -13.348 1.00 0.00 C ATOM 51 NZ LYS A 4 4.675 -2.711 -13.701 1.00 0.00 N ATOM 0 H LYS A 4 5.216 -10.599 -15.594 1.00 0.00 H new ATOM 0 HA LYS A 4 6.869 -8.546 -14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.150 -7.171 -15.910 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.943 -7.730 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.251 -6.778 -12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.528 -6.289 -13.968 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.759 -4.897 -15.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.653 -5.242 -13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.213 -4.205 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.403 -3.944 -13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.205 -1.924 -13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.661 -2.600 -14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.700 -2.707 -13.340 1.00 0.00 H new ATOM 65 N PHE A 5 5.886 -9.107 -12.228 1.00 0.00 N ATOM 66 CA PHE A 5 5.517 -9.719 -10.940 1.00 0.00 C ATOM 67 C PHE A 5 4.191 -9.163 -10.402 1.00 0.00 C ATOM 68 O PHE A 5 4.106 -8.681 -9.270 1.00 0.00 O ATOM 69 CB PHE A 5 6.658 -9.556 -9.908 1.00 0.00 C ATOM 70 CG PHE A 5 7.156 -8.122 -9.855 1.00 0.00 C ATOM 71 CD1 PHE A 5 8.090 -7.673 -10.798 1.00 0.00 C ATOM 72 CD2 PHE A 5 6.697 -7.247 -8.858 1.00 0.00 C ATOM 73 CE1 PHE A 5 8.561 -6.356 -10.749 1.00 0.00 C ATOM 74 CE2 PHE A 5 7.171 -5.931 -8.809 1.00 0.00 C ATOM 75 CZ PHE A 5 8.103 -5.487 -9.755 1.00 0.00 C ATOM 0 H PHE A 5 6.577 -8.360 -12.158 1.00 0.00 H new ATOM 0 HA PHE A 5 5.367 -10.785 -11.113 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.304 -9.857 -8.922 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.483 -10.220 -10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.447 -8.345 -11.564 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.978 -7.589 -8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.278 -6.011 -11.479 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.818 -5.258 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.468 -4.471 -9.716 1.00 0.00 H new ATOM 85 N ASN A 6 3.151 -9.262 -11.234 1.00 0.00 N ATOM 86 CA ASN A 6 1.811 -8.795 -10.864 1.00 0.00 C ATOM 87 C ASN A 6 1.213 -9.664 -9.749 1.00 0.00 C ATOM 88 O ASN A 6 0.527 -9.159 -8.859 1.00 0.00 O ATOM 89 CB ASN A 6 0.887 -8.844 -12.091 1.00 0.00 C ATOM 90 CG ASN A 6 1.463 -8.003 -13.231 1.00 0.00 C ATOM 91 OD1 ASN A 6 1.799 -6.834 -13.038 1.00 0.00 O ATOM 92 ND2 ASN A 6 1.601 -8.535 -14.414 1.00 0.00 N ATOM 0 H ASN A 6 3.211 -9.662 -12.170 1.00 0.00 H new ATOM 0 HA ASN A 6 1.897 -7.771 -10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.764 -9.876 -12.419 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.103 -8.474 -11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.987 -7.983 -15.180 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.323 -9.503 -14.573 1.00 0.00 H new ATOM 99 N LYS A 7 1.460 -10.975 -9.825 1.00 0.00 N ATOM 100 CA LYS A 7 0.925 -11.924 -8.840 1.00 0.00 C ATOM 101 C LYS A 7 1.407 -11.625 -7.416 1.00 0.00 C ATOM 102 O LYS A 7 0.633 -11.734 -6.460 1.00 0.00 O ATOM 103 CB LYS A 7 1.316 -13.347 -9.229 1.00 0.00 C ATOM 104 CG LYS A 7 0.520 -13.735 -10.475 1.00 0.00 C ATOM 105 CD LYS A 7 0.675 -15.226 -10.760 1.00 0.00 C ATOM 106 CE LYS A 7 -0.248 -15.598 -11.919 1.00 0.00 C ATOM 107 NZ LYS A 7 0.485 -15.458 -13.209 1.00 0.00 N ATOM 0 H LYS A 7 2.026 -11.404 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.160 -11.818 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.386 -13.407 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.104 -14.037 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.533 -13.493 -10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.867 -13.156 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.710 -15.458 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.424 -15.809 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.602 -16.622 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.127 -14.954 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.146 -15.712 -13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.802 -14.474 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.311 -16.090 -13.209 1.00 0.00 H new ATOM 121 N GLU A 8 2.686 -11.268 -7.282 1.00 0.00 N ATOM 122 CA GLU A 8 3.274 -10.974 -5.967 1.00 0.00 C ATOM 123 C GLU A 8 2.580 -9.789 -5.292 1.00 0.00 C ATOM 124 O GLU A 8 2.492 -9.736 -4.063 1.00 0.00 O ATOM 125 CB GLU A 8 4.775 -10.667 -6.124 1.00 0.00 C ATOM 126 CG GLU A 8 5.535 -11.908 -6.640 1.00 0.00 C ATOM 127 CD GLU A 8 5.374 -13.099 -5.687 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.615 -12.932 -4.500 1.00 0.00 O ATOM 129 OE2 GLU A 8 5.026 -14.164 -6.163 1.00 0.00 O ATOM 0 H GLU A 8 3.335 -11.175 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 8 3.136 -11.852 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.911 -9.837 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.189 -10.353 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.164 -12.178 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.593 -11.669 -6.751 1.00 0.00 H new ATOM 136 N MET A 9 2.107 -8.840 -6.103 1.00 0.00 N ATOM 137 CA MET A 9 1.437 -7.641 -5.588 1.00 0.00 C ATOM 138 C MET A 9 0.222 -7.998 -4.733 1.00 0.00 C ATOM 139 O MET A 9 -0.131 -7.249 -3.821 1.00 0.00 O ATOM 140 CB MET A 9 1.019 -6.735 -6.753 1.00 0.00 C ATOM 141 CG MET A 9 2.278 -6.242 -7.473 1.00 0.00 C ATOM 142 SD MET A 9 1.826 -5.227 -8.897 1.00 0.00 S ATOM 143 CE MET A 9 3.517 -4.942 -9.475 1.00 0.00 C ATOM 0 H MET A 9 2.175 -8.878 -7.120 1.00 0.00 H new ATOM 0 HA MET A 9 2.143 -7.109 -4.951 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.378 -7.282 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.440 -5.889 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.895 -5.663 -6.786 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.876 -7.093 -7.799 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.525 -4.110 -10.180 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.157 -4.704 -8.625 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.889 -5.840 -9.969 1.00 0.00 H new ATOM 153 N ARG A 10 -0.411 -9.146 -5.023 1.00 0.00 N ATOM 154 CA ARG A 10 -1.588 -9.598 -4.259 1.00 0.00 C ATOM 155 C ARG A 10 -1.260 -9.705 -2.761 1.00 0.00 C ATOM 156 O ARG A 10 -2.114 -9.446 -1.909 1.00 0.00 O ATOM 157 CB ARG A 10 -2.063 -10.968 -4.775 1.00 0.00 C ATOM 158 CG ARG A 10 -2.551 -10.846 -6.228 1.00 0.00 C ATOM 159 CD ARG A 10 -3.103 -12.195 -6.705 1.00 0.00 C ATOM 160 NE ARG A 10 -3.396 -12.144 -8.140 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.849 -13.208 -8.810 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.052 -14.344 -8.198 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.092 -13.110 -10.085 1.00 0.00 N ATOM 0 H ARG A 10 -0.131 -9.775 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.380 -8.862 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.248 -11.690 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.868 -11.344 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.324 -10.081 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.730 -10.530 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.379 -12.984 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.008 -12.442 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.250 -11.269 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.865 -14.426 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.398 -15.149 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.937 -12.225 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.438 -13.918 -10.602 1.00 0.00 H new ATOM 177 N ASN A 11 -0.012 -10.078 -2.463 1.00 0.00 N ATOM 178 CA ASN A 11 0.448 -10.211 -1.079 1.00 0.00 C ATOM 179 C ASN A 11 0.366 -8.868 -0.342 1.00 0.00 C ATOM 180 O ASN A 11 0.114 -8.837 0.865 1.00 0.00 O ATOM 181 CB ASN A 11 1.895 -10.725 -1.056 1.00 0.00 C ATOM 182 CG ASN A 11 1.971 -12.128 -1.658 1.00 0.00 C ATOM 183 OD1 ASN A 11 1.351 -13.060 -1.148 1.00 0.00 O ATOM 184 ND2 ASN A 11 2.695 -12.332 -2.725 1.00 0.00 N ATOM 0 H ASN A 11 0.698 -10.293 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.201 -10.924 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.538 -10.046 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.266 -10.741 -0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.747 -13.264 -3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.209 -11.559 -3.148 1.00 0.00 H new ATOM 191 N ALA A 12 0.594 -7.768 -1.076 1.00 0.00 N ATOM 192 CA ALA A 12 0.560 -6.418 -0.493 1.00 0.00 C ATOM 193 C ALA A 12 -0.223 -5.451 -1.390 1.00 0.00 C ATOM 194 O ALA A 12 0.324 -4.904 -2.355 1.00 0.00 O ATOM 195 CB ALA A 12 1.995 -5.902 -0.304 1.00 0.00 C ATOM 0 H ALA A 12 0.804 -7.787 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 12 0.058 -6.472 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.968 -4.902 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.537 -6.571 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.499 -5.867 -1.270 1.00 0.00 H new ATOM 201 N TYR A 13 -1.503 -5.242 -1.061 1.00 0.00 N ATOM 202 CA TYR A 13 -2.354 -4.334 -1.838 1.00 0.00 C ATOM 203 C TYR A 13 -3.582 -3.906 -1.019 1.00 0.00 C ATOM 204 O TYR A 13 -3.606 -2.805 -0.459 1.00 0.00 O ATOM 205 CB TYR A 13 -2.782 -5.015 -3.151 1.00 0.00 C ATOM 206 CG TYR A 13 -3.472 -4.011 -4.056 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.710 -3.202 -4.911 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.869 -3.892 -4.046 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.343 -2.279 -5.753 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.500 -2.967 -4.887 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.738 -2.161 -5.739 1.00 0.00 C ATOM 212 OH TYR A 13 -5.360 -1.251 -6.569 1.00 0.00 O ATOM 0 H TYR A 13 -1.969 -5.685 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.784 -3.436 -2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.910 -5.432 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.454 -5.846 -2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.634 -3.291 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.459 -4.514 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.755 -1.658 -6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.576 -2.876 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.330 -1.297 -6.436 1.00 0.00 H new ATOM 222 N TRP A 14 -4.595 -4.782 -0.953 1.00 0.00 N ATOM 223 CA TRP A 14 -5.827 -4.493 -0.206 1.00 0.00 C ATOM 224 C TRP A 14 -5.530 -4.222 1.271 1.00 0.00 C ATOM 225 O TRP A 14 -6.291 -3.517 1.941 1.00 0.00 O ATOM 226 CB TRP A 14 -6.808 -5.672 -0.316 1.00 0.00 C ATOM 227 CG TRP A 14 -7.215 -5.873 -1.745 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.091 -5.093 -2.424 1.00 0.00 C ATOM 229 CD2 TRP A 14 -6.782 -6.906 -2.679 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.219 -5.581 -3.712 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.432 -6.697 -3.918 1.00 0.00 C ATOM 232 CE3 TRP A 14 -5.894 -7.993 -2.571 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -7.211 -7.536 -5.011 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -5.669 -8.838 -3.670 1.00 0.00 C ATOM 235 CH2 TRP A 14 -6.326 -8.611 -4.887 1.00 0.00 C ATOM 0 H TRP A 14 -4.585 -5.695 -1.407 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.275 -3.600 -0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.342 -6.579 0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.688 -5.481 0.297 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.605 -4.231 -2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.822 -5.167 -4.423 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.383 -8.178 -1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -7.720 -7.356 -5.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -4.985 -9.669 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.149 -9.266 -5.728 1.00 0.00 H new ATOM 246 N GLU A 15 -4.430 -4.797 1.772 1.00 0.00 N ATOM 247 CA GLU A 15 -4.035 -4.630 3.178 1.00 0.00 C ATOM 248 C GLU A 15 -3.888 -3.149 3.541 1.00 0.00 C ATOM 249 O GLU A 15 -4.239 -2.739 4.651 1.00 0.00 O ATOM 250 CB GLU A 15 -2.703 -5.350 3.439 1.00 0.00 C ATOM 251 CG GLU A 15 -2.877 -6.870 3.237 1.00 0.00 C ATOM 252 CD GLU A 15 -1.584 -7.642 3.570 1.00 0.00 C ATOM 253 OE1 GLU A 15 -0.514 -7.047 3.551 1.00 0.00 O ATOM 254 OE2 GLU A 15 -1.687 -8.832 3.825 1.00 0.00 O ATOM 0 H GLU A 15 -3.797 -5.382 1.226 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.819 -5.064 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.936 -4.970 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.363 -5.146 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.689 -7.230 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.164 -7.069 2.205 1.00 0.00 H new ATOM 261 N ILE A 16 -3.382 -2.354 2.596 1.00 0.00 N ATOM 262 CA ILE A 16 -3.211 -0.917 2.824 1.00 0.00 C ATOM 263 C ILE A 16 -4.575 -0.247 2.991 1.00 0.00 C ATOM 264 O ILE A 16 -4.756 0.604 3.866 1.00 0.00 O ATOM 265 CB ILE A 16 -2.446 -0.276 1.649 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.053 -0.931 1.525 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.287 1.239 1.890 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.339 -0.430 0.263 1.00 0.00 C ATOM 0 H ILE A 16 -3.086 -2.676 1.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.632 -0.774 3.737 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.006 -0.433 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.455 -0.699 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.156 -2.015 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.746 1.685 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.271 1.700 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.731 1.404 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.642 -0.900 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.931 -0.685 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.219 0.652 0.318 1.00 0.00 H new ATOM 280 N ALA A 17 -5.526 -0.641 2.140 1.00 0.00 N ATOM 281 CA ALA A 17 -6.880 -0.085 2.181 1.00 0.00 C ATOM 282 C ALA A 17 -7.604 -0.489 3.470 1.00 0.00 C ATOM 283 O ALA A 17 -8.448 0.259 3.972 1.00 0.00 O ATOM 284 CB ALA A 17 -7.679 -0.580 0.970 1.00 0.00 C ATOM 0 H ALA A 17 -5.383 -1.343 1.414 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.802 1.002 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.686 -0.164 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.185 -0.260 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.735 -1.668 0.991 1.00 0.00 H new ATOM 290 N LEU A 18 -7.278 -1.684 3.979 1.00 0.00 N ATOM 291 CA LEU A 18 -7.907 -2.207 5.198 1.00 0.00 C ATOM 292 C LEU A 18 -7.708 -1.258 6.385 1.00 0.00 C ATOM 293 O LEU A 18 -8.618 -1.086 7.201 1.00 0.00 O ATOM 294 CB LEU A 18 -7.323 -3.591 5.530 1.00 0.00 C ATOM 295 CG LEU A 18 -8.087 -4.236 6.704 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.511 -4.616 6.265 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.342 -5.501 7.162 1.00 0.00 C ATOM 0 H LEU A 18 -6.583 -2.306 3.566 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.978 -2.294 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.381 -4.236 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.268 -3.495 5.785 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.146 -3.522 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.041 -5.071 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.043 -3.721 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.460 -5.326 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.880 -5.959 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.282 -6.208 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.336 -5.234 7.485 1.00 0.00 H new ATOM 309 N LEU A 19 -6.518 -0.648 6.476 1.00 0.00 N ATOM 310 CA LEU A 19 -6.218 0.278 7.574 1.00 0.00 C ATOM 311 C LEU A 19 -7.161 1.497 7.501 1.00 0.00 C ATOM 312 O LEU A 19 -7.190 2.195 6.483 1.00 0.00 O ATOM 313 CB LEU A 19 -4.745 0.730 7.475 1.00 0.00 C ATOM 314 CG LEU A 19 -3.812 -0.148 8.352 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.206 -1.635 8.298 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.365 -0.003 7.854 1.00 0.00 C ATOM 0 H LEU A 19 -5.756 -0.778 5.810 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.372 -0.224 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.419 0.681 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.663 1.771 7.786 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.906 0.194 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.528 -2.214 8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.227 -1.754 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.142 -1.991 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.706 -0.618 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.303 -0.329 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.058 1.041 7.926 1.00 0.00 H new ATOM 328 N PRO A 20 -7.948 1.744 8.542 1.00 0.00 N ATOM 329 CA PRO A 20 -8.935 2.877 8.584 1.00 0.00 C ATOM 330 C PRO A 20 -8.379 4.218 9.087 1.00 0.00 C ATOM 331 O PRO A 20 -8.982 5.264 8.831 1.00 0.00 O ATOM 332 CB PRO A 20 -9.979 2.345 9.564 1.00 0.00 C ATOM 333 CG PRO A 20 -9.190 1.558 10.560 1.00 0.00 C ATOM 334 CD PRO A 20 -7.998 0.967 9.802 1.00 0.00 C ATOM 0 HA PRO A 20 -9.291 3.121 7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.525 3.158 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.716 1.721 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.852 2.195 11.378 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.799 0.769 11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.074 1.070 10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.137 -0.097 9.609 1.00 0.00 H new ATOM 342 N ASN A 21 -7.267 4.189 9.831 1.00 0.00 N ATOM 343 CA ASN A 21 -6.694 5.423 10.396 1.00 0.00 C ATOM 344 C ASN A 21 -5.812 6.175 9.400 1.00 0.00 C ATOM 345 O ASN A 21 -5.375 7.292 9.694 1.00 0.00 O ATOM 346 CB ASN A 21 -5.892 5.117 11.679 1.00 0.00 C ATOM 347 CG ASN A 21 -5.277 3.721 11.622 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.689 3.336 10.611 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.385 2.934 12.651 1.00 0.00 N ATOM 0 H ASN A 21 -6.750 3.339 10.055 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.537 6.070 10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.104 5.860 11.805 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.546 5.195 12.548 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.983 1.997 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.872 3.253 13.488 1.00 0.00 H new ATOM 356 N LEU A 22 -5.560 5.589 8.225 1.00 0.00 N ATOM 357 CA LEU A 22 -4.735 6.274 7.224 1.00 0.00 C ATOM 358 C LEU A 22 -5.525 7.407 6.594 1.00 0.00 C ATOM 359 O LEU A 22 -6.674 7.217 6.182 1.00 0.00 O ATOM 360 CB LEU A 22 -4.279 5.338 6.095 1.00 0.00 C ATOM 361 CG LEU A 22 -3.523 4.126 6.642 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.535 3.009 5.590 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.070 4.511 6.935 1.00 0.00 C ATOM 0 H LEU A 22 -5.903 4.669 7.948 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.854 6.644 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.147 5.001 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.639 5.886 5.403 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.004 3.786 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.998 2.142 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.565 2.729 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.051 3.362 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.535 3.645 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.591 4.850 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.048 5.313 7.673 1.00 0.00 H new ATOM 375 N ASN A 23 -4.892 8.576 6.503 1.00 0.00 N ATOM 376 CA ASN A 23 -5.536 9.745 5.891 1.00 0.00 C ATOM 377 C ASN A 23 -6.013 9.402 4.472 1.00 0.00 C ATOM 378 O ASN A 23 -5.427 8.539 3.808 1.00 0.00 O ATOM 379 CB ASN A 23 -4.559 10.927 5.843 1.00 0.00 C ATOM 380 CG ASN A 23 -5.276 12.203 5.397 1.00 0.00 C ATOM 381 OD1 ASN A 23 -6.456 12.401 5.692 1.00 0.00 O ATOM 382 ND2 ASN A 23 -4.624 13.089 4.699 1.00 0.00 N ATOM 0 H ASN A 23 -3.944 8.742 6.840 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.397 10.026 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.115 11.078 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.743 10.703 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.090 13.945 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.647 12.927 4.454 1.00 0.00 H new ATOM 389 N ASN A 24 -7.093 10.058 4.031 1.00 0.00 N ATOM 390 CA ASN A 24 -7.671 9.801 2.702 1.00 0.00 C ATOM 391 C ASN A 24 -6.628 9.944 1.586 1.00 0.00 C ATOM 392 O ASN A 24 -6.598 9.137 0.652 1.00 0.00 O ATOM 393 CB ASN A 24 -8.831 10.775 2.440 1.00 0.00 C ATOM 394 CG ASN A 24 -9.946 10.567 3.466 1.00 0.00 C ATOM 395 OD1 ASN A 24 -10.327 11.503 4.171 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.498 9.392 3.589 1.00 0.00 N ATOM 0 H ASN A 24 -7.585 10.769 4.572 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.034 8.773 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.470 11.802 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.221 10.623 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.245 9.248 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.183 8.617 3.006 1.00 0.00 H new ATOM 403 N GLN A 25 -5.782 10.970 1.693 1.00 0.00 N ATOM 404 CA GLN A 25 -4.742 11.212 0.689 1.00 0.00 C ATOM 405 C GLN A 25 -3.675 10.115 0.721 1.00 0.00 C ATOM 406 O GLN A 25 -3.259 9.615 -0.326 1.00 0.00 O ATOM 407 CB GLN A 25 -4.077 12.574 0.945 1.00 0.00 C ATOM 408 CG GLN A 25 -5.095 13.707 0.724 1.00 0.00 C ATOM 409 CD GLN A 25 -4.460 15.073 1.007 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.515 15.181 1.791 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.930 16.133 0.409 1.00 0.00 N ATOM 0 H GLN A 25 -5.795 11.643 2.459 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.215 11.207 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.692 12.614 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.226 12.704 0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.462 13.677 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.957 13.560 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.712 16.048 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.516 17.047 0.591 1.00 0.00 H new ATOM 420 N GLN A 26 -3.232 9.765 1.930 1.00 0.00 N ATOM 421 CA GLN A 26 -2.194 8.742 2.112 1.00 0.00 C ATOM 422 C GLN A 26 -2.635 7.382 1.563 1.00 0.00 C ATOM 423 O GLN A 26 -1.833 6.666 0.953 1.00 0.00 O ATOM 424 CB GLN A 26 -1.860 8.605 3.605 1.00 0.00 C ATOM 425 CG GLN A 26 -1.232 9.909 4.123 1.00 0.00 C ATOM 426 CD GLN A 26 -0.970 9.814 5.627 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.136 10.099 6.084 1.00 0.00 O ATOM 428 NE2 GLN A 26 -1.927 9.427 6.427 1.00 0.00 N ATOM 0 H GLN A 26 -3.574 10.174 2.800 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.312 9.061 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.764 8.378 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.171 7.774 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.298 10.105 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.897 10.748 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.844 9.191 6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.757 9.361 7.431 1.00 0.00 H new ATOM 437 N LYS A 27 -3.904 7.032 1.793 1.00 0.00 N ATOM 438 CA LYS A 27 -4.445 5.749 1.330 1.00 0.00 C ATOM 439 C LYS A 27 -4.330 5.636 -0.191 1.00 0.00 C ATOM 440 O LYS A 27 -3.643 4.750 -0.708 1.00 0.00 O ATOM 441 CB LYS A 27 -5.920 5.640 1.751 1.00 0.00 C ATOM 442 CG LYS A 27 -6.488 4.261 1.375 1.00 0.00 C ATOM 443 CD LYS A 27 -7.990 4.215 1.695 1.00 0.00 C ATOM 444 CE LYS A 27 -8.790 4.913 0.586 1.00 0.00 C ATOM 445 NZ LYS A 27 -10.248 4.753 0.853 1.00 0.00 N ATOM 0 H LYS A 27 -4.574 7.615 2.294 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.872 4.938 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.010 5.796 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.502 6.424 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.326 4.067 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.965 3.479 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.317 3.180 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.180 4.701 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.530 5.971 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.537 4.485 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.792 5.225 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.489 3.741 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.482 5.181 1.772 1.00 0.00 H new ATOM 459 N ARG A 28 -5.010 6.546 -0.889 1.00 0.00 N ATOM 460 CA ARG A 28 -4.996 6.569 -2.351 1.00 0.00 C ATOM 461 C ARG A 28 -3.568 6.727 -2.882 1.00 0.00 C ATOM 462 O ARG A 28 -3.222 6.167 -3.929 1.00 0.00 O ATOM 463 CB ARG A 28 -5.876 7.723 -2.859 1.00 0.00 C ATOM 464 CG ARG A 28 -5.982 7.676 -4.392 1.00 0.00 C ATOM 465 CD ARG A 28 -6.994 8.725 -4.872 1.00 0.00 C ATOM 466 NE ARG A 28 -6.495 10.077 -4.600 1.00 0.00 N ATOM 467 CZ ARG A 28 -5.565 10.660 -5.363 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.054 10.035 -6.388 1.00 0.00 N ATOM 469 NH2 ARG A 28 -5.165 11.865 -5.080 1.00 0.00 N ATOM 0 H ARG A 28 -5.579 7.278 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.392 5.621 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.870 7.654 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.453 8.677 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.007 7.866 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.293 6.682 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.173 8.605 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.949 8.575 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.870 10.590 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.364 9.090 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.345 10.491 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.561 12.359 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.456 12.316 -5.658 1.00 0.00 H new ATOM 483 N ALA A 29 -2.752 7.506 -2.159 1.00 0.00 N ATOM 484 CA ALA A 29 -1.367 7.753 -2.566 1.00 0.00 C ATOM 485 C ALA A 29 -0.555 6.456 -2.620 1.00 0.00 C ATOM 486 O ALA A 29 0.198 6.245 -3.571 1.00 0.00 O ATOM 487 CB ALA A 29 -0.700 8.737 -1.598 1.00 0.00 C ATOM 0 H ALA A 29 -3.027 7.972 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.390 8.182 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.329 8.913 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.247 9.680 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.707 8.319 -0.592 1.00 0.00 H new ATOM 493 N PHE A 30 -0.701 5.597 -1.600 1.00 0.00 N ATOM 494 CA PHE A 30 0.047 4.334 -1.568 1.00 0.00 C ATOM 495 C PHE A 30 -0.282 3.463 -2.781 1.00 0.00 C ATOM 496 O PHE A 30 0.617 3.071 -3.533 1.00 0.00 O ATOM 497 CB PHE A 30 -0.266 3.557 -0.281 1.00 0.00 C ATOM 498 CG PHE A 30 0.636 4.029 0.842 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.023 3.866 0.732 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.092 4.624 1.988 1.00 0.00 C ATOM 501 CE1 PHE A 30 2.866 4.295 1.762 1.00 0.00 C ATOM 502 CE2 PHE A 30 0.936 5.052 3.019 1.00 0.00 C ATOM 503 CZ PHE A 30 2.325 4.886 2.905 1.00 0.00 C ATOM 0 H PHE A 30 -1.318 5.750 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 30 1.108 4.580 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.310 3.701 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.125 2.489 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.443 3.407 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.977 4.752 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.935 4.169 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.518 5.510 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.975 5.216 3.702 1.00 0.00 H new ATOM 513 N ILE A 31 -1.572 3.162 -2.963 1.00 0.00 N ATOM 514 CA ILE A 31 -2.020 2.330 -4.085 1.00 0.00 C ATOM 515 C ILE A 31 -1.524 2.911 -5.418 1.00 0.00 C ATOM 516 O ILE A 31 -1.041 2.173 -6.280 1.00 0.00 O ATOM 517 CB ILE A 31 -3.562 2.213 -4.078 1.00 0.00 C ATOM 518 CG1 ILE A 31 -4.018 1.502 -2.781 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.037 1.407 -5.302 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.551 1.442 -2.713 1.00 0.00 C ATOM 0 H ILE A 31 -2.322 3.481 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.597 1.332 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.996 3.212 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.607 0.493 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.630 2.033 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.124 1.330 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.721 1.912 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.602 0.408 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.855 0.939 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.956 2.454 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.932 0.890 -3.572 1.00 0.00 H new ATOM 532 N ARG A 32 -1.633 4.235 -5.566 1.00 0.00 N ATOM 533 CA ARG A 32 -1.177 4.902 -6.789 1.00 0.00 C ATOM 534 C ARG A 32 0.343 4.758 -6.940 1.00 0.00 C ATOM 535 O ARG A 32 0.846 4.492 -8.039 1.00 0.00 O ATOM 536 CB ARG A 32 -1.563 6.392 -6.746 1.00 0.00 C ATOM 537 CG ARG A 32 -1.234 7.080 -8.086 1.00 0.00 C ATOM 538 CD ARG A 32 -2.258 6.679 -9.159 1.00 0.00 C ATOM 539 NE ARG A 32 -1.922 7.301 -10.444 1.00 0.00 N ATOM 540 CZ ARG A 32 -2.161 8.591 -10.695 1.00 0.00 C ATOM 541 NH1 ARG A 32 -2.707 9.358 -9.791 1.00 0.00 N ATOM 542 NH2 ARG A 32 -1.846 9.090 -11.856 1.00 0.00 N ATOM 0 H ARG A 32 -2.028 4.860 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.658 4.432 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.627 6.491 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.028 6.888 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.238 8.162 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.231 6.801 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.276 5.594 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.257 6.985 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.491 6.729 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.957 8.974 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.884 10.341 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.419 8.496 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.026 10.074 -12.054 1.00 0.00 H new ATOM 556 N SER A 33 1.064 4.939 -5.825 1.00 0.00 N ATOM 557 CA SER A 33 2.527 4.837 -5.826 1.00 0.00 C ATOM 558 C SER A 33 2.985 3.447 -6.265 1.00 0.00 C ATOM 559 O SER A 33 4.019 3.315 -6.920 1.00 0.00 O ATOM 560 CB SER A 33 3.086 5.151 -4.433 1.00 0.00 C ATOM 561 OG SER A 33 2.800 6.505 -4.105 1.00 0.00 O ATOM 0 H SER A 33 0.658 5.156 -4.915 1.00 0.00 H new ATOM 0 HA SER A 33 2.910 5.566 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.644 4.484 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.162 4.980 -4.414 1.00 0.00 H new ATOM 0 HG SER A 33 1.918 6.560 -3.681 1.00 0.00 H new ATOM 567 N LEU A 34 2.211 2.417 -5.900 1.00 0.00 N ATOM 568 CA LEU A 34 2.551 1.037 -6.269 1.00 0.00 C ATOM 569 C LEU A 34 2.613 0.891 -7.791 1.00 0.00 C ATOM 570 O LEU A 34 3.496 0.212 -8.319 1.00 0.00 O ATOM 571 CB LEU A 34 1.511 0.054 -5.683 1.00 0.00 C ATOM 572 CG LEU A 34 2.160 -0.848 -4.603 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.292 -0.862 -3.332 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.306 -2.285 -5.143 1.00 0.00 C ATOM 0 H LEU A 34 1.354 2.511 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 34 3.531 0.800 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.681 0.611 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.098 -0.564 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 34 3.145 -0.450 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.758 -1.499 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.201 0.152 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.302 -1.249 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.763 -2.916 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.322 -2.679 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.936 -2.277 -6.032 1.00 0.00 H new ATOM 586 N TYR A 35 1.677 1.543 -8.485 1.00 0.00 N ATOM 587 CA TYR A 35 1.642 1.492 -9.947 1.00 0.00 C ATOM 588 C TYR A 35 2.863 2.210 -10.530 1.00 0.00 C ATOM 589 O TYR A 35 3.511 1.705 -11.450 1.00 0.00 O ATOM 590 CB TYR A 35 0.353 2.149 -10.462 1.00 0.00 C ATOM 591 CG TYR A 35 0.239 1.956 -11.964 1.00 0.00 C ATOM 592 CD1 TYR A 35 -0.318 0.777 -12.480 1.00 0.00 C ATOM 593 CD2 TYR A 35 0.694 2.954 -12.840 1.00 0.00 C ATOM 594 CE1 TYR A 35 -0.422 0.597 -13.865 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.590 2.772 -14.224 1.00 0.00 C ATOM 596 CZ TYR A 35 0.031 1.594 -14.736 1.00 0.00 C ATOM 597 OH TYR A 35 -0.071 1.416 -16.101 1.00 0.00 O ATOM 0 H TYR A 35 0.940 2.107 -8.062 1.00 0.00 H new ATOM 0 HA TYR A 35 1.662 0.449 -10.264 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.512 1.712 -9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.356 3.212 -10.222 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.667 0.007 -11.808 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.125 3.863 -12.446 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.852 -0.311 -14.261 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.941 3.540 -14.897 1.00 0.00 H new ATOM 0 HH TYR A 35 0.289 2.203 -16.561 1.00 0.00 H new ATOM 607 N ASP A 36 3.151 3.398 -9.988 1.00 0.00 N ATOM 608 CA ASP A 36 4.285 4.208 -10.452 1.00 0.00 C ATOM 609 C ASP A 36 5.634 3.544 -10.142 1.00 0.00 C ATOM 610 O ASP A 36 6.559 3.606 -10.958 1.00 0.00 O ATOM 611 CB ASP A 36 4.230 5.598 -9.794 1.00 0.00 C ATOM 612 CG ASP A 36 5.264 6.544 -10.419 1.00 0.00 C ATOM 613 OD1 ASP A 36 5.297 6.650 -11.637 1.00 0.00 O ATOM 614 OD2 ASP A 36 5.995 7.163 -9.667 1.00 0.00 O ATOM 0 H ASP A 36 2.616 3.820 -9.229 1.00 0.00 H new ATOM 0 HA ASP A 36 4.204 4.300 -11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.231 6.019 -9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.417 5.505 -8.724 1.00 0.00 H new ATOM 619 N ASP A 37 5.742 2.925 -8.958 1.00 0.00 N ATOM 620 CA ASP A 37 6.986 2.263 -8.536 1.00 0.00 C ATOM 621 C ASP A 37 6.672 0.958 -7.780 1.00 0.00 C ATOM 622 O ASP A 37 6.759 0.904 -6.546 1.00 0.00 O ATOM 623 CB ASP A 37 7.804 3.212 -7.639 1.00 0.00 C ATOM 624 CG ASP A 37 8.240 4.454 -8.426 1.00 0.00 C ATOM 625 OD1 ASP A 37 8.997 4.301 -9.373 1.00 0.00 O ATOM 626 OD2 ASP A 37 7.815 5.541 -8.066 1.00 0.00 O ATOM 0 H ASP A 37 4.985 2.869 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 37 7.571 2.016 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.207 3.511 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.681 2.692 -7.254 1.00 0.00 H new ATOM 631 N PRO A 38 6.305 -0.092 -8.491 1.00 0.00 N ATOM 632 CA PRO A 38 5.965 -1.411 -7.865 1.00 0.00 C ATOM 633 C PRO A 38 7.148 -2.009 -7.098 1.00 0.00 C ATOM 634 O PRO A 38 6.964 -2.880 -6.242 1.00 0.00 O ATOM 635 CB PRO A 38 5.555 -2.296 -9.052 1.00 0.00 C ATOM 636 CG PRO A 38 6.129 -1.641 -10.263 1.00 0.00 C ATOM 637 CD PRO A 38 6.181 -0.146 -9.962 1.00 0.00 C ATOM 0 HA PRO A 38 5.174 -1.317 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.940 -3.309 -8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.470 -2.373 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.125 -2.028 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.513 -1.839 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.028 0.333 -10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.282 0.364 -10.308 1.00 0.00 H new ATOM 645 N SER A 39 8.354 -1.536 -7.418 1.00 0.00 N ATOM 646 CA SER A 39 9.574 -2.019 -6.770 1.00 0.00 C ATOM 647 C SER A 39 9.522 -1.802 -5.253 1.00 0.00 C ATOM 648 O SER A 39 10.079 -2.600 -4.492 1.00 0.00 O ATOM 649 CB SER A 39 10.792 -1.290 -7.347 1.00 0.00 C ATOM 650 OG SER A 39 10.806 -1.440 -8.762 1.00 0.00 O ATOM 0 H SER A 39 8.512 -0.817 -8.124 1.00 0.00 H new ATOM 0 HA SER A 39 9.656 -3.089 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.756 -0.233 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.709 -1.695 -6.918 1.00 0.00 H new ATOM 0 HG SER A 39 11.584 -0.973 -9.133 1.00 0.00 H new ATOM 656 N GLN A 40 8.864 -0.716 -4.822 1.00 0.00 N ATOM 657 CA GLN A 40 8.760 -0.395 -3.391 1.00 0.00 C ATOM 658 C GLN A 40 7.548 -1.074 -2.742 1.00 0.00 C ATOM 659 O GLN A 40 7.256 -0.815 -1.579 1.00 0.00 O ATOM 660 CB GLN A 40 8.647 1.128 -3.203 1.00 0.00 C ATOM 661 CG GLN A 40 9.868 1.826 -3.812 1.00 0.00 C ATOM 662 CD GLN A 40 9.852 3.316 -3.472 1.00 0.00 C ATOM 663 OE1 GLN A 40 8.903 4.024 -3.810 1.00 0.00 O ATOM 664 NE2 GLN A 40 10.854 3.835 -2.818 1.00 0.00 N ATOM 0 H GLN A 40 8.399 -0.050 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 40 9.661 -0.768 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.736 1.494 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.573 1.367 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.783 1.370 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.869 1.693 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.640 3.248 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.852 4.828 -2.586 1.00 0.00 H new ATOM 673 N SER A 41 6.846 -1.929 -3.500 1.00 0.00 N ATOM 674 CA SER A 41 5.646 -2.633 -3.003 1.00 0.00 C ATOM 675 C SER A 41 5.763 -3.045 -1.530 1.00 0.00 C ATOM 676 O SER A 41 4.915 -2.682 -0.706 1.00 0.00 O ATOM 677 CB SER A 41 5.400 -3.884 -3.847 1.00 0.00 C ATOM 678 OG SER A 41 6.623 -4.590 -4.017 1.00 0.00 O ATOM 0 H SER A 41 7.087 -2.153 -4.465 1.00 0.00 H new ATOM 0 HA SER A 41 4.813 -1.935 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.663 -4.524 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.990 -3.606 -4.818 1.00 0.00 H new ATOM 0 HG SER A 41 7.090 -4.250 -4.809 1.00 0.00 H new ATOM 684 N ALA A 42 6.811 -3.801 -1.210 1.00 0.00 N ATOM 685 CA ALA A 42 7.030 -4.261 0.162 1.00 0.00 C ATOM 686 C ALA A 42 7.259 -3.080 1.107 1.00 0.00 C ATOM 687 O ALA A 42 6.731 -3.050 2.225 1.00 0.00 O ATOM 688 CB ALA A 42 8.245 -5.192 0.207 1.00 0.00 C ATOM 0 H ALA A 42 7.519 -4.107 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 42 6.139 -4.798 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.405 -5.532 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.068 -6.052 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.128 -4.655 -0.139 1.00 0.00 H new ATOM 694 N ASN A 43 8.049 -2.110 0.651 1.00 0.00 N ATOM 695 CA ASN A 43 8.350 -0.931 1.466 1.00 0.00 C ATOM 696 C ASN A 43 7.087 -0.121 1.740 1.00 0.00 C ATOM 697 O ASN A 43 6.847 0.296 2.873 1.00 0.00 O ATOM 698 CB ASN A 43 9.369 -0.029 0.754 1.00 0.00 C ATOM 699 CG ASN A 43 10.706 -0.742 0.541 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.935 -1.839 1.057 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.614 -0.162 -0.190 1.00 0.00 N ATOM 0 H ASN A 43 8.489 -2.114 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 43 8.766 -1.283 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.967 0.285 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.528 0.875 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.516 -0.615 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.423 0.745 -0.616 1.00 0.00 H new ATOM 708 N LEU A 44 6.294 0.103 0.690 1.00 0.00 N ATOM 709 CA LEU A 44 5.062 0.881 0.803 1.00 0.00 C ATOM 710 C LEU A 44 4.112 0.256 1.820 1.00 0.00 C ATOM 711 O LEU A 44 3.467 0.973 2.585 1.00 0.00 O ATOM 712 CB LEU A 44 4.374 0.960 -0.557 1.00 0.00 C ATOM 713 CG LEU A 44 5.248 1.725 -1.583 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.544 1.750 -2.945 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.490 3.169 -1.113 1.00 0.00 C ATOM 0 H LEU A 44 6.485 -0.245 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 44 5.322 1.884 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.173 -0.046 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.411 1.459 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 44 6.207 1.214 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.161 2.289 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.389 0.729 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.581 2.250 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.105 3.692 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.534 3.683 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.002 3.157 -0.151 1.00 0.00 H new ATOM 727 N LEU A 45 4.036 -1.080 1.832 1.00 0.00 N ATOM 728 CA LEU A 45 3.169 -1.786 2.784 1.00 0.00 C ATOM 729 C LEU A 45 3.624 -1.484 4.213 1.00 0.00 C ATOM 730 O LEU A 45 2.810 -1.131 5.072 1.00 0.00 O ATOM 731 CB LEU A 45 3.220 -3.298 2.506 1.00 0.00 C ATOM 732 CG LEU A 45 2.520 -4.096 3.631 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.039 -3.703 3.723 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.631 -5.602 3.342 1.00 0.00 C ATOM 0 H LEU A 45 4.558 -1.689 1.201 1.00 0.00 H new ATOM 0 HA LEU A 45 2.140 -1.446 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.739 -3.512 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.258 -3.620 2.419 1.00 0.00 H new ATOM 0 HG LEU A 45 3.007 -3.866 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.560 -4.273 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.958 -2.638 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.546 -3.919 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.137 -6.162 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.153 -5.826 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.682 -5.887 3.296 1.00 0.00 H new ATOM 746 N ALA A 46 4.933 -1.603 4.444 1.00 0.00 N ATOM 747 CA ALA A 46 5.503 -1.316 5.762 1.00 0.00 C ATOM 748 C ALA A 46 5.276 0.155 6.106 1.00 0.00 C ATOM 749 O ALA A 46 4.931 0.502 7.238 1.00 0.00 O ATOM 750 CB ALA A 46 7.005 -1.617 5.760 1.00 0.00 C ATOM 0 H ALA A 46 5.614 -1.894 3.742 1.00 0.00 H new ATOM 0 HA ALA A 46 5.015 -1.945 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.421 -1.401 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.165 -2.668 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.499 -0.996 5.013 1.00 0.00 H new ATOM 756 N GLU A 47 5.457 1.006 5.099 1.00 0.00 N ATOM 757 CA GLU A 47 5.263 2.443 5.257 1.00 0.00 C ATOM 758 C GLU A 47 3.810 2.748 5.613 1.00 0.00 C ATOM 759 O GLU A 47 3.536 3.624 6.437 1.00 0.00 O ATOM 760 CB GLU A 47 5.642 3.155 3.953 1.00 0.00 C ATOM 761 CG GLU A 47 7.175 3.233 3.816 1.00 0.00 C ATOM 762 CD GLU A 47 7.774 4.170 4.868 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.317 5.300 4.972 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.691 3.749 5.545 1.00 0.00 O ATOM 0 H GLU A 47 5.739 0.722 4.161 1.00 0.00 H new ATOM 0 HA GLU A 47 5.900 2.801 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.220 2.620 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.217 4.159 3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.604 2.237 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.437 3.586 2.819 1.00 0.00 H new ATOM 771 N ALA A 48 2.883 2.017 4.989 1.00 0.00 N ATOM 772 CA ALA A 48 1.460 2.211 5.254 1.00 0.00 C ATOM 773 C ALA A 48 1.158 1.831 6.697 1.00 0.00 C ATOM 774 O ALA A 48 0.435 2.542 7.398 1.00 0.00 O ATOM 775 CB ALA A 48 0.619 1.354 4.301 1.00 0.00 C ATOM 0 H ALA A 48 3.092 1.292 4.303 1.00 0.00 H new ATOM 0 HA ALA A 48 1.207 3.259 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.439 1.509 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.831 1.641 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.867 0.302 4.443 1.00 0.00 H new ATOM 781 N LYS A 49 1.739 0.713 7.135 1.00 0.00 N ATOM 782 CA LYS A 49 1.549 0.242 8.502 1.00 0.00 C ATOM 783 C LYS A 49 2.135 1.262 9.483 1.00 0.00 C ATOM 784 O LYS A 49 1.597 1.467 10.574 1.00 0.00 O ATOM 785 CB LYS A 49 2.236 -1.119 8.694 1.00 0.00 C ATOM 786 CG LYS A 49 1.440 -1.968 9.698 1.00 0.00 C ATOM 787 CD LYS A 49 2.312 -3.130 10.204 1.00 0.00 C ATOM 788 CE LYS A 49 1.426 -4.328 10.567 1.00 0.00 C ATOM 789 NZ LYS A 49 2.247 -5.357 11.268 1.00 0.00 N ATOM 0 H LYS A 49 2.342 0.121 6.564 1.00 0.00 H new ATOM 0 HA LYS A 49 0.482 0.127 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.306 -1.639 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.255 -0.975 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.119 -1.350 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.538 -2.357 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.031 -3.418 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.885 -2.813 11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.604 -4.006 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.982 -4.752 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.648 -6.170 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.017 -5.671 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.650 -4.948 12.135 1.00 0.00 H new ATOM 803 N LYS A 50 3.243 1.894 9.072 1.00 0.00 N ATOM 804 CA LYS A 50 3.917 2.896 9.896 1.00 0.00 C ATOM 805 C LYS A 50 2.971 4.057 10.201 1.00 0.00 C ATOM 806 O LYS A 50 2.846 4.477 11.356 1.00 0.00 O ATOM 807 CB LYS A 50 5.155 3.413 9.152 1.00 0.00 C ATOM 808 CG LYS A 50 6.024 4.263 10.091 1.00 0.00 C ATOM 809 CD LYS A 50 7.358 4.594 9.404 1.00 0.00 C ATOM 810 CE LYS A 50 7.159 5.690 8.348 1.00 0.00 C ATOM 811 NZ LYS A 50 8.398 5.820 7.529 1.00 0.00 N ATOM 0 H LYS A 50 3.689 1.725 8.170 1.00 0.00 H new ATOM 0 HA LYS A 50 4.220 2.440 10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.735 2.573 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.849 4.007 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.501 5.183 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.207 3.724 11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.085 4.923 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.765 3.698 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.311 5.444 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.929 6.639 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.141 6.000 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.970 6.611 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.948 4.940 7.590 1.00 0.00 H new ATOM 825 N LEU A 51 2.300 4.558 9.158 1.00 0.00 N ATOM 826 CA LEU A 51 1.349 5.660 9.318 1.00 0.00 C ATOM 827 C LEU A 51 0.190 5.223 10.211 1.00 0.00 C ATOM 828 O LEU A 51 -0.273 5.993 11.055 1.00 0.00 O ATOM 829 CB LEU A 51 0.832 6.118 7.939 1.00 0.00 C ATOM 830 CG LEU A 51 1.833 7.112 7.316 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.535 7.288 5.821 1.00 0.00 C ATOM 832 CD2 LEU A 51 1.729 8.475 8.024 1.00 0.00 C ATOM 0 H LEU A 51 2.398 4.220 8.201 1.00 0.00 H new ATOM 0 HA LEU A 51 1.854 6.501 9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.703 5.257 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.146 6.588 8.044 1.00 0.00 H new ATOM 0 HG LEU A 51 2.842 6.718 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.246 7.992 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.624 6.326 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.523 7.672 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.439 9.172 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.718 8.867 7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.956 8.353 9.083 1.00 0.00 H new ATOM 844 N ASN A 52 -0.250 3.977 10.031 1.00 0.00 N ATOM 845 CA ASN A 52 -1.338 3.424 10.837 1.00 0.00 C ATOM 846 C ASN A 52 -0.929 3.381 12.311 1.00 0.00 C ATOM 847 O ASN A 52 -1.685 3.813 13.183 1.00 0.00 O ATOM 848 CB ASN A 52 -1.693 2.012 10.317 1.00 0.00 C ATOM 849 CG ASN A 52 -2.206 1.098 11.438 1.00 0.00 C ATOM 850 OD1 ASN A 52 -1.416 0.438 12.112 1.00 0.00 O ATOM 851 ND2 ASN A 52 -3.484 1.020 11.675 1.00 0.00 N ATOM 0 H ASN A 52 0.129 3.334 9.336 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.220 4.059 10.752 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.452 2.093 9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.812 1.563 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.829 0.413 12.418 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.140 1.566 11.117 1.00 0.00 H new ATOM 858 N ASP A 53 0.272 2.857 12.570 1.00 0.00 N ATOM 859 CA ASP A 53 0.787 2.752 13.935 1.00 0.00 C ATOM 860 C ASP A 53 0.946 4.130 14.568 1.00 0.00 C ATOM 861 O ASP A 53 0.693 4.306 15.764 1.00 0.00 O ATOM 862 CB ASP A 53 2.143 2.038 13.922 1.00 0.00 C ATOM 863 CG ASP A 53 2.621 1.768 15.353 1.00 0.00 C ATOM 864 OD1 ASP A 53 2.203 0.771 15.920 1.00 0.00 O ATOM 865 OD2 ASP A 53 3.395 2.565 15.861 1.00 0.00 O ATOM 0 H ASP A 53 0.904 2.500 11.853 1.00 0.00 H new ATOM 0 HA ASP A 53 0.072 2.180 14.526 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.060 1.098 13.376 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.877 2.648 13.396 1.00 0.00 H new ATOM 870 N ALA A 54 1.396 5.095 13.763 1.00 0.00 N ATOM 871 CA ALA A 54 1.620 6.448 14.255 1.00 0.00 C ATOM 872 C ALA A 54 0.300 7.183 14.526 1.00 0.00 C ATOM 873 O ALA A 54 0.110 7.746 15.609 1.00 0.00 O ATOM 874 CB ALA A 54 2.451 7.236 13.237 1.00 0.00 C ATOM 0 H ALA A 54 1.610 4.962 12.775 1.00 0.00 H new ATOM 0 HA ALA A 54 2.159 6.374 15.199 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.617 8.248 13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.411 6.741 13.090 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.917 7.281 12.288 1.00 0.00 H new ATOM 880 N GLN A 55 -0.595 7.183 13.530 1.00 0.00 N ATOM 881 CA GLN A 55 -1.893 7.862 13.653 1.00 0.00 C ATOM 882 C GLN A 55 -2.794 7.182 14.690 1.00 0.00 C ATOM 883 O GLN A 55 -3.654 7.835 15.288 1.00 0.00 O ATOM 884 CB GLN A 55 -2.604 7.903 12.288 1.00 0.00 C ATOM 885 CG GLN A 55 -1.808 8.775 11.306 1.00 0.00 C ATOM 886 CD GLN A 55 -2.239 8.459 9.878 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.664 9.346 9.139 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.151 7.231 9.450 1.00 0.00 N ATOM 0 H GLN A 55 -0.446 6.722 12.632 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.700 8.879 13.993 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.705 6.893 11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.612 8.301 12.406 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.976 9.830 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.740 8.591 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.798 6.500 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.435 7.001 8.498 1.00 0.00 H new ATOM 897 N ALA A 56 -2.599 5.873 14.886 1.00 0.00 N ATOM 898 CA ALA A 56 -3.405 5.106 15.845 1.00 0.00 C ATOM 899 C ALA A 56 -3.312 5.713 17.254 1.00 0.00 C ATOM 900 O ALA A 56 -2.308 6.344 17.595 1.00 0.00 O ATOM 901 CB ALA A 56 -2.926 3.648 15.882 1.00 0.00 C ATOM 0 H ALA A 56 -1.893 5.324 14.396 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.445 5.143 15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.528 3.085 16.595 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.029 3.206 14.891 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.880 3.616 16.186 1.00 0.00 H new ATOM 907 N PRO A 57 -4.335 5.532 18.073 1.00 0.00 N ATOM 908 CA PRO A 57 -4.356 6.074 19.465 1.00 0.00 C ATOM 909 C PRO A 57 -3.300 5.410 20.347 1.00 0.00 C ATOM 910 O PRO A 57 -2.930 4.254 20.128 1.00 0.00 O ATOM 911 CB PRO A 57 -5.775 5.773 19.968 1.00 0.00 C ATOM 912 CG PRO A 57 -6.262 4.647 19.123 1.00 0.00 C ATOM 913 CD PRO A 57 -5.572 4.788 17.768 1.00 0.00 C ATOM 0 HA PRO A 57 -4.121 7.138 19.494 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.768 5.499 21.023 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.420 6.646 19.870 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.023 3.687 19.581 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.346 4.686 19.012 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.354 3.815 17.328 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.197 5.327 17.056 1.00 0.00 H new ATOM 921 N LYS A 58 -2.826 6.165 21.336 1.00 0.00 N ATOM 922 CA LYS A 58 -1.803 5.682 22.272 1.00 0.00 C ATOM 923 C LYS A 58 -2.400 5.511 23.674 1.00 0.00 C ATOM 924 O LYS A 58 -2.973 6.465 24.175 1.00 0.00 O ATOM 925 CB LYS A 58 -0.629 6.678 22.330 1.00 0.00 C ATOM 926 CG LYS A 58 -0.059 6.935 20.921 1.00 0.00 C ATOM 927 CD LYS A 58 0.552 5.644 20.348 1.00 0.00 C ATOM 928 CE LYS A 58 1.346 5.959 19.070 1.00 0.00 C ATOM 929 NZ LYS A 58 0.410 6.082 17.911 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.274 4.428 24.225 1.00 0.00 O ATOM 0 H LYS A 58 -3.134 7.121 21.514 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.441 4.716 21.920 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.965 7.618 22.768 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.155 6.286 22.978 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.849 7.295 20.262 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.700 7.716 20.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.206 5.182 21.088 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.237 4.925 20.128 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.906 6.886 19.197 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.074 5.171 18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.541 5.272 17.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.571 6.096 18.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.608 6.964 17.397 1.00 0.00 H new TER 944 LYS A 58