USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0269 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00605 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -7.21! C(o=-7.2!,f=-25!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.476 K(o=-0.48,f=-1.1) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.2) USER MOD Single : A 30 LYS NZ :NH3+ -128:sc= -0.132 (180deg=-0.69) USER MOD Single : A 35 SER OG : rot -59:sc= 1.04 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 49 CYS SG : rot 76:sc= 0.568 USER MOD Single : A 50 GLN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.339 (180deg=-1.7) USER MOD Single : A 53 TYR OH : rot -106:sc= 1.08 USER MOD Single : A 54 MET CE :methyl -149:sc= 0 (180deg=-0.0279) USER MOD Single : A 56 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.038) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 68 SER OG : rot 39:sc= 0.234 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.004 2.595 -16.473 1.00 0.00 N ATOM 2 CA GLY A 1 -2.560 2.047 -15.247 1.00 0.00 C ATOM 3 C GLY A 1 -1.697 2.418 -14.040 1.00 0.00 C ATOM 4 O GLY A 1 -0.476 2.524 -14.153 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.035 1.873 -17.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.561 3.423 -16.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.018 2.882 -16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.573 2.422 -15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.631 0.962 -15.328 1.00 0.00 H new ATOM 8 N SER A 2 -2.364 2.607 -12.911 1.00 0.00 N ATOM 9 CA SER A 2 -1.673 2.964 -11.683 1.00 0.00 C ATOM 10 C SER A 2 -1.087 1.711 -11.029 1.00 0.00 C ATOM 11 O SER A 2 0.121 1.626 -10.816 1.00 0.00 O ATOM 12 CB SER A 2 -2.612 3.681 -10.711 1.00 0.00 C ATOM 13 OG SER A 2 -1.903 4.525 -9.809 1.00 0.00 O ATOM 0 H SER A 2 -3.376 2.520 -12.821 1.00 0.00 H new ATOM 0 HA SER A 2 -0.862 3.648 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.332 4.275 -11.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.181 2.943 -10.146 1.00 0.00 H new ATOM 0 HG SER A 2 -2.538 4.966 -9.206 1.00 0.00 H new ATOM 19 N SER A 3 -1.971 0.771 -10.729 1.00 0.00 N ATOM 20 CA SER A 3 -1.556 -0.473 -10.103 1.00 0.00 C ATOM 21 C SER A 3 -1.224 -0.232 -8.629 1.00 0.00 C ATOM 22 O SER A 3 -1.829 -0.839 -7.746 1.00 0.00 O ATOM 23 CB SER A 3 -0.352 -1.079 -10.826 1.00 0.00 C ATOM 24 OG SER A 3 -0.496 -2.483 -11.019 1.00 0.00 O ATOM 0 H SER A 3 -2.972 0.846 -10.908 1.00 0.00 H new ATOM 0 HA SER A 3 -2.381 -1.182 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.227 -0.591 -11.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.553 -0.883 -10.250 1.00 0.00 H new ATOM 0 HG SER A 3 0.292 -2.832 -11.485 1.00 0.00 H new ATOM 30 N GLY A 4 -0.265 0.655 -8.409 1.00 0.00 N ATOM 31 CA GLY A 4 0.154 0.983 -7.057 1.00 0.00 C ATOM 32 C GLY A 4 1.048 2.225 -7.047 1.00 0.00 C ATOM 33 O GLY A 4 0.614 3.303 -6.642 1.00 0.00 O ATOM 0 H GLY A 4 0.234 1.157 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.722 1.156 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.692 0.140 -6.624 1.00 0.00 H new ATOM 37 N SER A 5 2.279 2.033 -7.496 1.00 0.00 N ATOM 38 CA SER A 5 3.237 3.124 -7.544 1.00 0.00 C ATOM 39 C SER A 5 3.440 3.704 -6.143 1.00 0.00 C ATOM 40 O SER A 5 2.601 4.458 -5.652 1.00 0.00 O ATOM 41 CB SER A 5 2.779 4.218 -8.510 1.00 0.00 C ATOM 42 OG SER A 5 3.020 3.865 -9.870 1.00 0.00 O ATOM 0 H SER A 5 2.635 1.138 -7.830 1.00 0.00 H new ATOM 0 HA SER A 5 4.186 2.730 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.715 4.405 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.300 5.147 -8.279 1.00 0.00 H new ATOM 0 HG SER A 5 2.712 4.588 -10.455 1.00 0.00 H new ATOM 48 N SER A 6 4.559 3.331 -5.539 1.00 0.00 N ATOM 49 CA SER A 6 4.882 3.805 -4.204 1.00 0.00 C ATOM 50 C SER A 6 3.774 3.409 -3.225 1.00 0.00 C ATOM 51 O SER A 6 2.675 3.046 -3.641 1.00 0.00 O ATOM 52 CB SER A 6 5.085 5.321 -4.192 1.00 0.00 C ATOM 53 OG SER A 6 5.622 5.778 -2.954 1.00 0.00 O ATOM 0 H SER A 6 5.253 2.706 -5.950 1.00 0.00 H new ATOM 0 HA SER A 6 5.816 3.338 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.755 5.603 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.132 5.816 -4.378 1.00 0.00 H new ATOM 0 HG SER A 6 5.738 6.751 -2.987 1.00 0.00 H new ATOM 59 N GLY A 7 4.102 3.494 -1.944 1.00 0.00 N ATOM 60 CA GLY A 7 3.148 3.150 -0.904 1.00 0.00 C ATOM 61 C GLY A 7 2.339 1.910 -1.290 1.00 0.00 C ATOM 62 O GLY A 7 1.110 1.952 -1.325 1.00 0.00 O ATOM 0 H GLY A 7 5.015 3.796 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.675 2.967 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.474 3.989 -0.732 1.00 0.00 H new ATOM 66 N ASP A 8 3.061 0.835 -1.570 1.00 0.00 N ATOM 67 CA ASP A 8 2.426 -0.414 -1.952 1.00 0.00 C ATOM 68 C ASP A 8 3.503 -1.464 -2.232 1.00 0.00 C ATOM 69 O ASP A 8 4.558 -1.146 -2.779 1.00 0.00 O ATOM 70 CB ASP A 8 1.592 -0.242 -3.224 1.00 0.00 C ATOM 71 CG ASP A 8 0.078 -0.310 -3.018 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.394 -1.400 -2.628 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.574 0.730 -3.255 1.00 0.00 O ATOM 0 H ASP A 8 4.080 0.804 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 8 1.776 -0.726 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.839 0.719 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.882 -1.014 -3.937 1.00 0.00 H new ATOM 78 N LYS A 9 3.200 -2.695 -1.844 1.00 0.00 N ATOM 79 CA LYS A 9 4.129 -3.793 -2.046 1.00 0.00 C ATOM 80 C LYS A 9 3.377 -4.991 -2.631 1.00 0.00 C ATOM 81 O LYS A 9 3.725 -6.139 -2.361 1.00 0.00 O ATOM 82 CB LYS A 9 4.875 -4.110 -0.749 1.00 0.00 C ATOM 83 CG LYS A 9 3.915 -4.635 0.321 1.00 0.00 C ATOM 84 CD LYS A 9 3.276 -3.483 1.099 1.00 0.00 C ATOM 85 CE LYS A 9 1.853 -3.836 1.532 1.00 0.00 C ATOM 86 NZ LYS A 9 1.875 -4.661 2.761 1.00 0.00 N ATOM 0 H LYS A 9 2.324 -2.955 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 9 4.897 -3.514 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.650 -4.852 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.376 -3.213 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.137 -5.237 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.453 -5.288 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.880 -3.253 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.259 -2.586 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.284 -2.924 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.347 -4.377 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.901 -4.892 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.401 -5.540 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.339 -4.131 3.526 1.00 0.00 H new ATOM 100 N GLU A 10 2.360 -4.681 -3.422 1.00 0.00 N ATOM 101 CA GLU A 10 1.555 -5.717 -4.047 1.00 0.00 C ATOM 102 C GLU A 10 2.457 -6.764 -4.706 1.00 0.00 C ATOM 103 O GLU A 10 3.616 -6.486 -5.010 1.00 0.00 O ATOM 104 CB GLU A 10 0.580 -5.117 -5.062 1.00 0.00 C ATOM 105 CG GLU A 10 -0.600 -4.445 -4.357 1.00 0.00 C ATOM 106 CD GLU A 10 -1.231 -3.372 -5.246 1.00 0.00 C ATOM 107 OE1 GLU A 10 -1.816 -3.763 -6.279 1.00 0.00 O ATOM 108 OE2 GLU A 10 -1.113 -2.185 -4.873 1.00 0.00 O ATOM 0 H GLU A 10 2.075 -3.727 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 10 0.965 -6.208 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.100 -4.388 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.214 -5.900 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.348 -5.194 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.262 -3.996 -3.423 1.00 0.00 H new ATOM 115 N TRP A 11 1.890 -7.944 -4.906 1.00 0.00 N ATOM 116 CA TRP A 11 2.628 -9.034 -5.523 1.00 0.00 C ATOM 117 C TRP A 11 2.262 -9.071 -7.008 1.00 0.00 C ATOM 118 O TRP A 11 1.519 -8.217 -7.490 1.00 0.00 O ATOM 119 CB TRP A 11 2.353 -10.357 -4.806 1.00 0.00 C ATOM 120 CG TRP A 11 2.792 -10.373 -3.340 1.00 0.00 C ATOM 121 CD1 TRP A 11 3.165 -9.335 -2.579 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.887 -11.531 -2.484 1.00 0.00 C ATOM 123 NE1 TRP A 11 3.493 -9.738 -1.300 1.00 0.00 N ATOM 124 CE2 TRP A 11 3.319 -11.115 -1.241 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.618 -12.885 -2.751 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.519 -11.991 -0.167 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.823 -13.747 -1.667 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.258 -13.344 -0.410 1.00 0.00 C ATOM 0 H TRP A 11 0.928 -8.170 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 11 3.702 -8.873 -5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.286 -10.571 -4.857 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.865 -11.160 -5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.204 -8.312 -2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.806 -9.136 -0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.280 -13.233 -3.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.857 -11.641 0.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.630 -14.799 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.394 -14.072 0.376 1.00 0.00 H new ATOM 139 N ASN A 12 2.799 -10.070 -7.692 1.00 0.00 N ATOM 140 CA ASN A 12 2.539 -10.230 -9.112 1.00 0.00 C ATOM 141 C ASN A 12 1.810 -11.555 -9.347 1.00 0.00 C ATOM 142 O ASN A 12 1.797 -12.423 -8.475 1.00 0.00 O ATOM 143 CB ASN A 12 3.843 -10.261 -9.912 1.00 0.00 C ATOM 144 CG ASN A 12 4.626 -11.546 -9.636 1.00 0.00 C ATOM 145 OD1 ASN A 12 4.416 -12.231 -8.649 1.00 0.00 O ATOM 146 ND2 ASN A 12 5.538 -11.832 -10.560 1.00 0.00 N ATOM 0 H ASN A 12 3.413 -10.777 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 12 1.934 -9.385 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.622 -10.187 -10.977 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.454 -9.396 -9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.114 -12.669 -10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.662 -11.215 -11.362 1.00 0.00 H new ATOM 153 N GLU A 13 1.220 -11.669 -10.528 1.00 0.00 N ATOM 154 CA GLU A 13 0.491 -12.873 -10.887 1.00 0.00 C ATOM 155 C GLU A 13 1.303 -14.116 -10.517 1.00 0.00 C ATOM 156 O GLU A 13 0.794 -15.021 -9.859 1.00 0.00 O ATOM 157 CB GLU A 13 0.135 -12.875 -12.375 1.00 0.00 C ATOM 158 CG GLU A 13 -1.277 -12.328 -12.601 1.00 0.00 C ATOM 159 CD GLU A 13 -2.256 -13.457 -12.928 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.666 -14.148 -11.970 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.573 -13.604 -14.128 1.00 0.00 O ATOM 0 H GLU A 13 1.232 -10.947 -11.248 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.442 -12.891 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.856 -12.271 -12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.203 -13.889 -12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.612 -11.798 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.265 -11.605 -13.417 1.00 0.00 H new ATOM 168 N LYS A 14 2.553 -14.119 -10.956 1.00 0.00 N ATOM 169 CA LYS A 14 3.441 -15.236 -10.679 1.00 0.00 C ATOM 170 C LYS A 14 3.381 -15.572 -9.188 1.00 0.00 C ATOM 171 O LYS A 14 3.207 -16.731 -8.816 1.00 0.00 O ATOM 172 CB LYS A 14 4.853 -14.936 -11.186 1.00 0.00 C ATOM 173 CG LYS A 14 5.227 -15.860 -12.347 1.00 0.00 C ATOM 174 CD LYS A 14 6.712 -15.732 -12.693 1.00 0.00 C ATOM 175 CE LYS A 14 7.377 -17.108 -12.770 1.00 0.00 C ATOM 176 NZ LYS A 14 8.700 -17.082 -12.108 1.00 0.00 N ATOM 0 H LYS A 14 2.972 -13.366 -11.502 1.00 0.00 H new ATOM 0 HA LYS A 14 3.115 -16.125 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.914 -13.897 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.569 -15.059 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.999 -16.893 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.624 -15.614 -13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.824 -15.216 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.213 -15.123 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.740 -17.853 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.491 -17.405 -13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.137 -18.024 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.311 -16.385 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.583 -16.819 -11.109 1.00 0.00 H new ATOM 190 N GLU A 15 3.528 -14.537 -8.374 1.00 0.00 N ATOM 191 CA GLU A 15 3.493 -14.707 -6.932 1.00 0.00 C ATOM 192 C GLU A 15 2.091 -15.123 -6.481 1.00 0.00 C ATOM 193 O GLU A 15 1.937 -16.083 -5.728 1.00 0.00 O ATOM 194 CB GLU A 15 3.943 -13.431 -6.218 1.00 0.00 C ATOM 195 CG GLU A 15 5.435 -13.176 -6.439 1.00 0.00 C ATOM 196 CD GLU A 15 5.734 -11.676 -6.483 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.758 -10.900 -6.394 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.932 -11.340 -6.605 1.00 0.00 O ATOM 0 H GLU A 15 3.672 -13.577 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 15 4.191 -15.500 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.367 -12.582 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.739 -13.516 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.010 -13.642 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.753 -13.641 -7.372 1.00 0.00 H new ATOM 205 N LEU A 16 1.105 -14.380 -6.961 1.00 0.00 N ATOM 206 CA LEU A 16 -0.279 -14.659 -6.616 1.00 0.00 C ATOM 207 C LEU A 16 -0.591 -16.124 -6.926 1.00 0.00 C ATOM 208 O LEU A 16 -0.763 -16.932 -6.015 1.00 0.00 O ATOM 209 CB LEU A 16 -1.215 -13.670 -7.313 1.00 0.00 C ATOM 210 CG LEU A 16 -1.382 -12.310 -6.632 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.779 -12.478 -5.164 1.00 0.00 C ATOM 212 CD2 LEU A 16 -0.121 -11.458 -6.791 1.00 0.00 C ATOM 0 H LEU A 16 1.237 -13.585 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.442 -14.517 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.847 -13.504 -8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.198 -14.132 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.194 -11.777 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.891 -11.497 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.724 -13.018 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.005 -13.039 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.267 -10.497 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.726 -11.974 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.077 -11.296 -7.850 1.00 0.00 H new ATOM 224 N GLN A 17 -0.655 -16.423 -8.216 1.00 0.00 N ATOM 225 CA GLN A 17 -0.943 -17.776 -8.658 1.00 0.00 C ATOM 226 C GLN A 17 -0.226 -18.790 -7.764 1.00 0.00 C ATOM 227 O GLN A 17 -0.786 -19.832 -7.427 1.00 0.00 O ATOM 228 CB GLN A 17 -0.557 -17.968 -10.125 1.00 0.00 C ATOM 229 CG GLN A 17 0.963 -18.052 -10.286 1.00 0.00 C ATOM 230 CD GLN A 17 1.345 -18.360 -11.735 1.00 0.00 C ATOM 231 OE1 GLN A 17 1.859 -19.418 -12.058 1.00 0.00 O ATOM 232 NE2 GLN A 17 1.065 -17.378 -12.588 1.00 0.00 N ATOM 0 H GLN A 17 -0.512 -15.750 -8.969 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.017 -17.944 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.018 -18.878 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.944 -17.139 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.417 -17.110 -9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.360 -18.826 -9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.634 -16.517 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.281 -17.486 -13.579 1.00 0.00 H new ATOM 241 N LYS A 18 1.004 -18.451 -7.408 1.00 0.00 N ATOM 242 CA LYS A 18 1.805 -19.319 -6.561 1.00 0.00 C ATOM 243 C LYS A 18 1.133 -19.449 -5.192 1.00 0.00 C ATOM 244 O LYS A 18 0.865 -20.557 -4.731 1.00 0.00 O ATOM 245 CB LYS A 18 3.248 -18.817 -6.491 1.00 0.00 C ATOM 246 CG LYS A 18 4.071 -19.349 -7.667 1.00 0.00 C ATOM 247 CD LYS A 18 5.570 -19.222 -7.389 1.00 0.00 C ATOM 248 CE LYS A 18 6.211 -18.181 -8.309 1.00 0.00 C ATOM 249 NZ LYS A 18 7.675 -18.388 -8.385 1.00 0.00 N ATOM 0 H LYS A 18 1.466 -17.587 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 18 1.861 -20.321 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.259 -17.727 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.702 -19.134 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.819 -20.394 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.817 -18.797 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.728 -18.939 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.054 -20.188 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.776 -18.251 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.998 -17.179 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.095 -17.673 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.088 -18.299 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.872 -19.338 -8.760 1.00 0.00 H new ATOM 263 N LEU A 19 0.880 -18.301 -4.581 1.00 0.00 N ATOM 264 CA LEU A 19 0.244 -18.273 -3.275 1.00 0.00 C ATOM 265 C LEU A 19 -1.079 -19.039 -3.339 1.00 0.00 C ATOM 266 O LEU A 19 -1.293 -19.979 -2.576 1.00 0.00 O ATOM 267 CB LEU A 19 0.097 -16.832 -2.781 1.00 0.00 C ATOM 268 CG LEU A 19 -0.800 -16.630 -1.558 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.151 -17.210 -0.300 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.168 -15.155 -1.386 1.00 0.00 C ATOM 0 H LEU A 19 1.104 -17.383 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 19 0.869 -18.777 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.089 -16.446 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.295 -16.227 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.729 -17.176 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.809 -17.053 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.017 -18.278 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.802 -16.713 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.806 -15.039 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.260 -14.566 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.701 -14.807 -2.271 1.00 0.00 H new ATOM 282 N HIS A 20 -1.931 -18.607 -4.257 1.00 0.00 N ATOM 283 CA HIS A 20 -3.227 -19.241 -4.431 1.00 0.00 C ATOM 284 C HIS A 20 -3.035 -20.726 -4.742 1.00 0.00 C ATOM 285 O HIS A 20 -3.510 -21.586 -4.002 1.00 0.00 O ATOM 286 CB HIS A 20 -4.048 -18.514 -5.498 1.00 0.00 C ATOM 287 CG HIS A 20 -4.395 -17.088 -5.140 1.00 0.00 C ATOM 288 ND1 HIS A 20 -5.697 -16.618 -5.111 1.00 0.00 N ATOM 289 CD2 HIS A 20 -3.598 -16.036 -4.796 1.00 0.00 C ATOM 290 CE1 HIS A 20 -5.672 -15.340 -4.764 1.00 0.00 C ATOM 291 NE2 HIS A 20 -4.371 -14.981 -4.570 1.00 0.00 N ATOM 0 H HIS A 20 -1.750 -17.826 -4.888 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.797 -19.170 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.491 -18.517 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.970 -19.069 -5.673 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -6.533 -17.163 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.521 -16.058 -4.720 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.531 -14.695 -4.654 1.00 0.00 H new ATOM 299 N CYS A 21 -2.336 -20.983 -5.838 1.00 0.00 N ATOM 300 CA CYS A 21 -2.075 -22.350 -6.256 1.00 0.00 C ATOM 301 C CYS A 21 -1.735 -23.176 -5.013 1.00 0.00 C ATOM 302 O CYS A 21 -2.526 -24.016 -4.587 1.00 0.00 O ATOM 303 CB CYS A 21 -0.965 -22.418 -7.307 1.00 0.00 C ATOM 304 SG CYS A 21 -0.659 -24.159 -7.783 1.00 0.00 S ATOM 0 H CYS A 21 -1.942 -20.268 -6.449 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.964 -22.763 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.248 -21.837 -8.185 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.051 -21.974 -6.912 1.00 0.00 H new ATOM 0 HG CYS A 21 0.283 -24.205 -8.677 1.00 0.00 H new ATOM 310 N ALA A 22 -0.558 -22.908 -4.468 1.00 0.00 N ATOM 311 CA ALA A 22 -0.104 -23.615 -3.283 1.00 0.00 C ATOM 312 C ALA A 22 -1.248 -23.689 -2.269 1.00 0.00 C ATOM 313 O ALA A 22 -1.733 -24.775 -1.954 1.00 0.00 O ATOM 314 CB ALA A 22 1.134 -22.918 -2.715 1.00 0.00 C ATOM 0 H ALA A 22 0.095 -22.211 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 22 0.183 -24.637 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.474 -23.449 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.927 -22.918 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.884 -21.890 -2.451 1.00 0.00 H new ATOM 320 N PHE A 23 -1.645 -22.521 -1.786 1.00 0.00 N ATOM 321 CA PHE A 23 -2.722 -22.440 -0.815 1.00 0.00 C ATOM 322 C PHE A 23 -3.860 -23.397 -1.176 1.00 0.00 C ATOM 323 O PHE A 23 -4.552 -23.906 -0.295 1.00 0.00 O ATOM 324 CB PHE A 23 -3.249 -21.004 -0.850 1.00 0.00 C ATOM 325 CG PHE A 23 -4.654 -20.842 -0.266 1.00 0.00 C ATOM 326 CD1 PHE A 23 -5.745 -21.034 -1.055 1.00 0.00 C ATOM 327 CD2 PHE A 23 -4.812 -20.507 1.043 1.00 0.00 C ATOM 328 CE1 PHE A 23 -7.049 -20.884 -0.513 1.00 0.00 C ATOM 329 CE2 PHE A 23 -6.116 -20.357 1.585 1.00 0.00 C ATOM 330 CZ PHE A 23 -7.207 -20.549 0.795 1.00 0.00 C ATOM 0 H PHE A 23 -1.240 -21.623 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.353 -22.714 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.562 -20.362 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.253 -20.655 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.620 -21.301 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.946 -20.355 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.915 -21.036 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.242 -20.091 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.199 -20.435 1.207 1.00 0.00 H new ATOM 340 N ALA A 24 -4.018 -23.614 -2.474 1.00 0.00 N ATOM 341 CA ALA A 24 -5.060 -24.501 -2.963 1.00 0.00 C ATOM 342 C ALA A 24 -4.561 -25.946 -2.906 1.00 0.00 C ATOM 343 O ALA A 24 -5.191 -26.800 -2.284 1.00 0.00 O ATOM 344 CB ALA A 24 -5.468 -24.080 -4.376 1.00 0.00 C ATOM 0 H ALA A 24 -3.442 -23.191 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.948 -24.434 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.250 -24.746 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.842 -23.057 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.603 -24.138 -5.037 1.00 0.00 H new ATOM 350 N SER A 25 -3.435 -26.176 -3.565 1.00 0.00 N ATOM 351 CA SER A 25 -2.844 -27.503 -3.598 1.00 0.00 C ATOM 352 C SER A 25 -2.623 -28.012 -2.172 1.00 0.00 C ATOM 353 O SER A 25 -3.090 -29.093 -1.816 1.00 0.00 O ATOM 354 CB SER A 25 -1.524 -27.500 -4.372 1.00 0.00 C ATOM 355 OG SER A 25 -0.885 -28.773 -4.342 1.00 0.00 O ATOM 0 H SER A 25 -2.916 -25.465 -4.081 1.00 0.00 H new ATOM 0 HA SER A 25 -3.533 -28.172 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.711 -27.213 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.857 -26.749 -3.948 1.00 0.00 H new ATOM 0 HG SER A 25 -0.047 -28.730 -4.848 1.00 0.00 H new ATOM 361 N LEU A 26 -1.909 -27.210 -1.396 1.00 0.00 N ATOM 362 CA LEU A 26 -1.620 -27.566 -0.017 1.00 0.00 C ATOM 363 C LEU A 26 -2.843 -27.263 0.851 1.00 0.00 C ATOM 364 O LEU A 26 -3.511 -26.249 0.656 1.00 0.00 O ATOM 365 CB LEU A 26 -0.342 -26.873 0.458 1.00 0.00 C ATOM 366 CG LEU A 26 0.971 -27.441 -0.086 1.00 0.00 C ATOM 367 CD1 LEU A 26 2.022 -26.340 -0.239 1.00 0.00 C ATOM 368 CD2 LEU A 26 1.472 -28.595 0.785 1.00 0.00 C ATOM 0 H LEU A 26 -1.522 -26.315 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.426 -28.635 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.400 -25.820 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.311 -26.918 1.547 1.00 0.00 H new ATOM 0 HG LEU A 26 0.782 -27.847 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.945 -26.770 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.656 -25.581 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.214 -25.883 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.406 -28.980 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.640 -28.238 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.727 -29.390 0.799 1.00 0.00 H new ATOM 380 N PRO A 27 -3.106 -28.185 1.816 1.00 0.00 N ATOM 381 CA PRO A 27 -4.237 -28.026 2.714 1.00 0.00 C ATOM 382 C PRO A 27 -3.953 -26.953 3.768 1.00 0.00 C ATOM 383 O PRO A 27 -2.796 -26.646 4.051 1.00 0.00 O ATOM 384 CB PRO A 27 -4.458 -29.404 3.316 1.00 0.00 C ATOM 385 CG PRO A 27 -3.164 -30.170 3.090 1.00 0.00 C ATOM 386 CD PRO A 27 -2.336 -29.398 2.076 1.00 0.00 C ATOM 0 HA PRO A 27 -5.135 -27.680 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.690 -29.333 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.299 -29.908 2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.616 -30.279 4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.374 -31.175 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.347 -29.163 2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.187 -29.976 1.164 1.00 0.00 H new ATOM 394 N LYS A 28 -5.030 -26.411 4.319 1.00 0.00 N ATOM 395 CA LYS A 28 -4.912 -25.379 5.334 1.00 0.00 C ATOM 396 C LYS A 28 -4.945 -26.027 6.720 1.00 0.00 C ATOM 397 O LYS A 28 -4.830 -25.339 7.734 1.00 0.00 O ATOM 398 CB LYS A 28 -5.981 -24.304 5.132 1.00 0.00 C ATOM 399 CG LYS A 28 -5.766 -23.558 3.814 1.00 0.00 C ATOM 400 CD LYS A 28 -6.242 -24.396 2.626 1.00 0.00 C ATOM 401 CE LYS A 28 -7.147 -23.576 1.704 1.00 0.00 C ATOM 402 NZ LYS A 28 -8.251 -24.412 1.183 1.00 0.00 N ATOM 0 H LYS A 28 -5.988 -26.668 4.081 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.955 -24.864 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.969 -24.764 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.954 -23.598 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.306 -22.611 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.709 -23.319 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.381 -24.761 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.782 -25.271 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.554 -22.724 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.564 -23.175 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.855 -23.840 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.858 -25.211 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.817 -24.774 1.977 1.00 0.00 H new ATOM 416 N HIS A 29 -5.104 -27.342 6.719 1.00 0.00 N ATOM 417 CA HIS A 29 -5.154 -28.090 7.964 1.00 0.00 C ATOM 418 C HIS A 29 -3.732 -28.413 8.426 1.00 0.00 C ATOM 419 O HIS A 29 -3.535 -28.937 9.522 1.00 0.00 O ATOM 420 CB HIS A 29 -6.026 -29.338 7.813 1.00 0.00 C ATOM 421 CG HIS A 29 -7.173 -29.172 6.845 1.00 0.00 C ATOM 422 ND1 HIS A 29 -7.158 -29.702 5.567 1.00 0.00 N ATOM 423 CD2 HIS A 29 -8.369 -28.532 6.982 1.00 0.00 C ATOM 424 CE1 HIS A 29 -8.298 -29.388 4.970 1.00 0.00 C ATOM 425 NE2 HIS A 29 -9.048 -28.662 5.849 1.00 0.00 N ATOM 0 H HIS A 29 -5.200 -27.909 5.876 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.621 -27.482 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.401 -30.167 7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.425 -29.610 8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.707 -28.008 7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.584 -29.659 3.964 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.977 -28.282 5.666 1.00 0.00 H new ATOM 433 N LYS A 30 -2.776 -28.088 7.568 1.00 0.00 N ATOM 434 CA LYS A 30 -1.378 -28.337 7.874 1.00 0.00 C ATOM 435 C LYS A 30 -0.881 -27.280 8.863 1.00 0.00 C ATOM 436 O LYS A 30 -1.508 -26.234 9.027 1.00 0.00 O ATOM 437 CB LYS A 30 -0.553 -28.412 6.588 1.00 0.00 C ATOM 438 CG LYS A 30 -0.089 -29.844 6.317 1.00 0.00 C ATOM 439 CD LYS A 30 0.132 -30.075 4.821 1.00 0.00 C ATOM 440 CE LYS A 30 0.370 -31.557 4.524 1.00 0.00 C ATOM 441 NZ LYS A 30 -0.877 -32.331 4.719 1.00 0.00 N ATOM 0 H LYS A 30 -2.943 -27.654 6.660 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.261 -29.307 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.149 -28.054 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.313 -27.754 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.836 -30.039 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.832 -30.548 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.736 -29.724 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.987 -29.491 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.723 -31.677 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.151 -31.944 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.691 -33.137 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.603 -31.719 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.215 -32.682 3.800 1.00 0.00 H new ATOM 455 N PRO A 31 0.270 -27.598 9.513 1.00 0.00 N ATOM 456 CA PRO A 31 0.858 -26.688 10.481 1.00 0.00 C ATOM 457 C PRO A 31 1.538 -25.508 9.783 1.00 0.00 C ATOM 458 O PRO A 31 0.998 -24.403 9.757 1.00 0.00 O ATOM 459 CB PRO A 31 1.827 -27.541 11.285 1.00 0.00 C ATOM 460 CG PRO A 31 2.090 -28.778 10.442 1.00 0.00 C ATOM 461 CD PRO A 31 1.040 -28.827 9.345 1.00 0.00 C ATOM 0 HA PRO A 31 0.114 -26.231 11.133 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.752 -27.000 11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.401 -27.810 12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.091 -28.740 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.041 -29.676 11.057 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.500 -28.874 8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.406 -29.708 9.443 1.00 0.00 H new ATOM 469 N GLY A 32 2.712 -25.783 9.234 1.00 0.00 N ATOM 470 CA GLY A 32 3.470 -24.758 8.537 1.00 0.00 C ATOM 471 C GLY A 32 2.921 -24.533 7.127 1.00 0.00 C ATOM 472 O GLY A 32 3.675 -24.534 6.156 1.00 0.00 O ATOM 0 H GLY A 32 3.157 -26.701 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.430 -23.825 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.518 -25.051 8.480 1.00 0.00 H new ATOM 476 N PHE A 33 1.611 -24.346 7.060 1.00 0.00 N ATOM 477 CA PHE A 33 0.952 -24.120 5.785 1.00 0.00 C ATOM 478 C PHE A 33 1.606 -22.963 5.027 1.00 0.00 C ATOM 479 O PHE A 33 1.717 -23.002 3.802 1.00 0.00 O ATOM 480 CB PHE A 33 -0.502 -23.755 6.091 1.00 0.00 C ATOM 481 CG PHE A 33 -1.310 -23.331 4.863 1.00 0.00 C ATOM 482 CD1 PHE A 33 -1.525 -24.215 3.852 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.811 -22.070 4.781 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.275 -23.822 2.712 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.561 -21.676 3.641 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.777 -22.560 2.631 1.00 0.00 C ATOM 0 H PHE A 33 0.988 -24.346 7.868 1.00 0.00 H new ATOM 0 HA PHE A 33 1.026 -25.014 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.990 -24.611 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.517 -22.945 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.125 -25.216 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.639 -21.367 5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.447 -24.524 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.960 -20.674 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.347 -22.260 1.764 1.00 0.00 H new ATOM 496 N TRP A 34 2.022 -21.960 5.786 1.00 0.00 N ATOM 497 CA TRP A 34 2.662 -20.794 5.201 1.00 0.00 C ATOM 498 C TRP A 34 4.027 -21.225 4.661 1.00 0.00 C ATOM 499 O TRP A 34 4.344 -20.979 3.498 1.00 0.00 O ATOM 500 CB TRP A 34 2.754 -19.652 6.216 1.00 0.00 C ATOM 501 CG TRP A 34 1.412 -18.987 6.528 1.00 0.00 C ATOM 502 CD1 TRP A 34 0.848 -18.791 7.727 1.00 0.00 C ATOM 503 CD2 TRP A 34 0.484 -18.434 5.571 1.00 0.00 C ATOM 504 NE1 TRP A 34 -0.372 -18.155 7.614 1.00 0.00 N ATOM 505 CE2 TRP A 34 -0.600 -17.931 6.261 1.00 0.00 C ATOM 506 CE3 TRP A 34 0.558 -18.362 4.169 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -1.692 -17.320 5.633 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -0.542 -17.749 3.556 1.00 0.00 C ATOM 509 CH2 TRP A 34 -1.641 -17.237 4.237 1.00 0.00 C ATOM 0 H TRP A 34 1.928 -21.931 6.801 1.00 0.00 H new ATOM 0 HA TRP A 34 2.069 -20.402 4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.181 -20.036 7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.442 -18.897 5.837 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.292 -19.093 8.664 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.992 -17.897 8.382 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.397 -18.749 3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.529 -16.933 6.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.536 -17.668 2.479 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.452 -16.777 3.691 1.00 0.00 H new ATOM 520 N SER A 35 4.798 -21.861 5.531 1.00 0.00 N ATOM 521 CA SER A 35 6.122 -22.329 5.156 1.00 0.00 C ATOM 522 C SER A 35 6.042 -23.139 3.860 1.00 0.00 C ATOM 523 O SER A 35 6.969 -23.115 3.051 1.00 0.00 O ATOM 524 CB SER A 35 6.745 -23.171 6.271 1.00 0.00 C ATOM 525 OG SER A 35 6.475 -24.560 6.105 1.00 0.00 O ATOM 0 H SER A 35 4.531 -22.063 6.495 1.00 0.00 H new ATOM 0 HA SER A 35 6.760 -21.460 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.823 -23.011 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.359 -22.839 7.235 1.00 0.00 H new ATOM 0 HG SER A 35 5.506 -24.707 6.105 1.00 0.00 H new ATOM 531 N GLU A 36 4.927 -23.837 3.703 1.00 0.00 N ATOM 532 CA GLU A 36 4.715 -24.652 2.520 1.00 0.00 C ATOM 533 C GLU A 36 4.473 -23.763 1.298 1.00 0.00 C ATOM 534 O GLU A 36 5.272 -23.757 0.363 1.00 0.00 O ATOM 535 CB GLU A 36 3.554 -25.627 2.726 1.00 0.00 C ATOM 536 CG GLU A 36 3.893 -26.665 3.797 1.00 0.00 C ATOM 537 CD GLU A 36 2.773 -27.698 3.935 1.00 0.00 C ATOM 538 OE1 GLU A 36 1.679 -27.424 3.395 1.00 0.00 O ATOM 539 OE2 GLU A 36 3.035 -28.738 4.577 1.00 0.00 O ATOM 0 H GLU A 36 4.161 -23.855 4.376 1.00 0.00 H new ATOM 0 HA GLU A 36 5.615 -25.241 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.660 -25.077 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.326 -26.130 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.826 -27.167 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.053 -26.167 4.753 1.00 0.00 H new ATOM 546 N VAL A 37 3.369 -23.033 1.346 1.00 0.00 N ATOM 547 CA VAL A 37 3.012 -22.142 0.255 1.00 0.00 C ATOM 548 C VAL A 37 4.189 -21.212 -0.043 1.00 0.00 C ATOM 549 O VAL A 37 4.321 -20.709 -1.158 1.00 0.00 O ATOM 550 CB VAL A 37 1.725 -21.388 0.595 1.00 0.00 C ATOM 551 CG1 VAL A 37 0.678 -22.331 1.193 1.00 0.00 C ATOM 552 CG2 VAL A 37 2.008 -20.216 1.537 1.00 0.00 C ATOM 0 H VAL A 37 2.709 -23.040 2.124 1.00 0.00 H new ATOM 0 HA VAL A 37 2.809 -22.711 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 37 1.320 -20.982 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.227 -21.769 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.443 -23.116 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.071 -22.780 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.076 -19.697 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.448 -20.590 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.702 -19.524 1.059 1.00 0.00 H new ATOM 562 N ALA A 38 5.015 -21.010 0.974 1.00 0.00 N ATOM 563 CA ALA A 38 6.177 -20.149 0.834 1.00 0.00 C ATOM 564 C ALA A 38 7.242 -20.867 0.002 1.00 0.00 C ATOM 565 O ALA A 38 8.090 -20.224 -0.614 1.00 0.00 O ATOM 566 CB ALA A 38 6.689 -19.754 2.221 1.00 0.00 C ATOM 0 H ALA A 38 4.902 -21.428 1.898 1.00 0.00 H new ATOM 0 HA ALA A 38 5.913 -19.231 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.561 -19.108 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.905 -19.222 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.966 -20.651 2.776 1.00 0.00 H new ATOM 572 N ALA A 39 7.162 -22.189 0.011 1.00 0.00 N ATOM 573 CA ALA A 39 8.108 -23.001 -0.735 1.00 0.00 C ATOM 574 C ALA A 39 8.012 -22.652 -2.221 1.00 0.00 C ATOM 575 O ALA A 39 9.011 -22.296 -2.845 1.00 0.00 O ATOM 576 CB ALA A 39 7.834 -24.482 -0.465 1.00 0.00 C ATOM 0 H ALA A 39 6.456 -22.718 0.523 1.00 0.00 H new ATOM 0 HA ALA A 39 9.129 -22.794 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.544 -25.091 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.944 -24.684 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.819 -24.727 -0.778 1.00 0.00 H new ATOM 582 N ALA A 40 6.801 -22.765 -2.746 1.00 0.00 N ATOM 583 CA ALA A 40 6.562 -22.466 -4.148 1.00 0.00 C ATOM 584 C ALA A 40 6.551 -20.949 -4.346 1.00 0.00 C ATOM 585 O ALA A 40 6.971 -20.453 -5.391 1.00 0.00 O ATOM 586 CB ALA A 40 5.254 -23.121 -4.594 1.00 0.00 C ATOM 0 H ALA A 40 5.975 -23.060 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 40 7.359 -22.874 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.075 -22.897 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.323 -24.200 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.430 -22.733 -3.995 1.00 0.00 H new ATOM 592 N VAL A 41 6.067 -20.254 -3.327 1.00 0.00 N ATOM 593 CA VAL A 41 5.996 -18.804 -3.376 1.00 0.00 C ATOM 594 C VAL A 41 7.336 -18.216 -2.929 1.00 0.00 C ATOM 595 O VAL A 41 7.453 -17.008 -2.730 1.00 0.00 O ATOM 596 CB VAL A 41 4.816 -18.309 -2.537 1.00 0.00 C ATOM 597 CG1 VAL A 41 4.758 -16.780 -2.522 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.499 -18.904 -3.039 1.00 0.00 C ATOM 0 H VAL A 41 5.720 -20.669 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 41 5.817 -18.465 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 41 4.967 -18.648 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.911 -16.454 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.680 -16.385 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.642 -16.410 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.676 -18.536 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.338 -18.609 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.543 -19.991 -2.973 1.00 0.00 H new ATOM 608 N GLY A 42 8.314 -19.099 -2.783 1.00 0.00 N ATOM 609 CA GLY A 42 9.641 -18.683 -2.363 1.00 0.00 C ATOM 610 C GLY A 42 9.869 -17.199 -2.657 1.00 0.00 C ATOM 611 O GLY A 42 10.431 -16.478 -1.833 1.00 0.00 O ATOM 0 H GLY A 42 8.213 -20.100 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.764 -18.869 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.393 -19.279 -2.879 1.00 0.00 H new ATOM 615 N SER A 43 9.423 -16.786 -3.834 1.00 0.00 N ATOM 616 CA SER A 43 9.571 -15.401 -4.248 1.00 0.00 C ATOM 617 C SER A 43 9.357 -14.472 -3.051 1.00 0.00 C ATOM 618 O SER A 43 9.926 -13.383 -2.996 1.00 0.00 O ATOM 619 CB SER A 43 8.593 -15.054 -5.372 1.00 0.00 C ATOM 620 OG SER A 43 9.256 -14.493 -6.502 1.00 0.00 O ATOM 0 H SER A 43 8.958 -17.387 -4.515 1.00 0.00 H new ATOM 0 HA SER A 43 10.583 -15.264 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.056 -15.953 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.849 -14.349 -5.001 1.00 0.00 H new ATOM 0 HG SER A 43 8.598 -14.287 -7.198 1.00 0.00 H new ATOM 626 N ARG A 44 8.534 -14.937 -2.122 1.00 0.00 N ATOM 627 CA ARG A 44 8.237 -14.161 -0.930 1.00 0.00 C ATOM 628 C ARG A 44 8.400 -15.027 0.321 1.00 0.00 C ATOM 629 O ARG A 44 8.802 -16.186 0.230 1.00 0.00 O ATOM 630 CB ARG A 44 6.812 -13.606 -0.975 1.00 0.00 C ATOM 631 CG ARG A 44 6.537 -12.907 -2.308 1.00 0.00 C ATOM 632 CD ARG A 44 6.486 -11.388 -2.131 1.00 0.00 C ATOM 633 NE ARG A 44 6.106 -10.742 -3.407 1.00 0.00 N ATOM 634 CZ ARG A 44 6.299 -9.444 -3.678 1.00 0.00 C ATOM 635 NH1 ARG A 44 6.869 -8.646 -2.765 1.00 0.00 N ATOM 636 NH2 ARG A 44 5.922 -8.944 -4.863 1.00 0.00 N ATOM 0 H ARG A 44 8.064 -15.841 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 44 8.938 -13.328 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.098 -14.417 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.666 -12.903 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.315 -13.167 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.592 -13.261 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.767 -11.128 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.458 -11.019 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 44 5.670 -11.321 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.156 -9.027 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.016 -7.658 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.488 -9.551 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.069 -7.956 -5.070 1.00 0.00 H new ATOM 650 N SER A 45 8.080 -14.431 1.460 1.00 0.00 N ATOM 651 CA SER A 45 8.186 -15.133 2.728 1.00 0.00 C ATOM 652 C SER A 45 6.831 -15.734 3.108 1.00 0.00 C ATOM 653 O SER A 45 5.799 -15.337 2.570 1.00 0.00 O ATOM 654 CB SER A 45 8.683 -14.200 3.834 1.00 0.00 C ATOM 655 OG SER A 45 9.105 -12.940 3.321 1.00 0.00 O ATOM 0 H SER A 45 7.747 -13.470 1.531 1.00 0.00 H new ATOM 0 HA SER A 45 8.913 -15.937 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.887 -14.046 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.512 -14.672 4.361 1.00 0.00 H new ATOM 0 HG SER A 45 9.413 -12.373 4.059 1.00 0.00 H new ATOM 661 N PRO A 46 6.880 -16.707 4.057 1.00 0.00 N ATOM 662 CA PRO A 46 5.670 -17.366 4.516 1.00 0.00 C ATOM 663 C PRO A 46 4.865 -16.453 5.444 1.00 0.00 C ATOM 664 O PRO A 46 3.648 -16.589 5.551 1.00 0.00 O ATOM 665 CB PRO A 46 6.149 -18.636 5.201 1.00 0.00 C ATOM 666 CG PRO A 46 7.620 -18.413 5.510 1.00 0.00 C ATOM 667 CD PRO A 46 8.085 -17.202 4.717 1.00 0.00 C ATOM 0 HA PRO A 46 4.986 -17.602 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.583 -18.825 6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.013 -19.503 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.765 -18.249 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.204 -19.293 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.519 -16.444 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.851 -17.474 3.991 1.00 0.00 H new ATOM 675 N GLU A 47 5.579 -15.543 6.090 1.00 0.00 N ATOM 676 CA GLU A 47 4.947 -14.608 7.005 1.00 0.00 C ATOM 677 C GLU A 47 4.201 -13.524 6.225 1.00 0.00 C ATOM 678 O GLU A 47 3.281 -12.898 6.749 1.00 0.00 O ATOM 679 CB GLU A 47 5.976 -13.990 7.954 1.00 0.00 C ATOM 680 CG GLU A 47 6.625 -15.062 8.833 1.00 0.00 C ATOM 681 CD GLU A 47 6.448 -14.735 10.317 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.983 -13.684 10.734 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.783 -15.542 11.001 1.00 0.00 O ATOM 0 H GLU A 47 6.589 -15.433 5.998 1.00 0.00 H new ATOM 0 HA GLU A 47 4.224 -15.155 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.744 -13.474 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.493 -13.242 8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.181 -16.033 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.687 -15.137 8.597 1.00 0.00 H new ATOM 690 N GLU A 48 4.625 -13.335 4.984 1.00 0.00 N ATOM 691 CA GLU A 48 4.008 -12.338 4.125 1.00 0.00 C ATOM 692 C GLU A 48 2.797 -12.934 3.404 1.00 0.00 C ATOM 693 O GLU A 48 1.814 -12.238 3.156 1.00 0.00 O ATOM 694 CB GLU A 48 5.019 -11.774 3.125 1.00 0.00 C ATOM 695 CG GLU A 48 6.249 -11.217 3.844 1.00 0.00 C ATOM 696 CD GLU A 48 5.855 -10.118 4.833 1.00 0.00 C ATOM 697 OE1 GLU A 48 5.561 -10.477 5.993 1.00 0.00 O ATOM 698 OE2 GLU A 48 5.857 -8.943 4.405 1.00 0.00 O ATOM 0 H GLU A 48 5.389 -13.856 4.553 1.00 0.00 H new ATOM 0 HA GLU A 48 3.665 -11.513 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.323 -12.556 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.551 -10.987 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.761 -12.021 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.952 -10.818 3.113 1.00 0.00 H new ATOM 705 N CYS A 49 2.909 -14.216 3.089 1.00 0.00 N ATOM 706 CA CYS A 49 1.835 -14.913 2.401 1.00 0.00 C ATOM 707 C CYS A 49 0.554 -14.751 3.221 1.00 0.00 C ATOM 708 O CYS A 49 -0.547 -14.790 2.674 1.00 0.00 O ATOM 709 CB CYS A 49 2.178 -16.385 2.163 1.00 0.00 C ATOM 710 SG CYS A 49 3.702 -16.518 1.158 1.00 0.00 S ATOM 0 H CYS A 49 3.726 -14.790 3.297 1.00 0.00 H new ATOM 0 HA CYS A 49 1.690 -14.477 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.316 -16.894 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.352 -16.882 1.654 1.00 0.00 H new ATOM 0 HG CYS A 49 4.737 -16.269 1.904 1.00 0.00 H new ATOM 716 N GLN A 50 0.740 -14.574 4.521 1.00 0.00 N ATOM 717 CA GLN A 50 -0.387 -14.406 5.422 1.00 0.00 C ATOM 718 C GLN A 50 -0.932 -12.980 5.330 1.00 0.00 C ATOM 719 O GLN A 50 -2.137 -12.780 5.179 1.00 0.00 O ATOM 720 CB GLN A 50 0.005 -14.752 6.861 1.00 0.00 C ATOM 721 CG GLN A 50 -1.141 -14.450 7.828 1.00 0.00 C ATOM 722 CD GLN A 50 -0.664 -14.518 9.281 1.00 0.00 C ATOM 723 OE1 GLN A 50 -1.110 -15.335 10.070 1.00 0.00 O ATOM 724 NE2 GLN A 50 0.264 -13.616 9.588 1.00 0.00 N ATOM 0 H GLN A 50 1.655 -14.543 4.972 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.175 -15.095 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.272 -15.807 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.888 -14.182 7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.546 -13.459 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.950 -15.164 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.593 -12.961 8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.647 -13.579 10.533 1.00 0.00 H new ATOM 733 N ARG A 51 -0.020 -12.024 5.425 1.00 0.00 N ATOM 734 CA ARG A 51 -0.394 -10.622 5.355 1.00 0.00 C ATOM 735 C ARG A 51 -1.058 -10.317 4.010 1.00 0.00 C ATOM 736 O ARG A 51 -2.149 -9.750 3.967 1.00 0.00 O ATOM 737 CB ARG A 51 0.827 -9.716 5.530 1.00 0.00 C ATOM 738 CG ARG A 51 0.815 -9.039 6.902 1.00 0.00 C ATOM 739 CD ARG A 51 2.125 -9.295 7.650 1.00 0.00 C ATOM 740 NE ARG A 51 2.258 -8.344 8.776 1.00 0.00 N ATOM 741 CZ ARG A 51 2.573 -7.049 8.632 1.00 0.00 C ATOM 742 NH1 ARG A 51 2.788 -6.544 7.410 1.00 0.00 N ATOM 743 NH2 ARG A 51 2.672 -6.260 9.711 1.00 0.00 N ATOM 0 H ARG A 51 0.978 -12.193 5.550 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.097 -10.425 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.739 -10.303 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.837 -8.958 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.665 -7.966 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.023 -9.414 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.146 -10.319 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.969 -9.186 6.969 1.00 0.00 H new ATOM 0 HE ARG A 51 2.100 -8.696 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.712 -7.145 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.028 -5.559 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.508 -6.645 10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.912 -5.275 9.602 1.00 0.00 H new ATOM 757 N LYS A 52 -0.373 -10.707 2.946 1.00 0.00 N ATOM 758 CA LYS A 52 -0.882 -10.482 1.604 1.00 0.00 C ATOM 759 C LYS A 52 -2.300 -11.047 1.501 1.00 0.00 C ATOM 760 O LYS A 52 -3.240 -10.321 1.179 1.00 0.00 O ATOM 761 CB LYS A 52 0.083 -11.050 0.562 1.00 0.00 C ATOM 762 CG LYS A 52 -0.613 -11.235 -0.788 1.00 0.00 C ATOM 763 CD LYS A 52 -1.012 -9.886 -1.388 1.00 0.00 C ATOM 764 CE LYS A 52 -0.199 -9.584 -2.649 1.00 0.00 C ATOM 765 NZ LYS A 52 -1.074 -9.043 -3.713 1.00 0.00 N ATOM 0 H LYS A 52 0.531 -11.178 2.986 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.947 -9.414 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.935 -10.380 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.474 -12.007 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.051 -11.760 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.499 -11.857 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.075 -9.891 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.856 -9.097 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.588 -8.867 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.290 -10.493 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.649 -9.235 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.008 -9.497 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.180 -8.016 -3.586 1.00 0.00 H new ATOM 779 N TYR A 53 -2.410 -12.338 1.779 1.00 0.00 N ATOM 780 CA TYR A 53 -3.698 -13.009 1.721 1.00 0.00 C ATOM 781 C TYR A 53 -4.730 -12.291 2.594 1.00 0.00 C ATOM 782 O TYR A 53 -5.831 -11.988 2.137 1.00 0.00 O ATOM 783 CB TYR A 53 -3.466 -14.415 2.279 1.00 0.00 C ATOM 784 CG TYR A 53 -4.635 -15.375 2.050 1.00 0.00 C ATOM 785 CD1 TYR A 53 -5.748 -15.314 2.864 1.00 0.00 C ATOM 786 CD2 TYR A 53 -4.577 -16.303 1.030 1.00 0.00 C ATOM 787 CE1 TYR A 53 -6.848 -16.218 2.649 1.00 0.00 C ATOM 788 CE2 TYR A 53 -5.677 -17.207 0.815 1.00 0.00 C ATOM 789 CZ TYR A 53 -6.758 -17.120 1.635 1.00 0.00 C ATOM 790 OH TYR A 53 -7.797 -17.973 1.432 1.00 0.00 O ATOM 0 H TYR A 53 -1.629 -12.937 2.045 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.079 -13.022 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.570 -14.834 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.272 -14.343 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.794 -14.588 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.706 -16.351 0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.725 -16.181 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.644 -17.938 0.020 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.550 -18.869 1.742 1.00 0.00 H new ATOM 800 N MET A 54 -4.337 -12.039 3.834 1.00 0.00 N ATOM 801 CA MET A 54 -5.214 -11.363 4.774 1.00 0.00 C ATOM 802 C MET A 54 -5.883 -10.150 4.124 1.00 0.00 C ATOM 803 O MET A 54 -7.081 -9.932 4.295 1.00 0.00 O ATOM 804 CB MET A 54 -4.405 -10.909 5.991 1.00 0.00 C ATOM 805 CG MET A 54 -4.367 -12.001 7.062 1.00 0.00 C ATOM 806 SD MET A 54 -4.265 -11.262 8.684 1.00 0.00 S ATOM 807 CE MET A 54 -5.979 -10.830 8.936 1.00 0.00 C ATOM 0 H MET A 54 -3.423 -12.291 4.209 1.00 0.00 H new ATOM 0 HA MET A 54 -5.992 -12.061 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.389 -10.660 5.685 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.844 -10.002 6.407 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.260 -12.622 6.992 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.510 -12.655 6.897 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.041 -9.936 9.557 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.451 -10.636 7.973 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.493 -11.653 9.432 1.00 0.00 H new ATOM 817 N GLU A 55 -5.079 -9.392 3.393 1.00 0.00 N ATOM 818 CA GLU A 55 -5.578 -8.206 2.717 1.00 0.00 C ATOM 819 C GLU A 55 -6.592 -8.597 1.640 1.00 0.00 C ATOM 820 O GLU A 55 -7.674 -8.017 1.560 1.00 0.00 O ATOM 821 CB GLU A 55 -4.430 -7.391 2.120 1.00 0.00 C ATOM 822 CG GLU A 55 -3.517 -6.843 3.218 1.00 0.00 C ATOM 823 CD GLU A 55 -3.470 -5.314 3.181 1.00 0.00 C ATOM 824 OE1 GLU A 55 -3.431 -4.776 2.054 1.00 0.00 O ATOM 825 OE2 GLU A 55 -3.474 -4.719 4.280 1.00 0.00 O ATOM 0 H GLU A 55 -4.085 -9.576 3.254 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.081 -7.577 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.852 -8.016 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.832 -6.566 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.874 -7.176 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.511 -7.244 3.093 1.00 0.00 H new ATOM 832 N ASN A 56 -6.206 -9.578 0.837 1.00 0.00 N ATOM 833 CA ASN A 56 -7.067 -10.053 -0.232 1.00 0.00 C ATOM 834 C ASN A 56 -7.333 -11.548 -0.041 1.00 0.00 C ATOM 835 O ASN A 56 -6.738 -12.380 -0.725 1.00 0.00 O ATOM 836 CB ASN A 56 -6.406 -9.861 -1.598 1.00 0.00 C ATOM 837 CG ASN A 56 -6.703 -8.469 -2.160 1.00 0.00 C ATOM 838 OD1 ASN A 56 -7.183 -7.583 -1.472 1.00 0.00 O ATOM 839 ND2 ASN A 56 -6.392 -8.327 -3.445 1.00 0.00 N ATOM 0 H ASN A 56 -5.308 -10.057 0.906 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.995 -9.482 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.328 -9.998 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.767 -10.621 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.553 -7.435 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.993 -9.110 -3.963 1.00 0.00 H new ATOM 846 N PRO A 57 -8.250 -11.852 0.916 1.00 0.00 N ATOM 847 CA PRO A 57 -8.601 -13.231 1.205 1.00 0.00 C ATOM 848 C PRO A 57 -9.501 -13.809 0.111 1.00 0.00 C ATOM 849 O PRO A 57 -9.219 -14.877 -0.431 1.00 0.00 O ATOM 850 CB PRO A 57 -9.274 -13.189 2.567 1.00 0.00 C ATOM 851 CG PRO A 57 -9.692 -11.743 2.781 1.00 0.00 C ATOM 852 CD PRO A 57 -8.974 -10.893 1.745 1.00 0.00 C ATOM 0 HA PRO A 57 -7.733 -13.890 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.137 -13.854 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.591 -13.518 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.772 -11.639 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.434 -11.416 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.680 -10.311 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.293 -10.184 2.217 1.00 0.00 H new ATOM 860 N ARG A 58 -10.567 -13.078 -0.182 1.00 0.00 N ATOM 861 CA ARG A 58 -11.510 -13.504 -1.201 1.00 0.00 C ATOM 862 C ARG A 58 -12.651 -12.492 -1.324 1.00 0.00 C ATOM 863 O ARG A 58 -13.635 -12.569 -0.590 1.00 0.00 O ATOM 864 CB ARG A 58 -12.091 -14.881 -0.873 1.00 0.00 C ATOM 865 CG ARG A 58 -12.590 -15.581 -2.139 1.00 0.00 C ATOM 866 CD ARG A 58 -13.282 -16.902 -1.798 1.00 0.00 C ATOM 867 NE ARG A 58 -12.981 -17.914 -2.835 1.00 0.00 N ATOM 868 CZ ARG A 58 -13.408 -17.840 -4.103 1.00 0.00 C ATOM 869 NH1 ARG A 58 -14.157 -16.802 -4.498 1.00 0.00 N ATOM 870 NH2 ARG A 58 -13.086 -18.805 -4.975 1.00 0.00 N ATOM 0 H ARG A 58 -10.798 -12.193 0.269 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.971 -13.566 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.331 -15.495 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.912 -14.774 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.284 -14.929 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.752 -15.768 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.946 -17.257 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.359 -16.750 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.413 -18.718 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.402 -16.068 -3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.482 -16.746 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.516 -19.595 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.411 -18.749 -5.940 1.00 0.00 H new ATOM 884 N GLY A 59 -12.482 -11.568 -2.259 1.00 0.00 N ATOM 885 CA GLY A 59 -13.486 -10.543 -2.487 1.00 0.00 C ATOM 886 C GLY A 59 -12.835 -9.220 -2.897 1.00 0.00 C ATOM 887 O GLY A 59 -13.040 -8.742 -4.011 1.00 0.00 O ATOM 0 H GLY A 59 -11.665 -11.508 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.175 -10.870 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.075 -10.398 -1.581 1.00 0.00 H new ATOM 891 N LYS A 60 -12.064 -8.666 -1.973 1.00 0.00 N ATOM 892 CA LYS A 60 -11.382 -7.408 -2.223 1.00 0.00 C ATOM 893 C LYS A 60 -12.414 -6.282 -2.311 1.00 0.00 C ATOM 894 O LYS A 60 -13.443 -6.428 -2.969 1.00 0.00 O ATOM 895 CB LYS A 60 -10.488 -7.520 -3.460 1.00 0.00 C ATOM 896 CG LYS A 60 -9.630 -6.265 -3.632 1.00 0.00 C ATOM 897 CD LYS A 60 -10.043 -5.485 -4.882 1.00 0.00 C ATOM 898 CE LYS A 60 -8.933 -4.530 -5.324 1.00 0.00 C ATOM 899 NZ LYS A 60 -8.534 -4.812 -6.721 1.00 0.00 N ATOM 0 H LYS A 60 -11.897 -9.066 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.715 -7.166 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.845 -8.395 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.105 -7.668 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.730 -5.629 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.579 -6.546 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.272 -6.180 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.953 -4.921 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.276 -3.499 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.071 -4.635 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.780 -4.155 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.187 -5.790 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.355 -4.689 -7.348 1.00 0.00 H new ATOM 913 N GLY A 61 -12.103 -5.183 -1.639 1.00 0.00 N ATOM 914 CA GLY A 61 -12.991 -4.033 -1.633 1.00 0.00 C ATOM 915 C GLY A 61 -12.230 -2.755 -1.274 1.00 0.00 C ATOM 916 O GLY A 61 -11.253 -2.404 -1.934 1.00 0.00 O ATOM 0 H GLY A 61 -11.248 -5.065 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.454 -3.922 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.796 -4.195 -0.916 1.00 0.00 H new ATOM 920 N SER A 62 -12.706 -2.094 -0.229 1.00 0.00 N ATOM 921 CA SER A 62 -12.083 -0.863 0.225 1.00 0.00 C ATOM 922 C SER A 62 -12.250 -0.720 1.739 1.00 0.00 C ATOM 923 O SER A 62 -13.267 -1.130 2.297 1.00 0.00 O ATOM 924 CB SER A 62 -12.677 0.352 -0.491 1.00 0.00 C ATOM 925 OG SER A 62 -14.066 0.509 -0.213 1.00 0.00 O ATOM 0 H SER A 62 -13.516 -2.388 0.316 1.00 0.00 H new ATOM 0 HA SER A 62 -11.021 -0.909 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.142 1.251 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.532 0.246 -1.566 1.00 0.00 H new ATOM 0 HG SER A 62 -14.408 1.296 -0.687 1.00 0.00 H new ATOM 931 N GLN A 63 -11.235 -0.137 2.362 1.00 0.00 N ATOM 932 CA GLN A 63 -11.257 0.065 3.800 1.00 0.00 C ATOM 933 C GLN A 63 -10.000 0.814 4.250 1.00 0.00 C ATOM 934 O GLN A 63 -9.065 0.987 3.470 1.00 0.00 O ATOM 935 CB GLN A 63 -11.395 -1.268 4.539 1.00 0.00 C ATOM 936 CG GLN A 63 -10.148 -2.133 4.346 1.00 0.00 C ATOM 937 CD GLN A 63 -10.452 -3.342 3.458 1.00 0.00 C ATOM 938 OE1 GLN A 63 -10.732 -4.433 3.925 1.00 0.00 O ATOM 939 NE2 GLN A 63 -10.381 -3.086 2.154 1.00 0.00 N ATOM 0 H GLN A 63 -10.393 0.201 1.896 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.127 0.672 4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.554 -1.084 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.272 -1.802 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.354 -1.537 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.782 -2.472 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.141 -2.149 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.567 -3.827 1.478 1.00 0.00 H new ATOM 948 N LYS A 64 -10.020 1.237 5.505 1.00 0.00 N ATOM 949 CA LYS A 64 -8.894 1.964 6.067 1.00 0.00 C ATOM 950 C LYS A 64 -9.119 2.162 7.568 1.00 0.00 C ATOM 951 O LYS A 64 -9.318 3.286 8.026 1.00 0.00 O ATOM 952 CB LYS A 64 -8.662 3.268 5.303 1.00 0.00 C ATOM 953 CG LYS A 64 -7.172 3.489 5.034 1.00 0.00 C ATOM 954 CD LYS A 64 -6.797 4.963 5.204 1.00 0.00 C ATOM 955 CE LYS A 64 -5.884 5.430 4.069 1.00 0.00 C ATOM 956 NZ LYS A 64 -6.663 6.158 3.043 1.00 0.00 N ATOM 0 H LYS A 64 -10.798 1.090 6.149 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.975 1.389 5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.206 3.242 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.060 4.105 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.581 2.879 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.929 3.162 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.701 5.572 5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.296 5.107 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.102 6.076 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.388 4.571 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.028 6.468 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.394 5.530 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.116 6.989 3.475 1.00 0.00 H new ATOM 970 N HIS A 65 -9.079 1.052 8.291 1.00 0.00 N ATOM 971 CA HIS A 65 -9.276 1.090 9.730 1.00 0.00 C ATOM 972 C HIS A 65 -8.765 -0.211 10.352 1.00 0.00 C ATOM 973 O HIS A 65 -9.473 -1.216 10.368 1.00 0.00 O ATOM 974 CB HIS A 65 -10.740 1.375 10.071 1.00 0.00 C ATOM 975 CG HIS A 65 -10.927 2.339 11.219 1.00 0.00 C ATOM 976 ND1 HIS A 65 -10.217 3.522 11.328 1.00 0.00 N ATOM 977 CD2 HIS A 65 -11.750 2.282 12.305 1.00 0.00 C ATOM 978 CE1 HIS A 65 -10.603 4.141 12.434 1.00 0.00 C ATOM 979 NE2 HIS A 65 -11.553 3.371 13.038 1.00 0.00 N ATOM 0 H HIS A 65 -8.913 0.122 7.907 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.698 1.909 10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.236 1.777 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.235 0.435 10.315 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.444 1.486 12.530 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.231 5.089 12.794 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.033 3.595 13.910 1.00 0.00 H new ATOM 987 N VAL A 66 -7.538 -0.149 10.850 1.00 0.00 N ATOM 988 CA VAL A 66 -6.924 -1.310 11.472 1.00 0.00 C ATOM 989 C VAL A 66 -6.319 -0.902 12.817 1.00 0.00 C ATOM 990 O VAL A 66 -5.780 0.195 12.952 1.00 0.00 O ATOM 991 CB VAL A 66 -5.901 -1.933 10.520 1.00 0.00 C ATOM 992 CG1 VAL A 66 -6.563 -2.368 9.211 1.00 0.00 C ATOM 993 CG2 VAL A 66 -4.742 -0.970 10.254 1.00 0.00 C ATOM 0 H VAL A 66 -6.953 0.687 10.835 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.672 -2.077 11.672 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.494 -2.822 11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.814 -2.807 8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.337 -3.105 9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.010 -1.502 8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.029 -1.437 9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.126 -0.054 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.244 -0.731 11.194 1.00 0.00 H new ATOM 1003 N THR A 67 -6.428 -1.808 13.777 1.00 0.00 N ATOM 1004 CA THR A 67 -5.899 -1.556 15.107 1.00 0.00 C ATOM 1005 C THR A 67 -5.634 -2.876 15.834 1.00 0.00 C ATOM 1006 O THR A 67 -6.254 -3.893 15.527 1.00 0.00 O ATOM 1007 CB THR A 67 -6.882 -0.644 15.842 1.00 0.00 C ATOM 1008 OG1 THR A 67 -6.660 -0.932 17.220 1.00 0.00 O ATOM 1009 CG2 THR A 67 -8.340 -1.044 15.608 1.00 0.00 C ATOM 0 H THR A 67 -6.875 -2.718 13.661 1.00 0.00 H new ATOM 0 HA THR A 67 -4.936 -1.048 15.060 1.00 0.00 H new ATOM 0 HB THR A 67 -6.732 0.386 15.518 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.256 -0.382 17.769 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.996 -0.364 16.152 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.565 -0.991 14.543 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.499 -2.063 15.962 1.00 0.00 H new ATOM 1017 N SER A 68 -4.713 -2.817 16.785 1.00 0.00 N ATOM 1018 CA SER A 68 -4.359 -3.995 17.558 1.00 0.00 C ATOM 1019 C SER A 68 -3.716 -3.578 18.882 1.00 0.00 C ATOM 1020 O SER A 68 -3.363 -2.414 19.065 1.00 0.00 O ATOM 1021 CB SER A 68 -3.414 -4.906 16.773 1.00 0.00 C ATOM 1022 OG SER A 68 -4.116 -5.937 16.084 1.00 0.00 O ATOM 0 H SER A 68 -4.201 -1.972 17.038 1.00 0.00 H new ATOM 0 HA SER A 68 -5.271 -4.555 17.764 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.849 -4.311 16.056 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.691 -5.353 17.456 1.00 0.00 H new ATOM 0 HG SER A 68 -4.951 -5.577 15.719 1.00 0.00 H new ATOM 1028 N GLY A 69 -3.583 -4.551 19.771 1.00 0.00 N ATOM 1029 CA GLY A 69 -2.989 -4.299 21.073 1.00 0.00 C ATOM 1030 C GLY A 69 -3.732 -5.062 22.172 1.00 0.00 C ATOM 1031 O GLY A 69 -4.762 -4.604 22.663 1.00 0.00 O ATOM 0 H GLY A 69 -3.876 -5.515 19.615 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.941 -4.598 21.063 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.013 -3.231 21.287 1.00 0.00 H new ATOM 1035 N PRO A 70 -3.165 -6.244 22.535 1.00 0.00 N ATOM 1036 CA PRO A 70 -3.762 -7.075 23.566 1.00 0.00 C ATOM 1037 C PRO A 70 -3.511 -6.488 24.957 1.00 0.00 C ATOM 1038 O PRO A 70 -2.707 -5.570 25.111 1.00 0.00 O ATOM 1039 CB PRO A 70 -3.134 -8.447 23.379 1.00 0.00 C ATOM 1040 CG PRO A 70 -1.875 -8.220 22.558 1.00 0.00 C ATOM 1041 CD PRO A 70 -1.945 -6.818 21.975 1.00 0.00 C ATOM 0 HA PRO A 70 -4.847 -7.133 23.482 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.897 -8.902 24.340 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.818 -9.123 22.866 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.988 -8.330 23.181 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.799 -8.961 21.762 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.069 -6.231 22.250 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.983 -6.843 20.886 1.00 0.00 H new ATOM 1049 N SER A 71 -4.215 -7.041 25.934 1.00 0.00 N ATOM 1050 CA SER A 71 -4.079 -6.584 27.306 1.00 0.00 C ATOM 1051 C SER A 71 -3.502 -7.703 28.176 1.00 0.00 C ATOM 1052 O SER A 71 -2.437 -7.544 28.771 1.00 0.00 O ATOM 1053 CB SER A 71 -5.423 -6.116 27.866 1.00 0.00 C ATOM 1054 OG SER A 71 -6.012 -5.097 27.062 1.00 0.00 O ATOM 0 H SER A 71 -4.882 -7.802 25.802 1.00 0.00 H new ATOM 0 HA SER A 71 -3.396 -5.735 27.317 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.104 -6.965 27.931 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.282 -5.742 28.880 1.00 0.00 H new ATOM 0 HG SER A 71 -6.869 -4.827 27.453 1.00 0.00 H new ATOM 1060 N SER A 72 -4.230 -8.809 28.221 1.00 0.00 N ATOM 1061 CA SER A 72 -3.803 -9.953 29.008 1.00 0.00 C ATOM 1062 C SER A 72 -4.173 -11.251 28.287 1.00 0.00 C ATOM 1063 O SER A 72 -4.917 -11.231 27.307 1.00 0.00 O ATOM 1064 CB SER A 72 -4.428 -9.925 30.404 1.00 0.00 C ATOM 1065 OG SER A 72 -5.835 -9.708 30.355 1.00 0.00 O ATOM 0 H SER A 72 -5.112 -8.937 27.725 1.00 0.00 H new ATOM 0 HA SER A 72 -2.720 -9.904 29.123 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.224 -10.868 30.911 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.960 -9.138 30.995 1.00 0.00 H new ATOM 0 HG SER A 72 -6.196 -9.699 31.266 1.00 0.00 H new ATOM 1071 N GLY A 73 -3.637 -12.349 28.800 1.00 0.00 N ATOM 1072 CA GLY A 73 -3.902 -13.653 28.217 1.00 0.00 C ATOM 1073 C GLY A 73 -3.064 -14.738 28.897 1.00 0.00 C ATOM 1074 O GLY A 73 -3.558 -15.831 29.167 1.00 0.00 O ATOM 0 H GLY A 73 -3.021 -12.362 29.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.961 -13.891 28.316 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.678 -13.631 27.150 1.00 0.00 H new TER 1078 GLY A 73