USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot -149:sc= 0.0115 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.164 K(o=-0.15,f=-0.69) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 75 HIS : no HD1:sc=-0.00574 X(o=-0.0057,f=0) USER MOD Single : A 1 GLU N :NH3+ -109:sc= 0.0531 (180deg=-0.00137) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.601 K(o=0.6,f=-0.013) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 13 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 14 MET CE :methyl -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 29:sc= -0.594 USER MOD Single : A 33 ASN : amide:sc= 1.36 K(o=1.4,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.092 K(o=-0.092,f=-0.61) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.1) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 132:sc= -0.156 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 2.42 (180deg=0.832) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 95:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.254 21.004 11.873 1.00 0.00 N ATOM 2 CA GLU A 1 16.511 19.544 11.999 1.00 0.00 C ATOM 3 C GLU A 1 16.138 18.831 10.689 1.00 0.00 C ATOM 4 O GLU A 1 15.295 19.316 9.930 1.00 0.00 O ATOM 5 CB GLU A 1 15.754 18.920 13.194 1.00 0.00 C ATOM 6 CG GLU A 1 16.265 19.407 14.558 1.00 0.00 C ATOM 7 CD GLU A 1 15.541 18.696 15.717 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.478 19.189 16.167 1.00 0.00 O ATOM 9 OE2 GLU A 1 16.041 17.649 16.199 1.00 0.00 O ATOM 0 H1 GLU A 1 17.160 21.513 11.829 1.00 0.00 H new ATOM 0 H2 GLU A 1 15.711 21.187 11.005 1.00 0.00 H new ATOM 0 H3 GLU A 1 15.711 21.333 12.697 1.00 0.00 H new ATOM 0 HA GLU A 1 17.575 19.410 12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.693 19.155 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.845 17.835 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.337 19.227 14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 1 16.117 20.484 14.640 1.00 0.00 H new ATOM 18 N ASP A 2 16.762 17.680 10.411 1.00 0.00 N ATOM 19 CA ASP A 2 16.444 16.857 9.240 1.00 0.00 C ATOM 20 C ASP A 2 15.069 16.199 9.416 1.00 0.00 C ATOM 21 O ASP A 2 14.707 15.803 10.532 1.00 0.00 O ATOM 22 CB ASP A 2 17.520 15.784 9.029 1.00 0.00 C ATOM 23 CG ASP A 2 17.171 14.877 7.835 1.00 0.00 C ATOM 24 OD1 ASP A 2 17.164 15.373 6.683 1.00 0.00 O ATOM 25 OD2 ASP A 2 16.901 13.670 8.048 1.00 0.00 O ATOM 0 H ASP A 2 17.504 17.293 10.994 1.00 0.00 H new ATOM 0 HA ASP A 2 16.419 17.500 8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.485 16.261 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.618 15.181 9.931 1.00 0.00 H new ATOM 30 N ARG A 3 14.303 16.076 8.327 1.00 0.00 N ATOM 31 CA ARG A 3 13.002 15.411 8.310 1.00 0.00 C ATOM 32 C ARG A 3 12.828 14.738 6.948 1.00 0.00 C ATOM 33 O ARG A 3 13.263 15.287 5.930 1.00 0.00 O ATOM 34 CB ARG A 3 11.889 16.443 8.588 1.00 0.00 C ATOM 35 CG ARG A 3 10.527 15.820 8.938 1.00 0.00 C ATOM 36 CD ARG A 3 10.503 15.191 10.337 1.00 0.00 C ATOM 37 NE ARG A 3 9.170 14.647 10.659 1.00 0.00 N ATOM 38 CZ ARG A 3 8.814 14.078 11.820 1.00 0.00 C ATOM 39 NH1 ARG A 3 9.695 13.951 12.811 1.00 0.00 N ATOM 40 NH2 ARG A 3 7.572 13.632 11.984 1.00 0.00 N ATOM 0 H ARG A 3 14.578 16.444 7.416 1.00 0.00 H new ATOM 0 HA ARG A 3 12.940 14.650 9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.203 17.088 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.771 17.079 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.755 16.587 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.280 15.059 8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.246 14.395 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.781 15.939 11.079 1.00 0.00 H new ATOM 0 HE ARG A 3 8.455 14.709 9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.650 14.288 12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.414 13.517 13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.893 13.723 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.298 13.199 12.866 1.00 0.00 H new ATOM 54 N SER A 4 12.190 13.567 6.929 1.00 0.00 N ATOM 55 CA SER A 4 11.900 12.830 5.703 1.00 0.00 C ATOM 56 C SER A 4 10.924 13.615 4.811 1.00 0.00 C ATOM 57 O SER A 4 10.136 14.432 5.304 1.00 0.00 O ATOM 58 CB SER A 4 11.332 11.448 6.062 1.00 0.00 C ATOM 59 OG SER A 4 12.143 10.798 7.040 1.00 0.00 O ATOM 0 H SER A 4 11.858 13.101 7.773 1.00 0.00 H new ATOM 0 HA SER A 4 12.823 12.697 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.316 11.556 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.273 10.831 5.165 1.00 0.00 H new ATOM 0 HG SER A 4 11.760 9.922 7.253 1.00 0.00 H new ATOM 65 N LYS A 5 10.955 13.346 3.502 1.00 0.00 N ATOM 66 CA LYS A 5 10.040 13.914 2.509 1.00 0.00 C ATOM 67 C LYS A 5 9.665 12.810 1.523 1.00 0.00 C ATOM 68 O LYS A 5 10.456 11.887 1.309 1.00 0.00 O ATOM 69 CB LYS A 5 10.721 15.103 1.809 1.00 0.00 C ATOM 70 CG LYS A 5 9.725 15.976 1.025 1.00 0.00 C ATOM 71 CD LYS A 5 10.335 17.304 0.550 1.00 0.00 C ATOM 72 CE LYS A 5 11.560 17.099 -0.358 1.00 0.00 C ATOM 73 NZ LYS A 5 11.956 18.358 -1.041 1.00 0.00 N ATOM 0 H LYS A 5 11.638 12.708 3.093 1.00 0.00 H new ATOM 0 HA LYS A 5 9.130 14.288 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.229 15.716 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.486 14.730 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.364 15.419 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.860 16.184 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.579 17.875 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.625 17.898 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.396 16.729 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.337 16.336 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.932 18.271 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.316 18.535 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.898 19.150 -0.370 1.00 0.00 H new ATOM 87 N THR A 6 8.481 12.913 0.916 1.00 0.00 N ATOM 88 CA THR A 6 7.952 11.896 0.016 1.00 0.00 C ATOM 89 C THR A 6 7.541 12.555 -1.306 1.00 0.00 C ATOM 90 O THR A 6 6.960 13.637 -1.325 1.00 0.00 O ATOM 91 CB THR A 6 6.874 11.066 0.747 1.00 0.00 C ATOM 92 OG1 THR A 6 7.330 10.641 2.022 1.00 0.00 O ATOM 93 CG2 THR A 6 6.493 9.797 -0.032 1.00 0.00 C ATOM 0 H THR A 6 7.860 13.713 1.039 1.00 0.00 H new ATOM 0 HA THR A 6 8.704 11.160 -0.269 1.00 0.00 H new ATOM 0 HB THR A 6 6.010 11.724 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.628 10.119 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.732 9.246 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.101 10.075 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.375 9.170 -0.159 1.00 0.00 H new ATOM 101 N THR A 7 7.845 11.887 -2.414 1.00 0.00 N ATOM 102 CA THR A 7 7.491 12.252 -3.785 1.00 0.00 C ATOM 103 C THR A 7 6.899 11.006 -4.465 1.00 0.00 C ATOM 104 O THR A 7 7.150 9.877 -4.030 1.00 0.00 O ATOM 105 CB THR A 7 8.738 12.790 -4.528 1.00 0.00 C ATOM 106 OG1 THR A 7 9.917 12.111 -4.109 1.00 0.00 O ATOM 107 CG2 THR A 7 8.936 14.298 -4.308 1.00 0.00 C ATOM 0 H THR A 7 8.380 11.019 -2.378 1.00 0.00 H new ATOM 0 HA THR A 7 6.749 13.050 -3.802 1.00 0.00 H new ATOM 0 HB THR A 7 8.563 12.609 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.690 12.468 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.822 14.631 -4.848 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.063 14.837 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.063 14.497 -3.244 1.00 0.00 H new ATOM 115 N ASN A 8 6.105 11.195 -5.521 1.00 0.00 N ATOM 116 CA ASN A 8 5.586 10.113 -6.364 1.00 0.00 C ATOM 117 C ASN A 8 6.064 10.407 -7.767 1.00 0.00 C ATOM 118 O ASN A 8 5.888 11.536 -8.227 1.00 0.00 O ATOM 119 CB ASN A 8 4.054 10.038 -6.312 1.00 0.00 C ATOM 120 CG ASN A 8 3.519 9.736 -4.919 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.863 10.570 -4.305 1.00 0.00 O ATOM 122 ND2 ASN A 8 3.789 8.558 -4.387 1.00 0.00 N ATOM 0 H ASN A 8 5.798 12.121 -5.821 1.00 0.00 H new ATOM 0 HA ASN A 8 5.945 9.145 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.638 10.984 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.710 9.267 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.450 8.331 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.336 7.875 -4.911 1.00 0.00 H new ATOM 129 N THR A 9 6.656 9.418 -8.435 1.00 0.00 N ATOM 130 CA THR A 9 7.253 9.604 -9.749 1.00 0.00 C ATOM 131 C THR A 9 6.625 8.625 -10.734 1.00 0.00 C ATOM 132 O THR A 9 6.374 7.462 -10.411 1.00 0.00 O ATOM 133 CB THR A 9 8.789 9.485 -9.681 1.00 0.00 C ATOM 134 OG1 THR A 9 9.301 10.438 -8.765 1.00 0.00 O ATOM 135 CG2 THR A 9 9.468 9.623 -11.055 1.00 0.00 C ATOM 0 H THR A 9 6.733 8.466 -8.077 1.00 0.00 H new ATOM 0 HA THR A 9 7.046 10.613 -10.107 1.00 0.00 H new ATOM 0 HB THR A 9 9.021 8.479 -9.332 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.277 10.359 -8.722 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.548 9.530 -10.938 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.106 8.839 -11.720 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.232 10.598 -11.481 1.00 0.00 H new ATOM 143 N TRP A 10 6.427 9.103 -11.959 1.00 0.00 N ATOM 144 CA TRP A 10 5.914 8.352 -13.085 1.00 0.00 C ATOM 145 C TRP A 10 6.713 8.748 -14.316 1.00 0.00 C ATOM 146 O TRP A 10 7.301 9.827 -14.356 1.00 0.00 O ATOM 147 CB TRP A 10 4.429 8.690 -13.267 1.00 0.00 C ATOM 148 CG TRP A 10 3.559 8.337 -12.107 1.00 0.00 C ATOM 149 CD1 TRP A 10 3.002 7.134 -11.892 1.00 0.00 C ATOM 150 CD2 TRP A 10 3.107 9.176 -11.007 1.00 0.00 C ATOM 151 NE1 TRP A 10 2.252 7.155 -10.733 1.00 0.00 N ATOM 152 CE2 TRP A 10 2.255 8.410 -10.158 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.307 10.525 -10.670 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.621 8.967 -9.037 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.651 11.104 -9.569 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.804 10.332 -8.755 1.00 0.00 C ATOM 0 H TRP A 10 6.632 10.073 -12.198 1.00 0.00 H new ATOM 0 HA TRP A 10 6.009 7.278 -12.923 1.00 0.00 H new ATOM 0 HB2 TRP A 10 4.335 9.758 -13.461 1.00 0.00 H new ATOM 0 HB3 TRP A 10 4.059 8.172 -14.152 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.123 6.274 -12.534 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.759 6.348 -10.351 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.976 11.128 -11.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.001 8.355 -8.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.799 12.151 -9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.296 10.786 -7.917 1.00 0.00 H new ATOM 167 N VAL A 11 6.718 7.897 -15.332 1.00 0.00 N ATOM 168 CA VAL A 11 7.241 8.219 -16.650 1.00 0.00 C ATOM 169 C VAL A 11 6.295 7.667 -17.718 1.00 0.00 C ATOM 170 O VAL A 11 5.673 6.620 -17.520 1.00 0.00 O ATOM 171 CB VAL A 11 8.708 7.759 -16.791 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.872 6.240 -16.639 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.349 8.239 -18.110 1.00 0.00 C ATOM 0 H VAL A 11 6.352 6.947 -15.261 1.00 0.00 H new ATOM 0 HA VAL A 11 7.275 9.299 -16.793 1.00 0.00 H new ATOM 0 HB VAL A 11 9.240 8.232 -15.965 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.924 5.975 -16.748 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.520 5.933 -15.654 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.289 5.732 -17.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.380 7.890 -18.162 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.788 7.838 -18.954 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.332 9.328 -18.147 1.00 0.00 H new ATOM 183 N LEU A 12 6.187 8.377 -18.843 1.00 0.00 N ATOM 184 CA LEU A 12 5.518 7.915 -20.053 1.00 0.00 C ATOM 185 C LEU A 12 6.440 8.174 -21.229 1.00 0.00 C ATOM 186 O LEU A 12 7.251 9.098 -21.181 1.00 0.00 O ATOM 187 CB LEU A 12 4.189 8.641 -20.302 1.00 0.00 C ATOM 188 CG LEU A 12 3.068 8.238 -19.332 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.990 9.211 -18.149 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.743 8.225 -20.096 1.00 0.00 C ATOM 0 H LEU A 12 6.575 9.316 -18.936 1.00 0.00 H new ATOM 0 HA LEU A 12 5.296 6.854 -19.934 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.354 9.716 -20.225 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.862 8.441 -21.322 1.00 0.00 H new ATOM 0 HG LEU A 12 3.277 7.246 -18.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.189 8.903 -17.477 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.937 9.205 -17.610 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.788 10.217 -18.518 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.936 7.940 -19.420 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.546 9.218 -20.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.802 7.507 -20.914 1.00 0.00 H new ATOM 202 N HIS A 13 6.252 7.412 -22.300 1.00 0.00 N ATOM 203 CA HIS A 13 6.878 7.634 -23.589 1.00 0.00 C ATOM 204 C HIS A 13 5.760 8.054 -24.542 1.00 0.00 C ATOM 205 O HIS A 13 4.820 7.282 -24.752 1.00 0.00 O ATOM 206 CB HIS A 13 7.627 6.367 -24.030 1.00 0.00 C ATOM 207 CG HIS A 13 8.336 6.479 -25.360 1.00 0.00 C ATOM 208 ND1 HIS A 13 8.923 7.604 -25.903 1.00 0.00 N ATOM 209 CD2 HIS A 13 8.568 5.450 -26.234 1.00 0.00 C ATOM 210 CE1 HIS A 13 9.495 7.255 -27.069 1.00 0.00 C ATOM 211 NE2 HIS A 13 9.305 5.947 -27.317 1.00 0.00 N ATOM 0 H HIS A 13 5.639 6.597 -22.290 1.00 0.00 H new ATOM 0 HA HIS A 13 7.633 8.419 -23.565 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.359 6.110 -23.265 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.917 5.542 -24.081 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.923 8.537 -25.492 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.239 4.429 -26.109 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.033 7.932 -27.717 1.00 0.00 H new ATOM 219 N MET A 14 5.818 9.282 -25.063 1.00 0.00 N ATOM 220 CA MET A 14 4.809 9.857 -25.946 1.00 0.00 C ATOM 221 C MET A 14 5.518 10.741 -26.968 1.00 0.00 C ATOM 222 O MET A 14 6.464 11.438 -26.613 1.00 0.00 O ATOM 223 CB MET A 14 3.771 10.686 -25.160 1.00 0.00 C ATOM 224 CG MET A 14 3.025 9.894 -24.076 1.00 0.00 C ATOM 225 SD MET A 14 1.636 10.750 -23.270 1.00 0.00 S ATOM 226 CE MET A 14 2.471 12.168 -22.502 1.00 0.00 C ATOM 0 H MET A 14 6.592 9.919 -24.875 1.00 0.00 H new ATOM 0 HA MET A 14 4.269 9.051 -26.442 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.276 11.532 -24.694 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.043 11.096 -25.861 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.648 8.974 -24.522 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.742 9.605 -23.308 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.748 12.749 -21.930 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.258 11.811 -21.837 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.909 12.796 -23.278 1.00 0.00 H new ATOM 236 N ASP A 15 5.054 10.729 -28.220 1.00 0.00 N ATOM 237 CA ASP A 15 5.512 11.611 -29.303 1.00 0.00 C ATOM 238 C ASP A 15 7.046 11.664 -29.447 1.00 0.00 C ATOM 239 O ASP A 15 7.644 12.713 -29.701 1.00 0.00 O ATOM 240 CB ASP A 15 4.843 12.989 -29.193 1.00 0.00 C ATOM 241 CG ASP A 15 5.073 13.855 -30.449 1.00 0.00 C ATOM 242 OD1 ASP A 15 4.951 13.337 -31.586 1.00 0.00 O ATOM 243 OD2 ASP A 15 5.300 15.081 -30.308 1.00 0.00 O ATOM 0 H ASP A 15 4.324 10.084 -28.521 1.00 0.00 H new ATOM 0 HA ASP A 15 5.185 11.174 -30.246 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.772 12.859 -29.036 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.233 13.511 -28.319 1.00 0.00 H new ATOM 248 N GLY A 16 7.701 10.511 -29.256 1.00 0.00 N ATOM 249 CA GLY A 16 9.147 10.360 -29.399 1.00 0.00 C ATOM 250 C GLY A 16 9.951 10.914 -28.215 1.00 0.00 C ATOM 251 O GLY A 16 11.183 10.914 -28.277 1.00 0.00 O ATOM 0 H GLY A 16 7.229 9.646 -28.994 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.381 9.303 -29.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.467 10.865 -30.310 1.00 0.00 H new ATOM 255 N GLU A 17 9.298 11.349 -27.133 1.00 0.00 N ATOM 256 CA GLU A 17 9.903 11.873 -25.919 1.00 0.00 C ATOM 257 C GLU A 17 9.543 10.997 -24.723 1.00 0.00 C ATOM 258 O GLU A 17 8.612 10.191 -24.779 1.00 0.00 O ATOM 259 CB GLU A 17 9.483 13.338 -25.687 1.00 0.00 C ATOM 260 CG GLU A 17 10.251 14.294 -26.606 1.00 0.00 C ATOM 261 CD GLU A 17 9.942 15.767 -26.283 1.00 0.00 C ATOM 262 OE1 GLU A 17 10.603 16.349 -25.387 1.00 0.00 O ATOM 263 OE2 GLU A 17 9.070 16.375 -26.951 1.00 0.00 O ATOM 0 H GLU A 17 8.279 11.342 -27.085 1.00 0.00 H new ATOM 0 HA GLU A 17 10.987 11.855 -26.036 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.413 13.443 -25.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.663 13.609 -24.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.321 14.116 -26.503 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.992 14.087 -27.644 1.00 0.00 H new ATOM 270 N ASN A 18 10.298 11.143 -23.633 1.00 0.00 N ATOM 271 CA ASN A 18 9.993 10.567 -22.334 1.00 0.00 C ATOM 272 C ASN A 18 9.642 11.731 -21.422 1.00 0.00 C ATOM 273 O ASN A 18 10.415 12.686 -21.303 1.00 0.00 O ATOM 274 CB ASN A 18 11.148 9.716 -21.785 1.00 0.00 C ATOM 275 CG ASN A 18 11.023 8.263 -22.232 1.00 0.00 C ATOM 276 OD1 ASN A 18 10.561 7.410 -21.479 1.00 0.00 O ATOM 277 ND2 ASN A 18 11.398 7.949 -23.463 1.00 0.00 N ATOM 0 H ASN A 18 11.164 11.683 -23.636 1.00 0.00 H new ATOM 0 HA ASN A 18 9.157 9.871 -22.407 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.099 10.124 -22.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.154 9.765 -20.696 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.304 6.989 -23.795 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.780 8.667 -24.078 1.00 0.00 H new ATOM 284 N PHE A 19 8.475 11.652 -20.788 1.00 0.00 N ATOM 285 CA PHE A 19 7.979 12.656 -19.864 1.00 0.00 C ATOM 286 C PHE A 19 7.984 12.053 -18.470 1.00 0.00 C ATOM 287 O PHE A 19 7.144 11.211 -18.154 1.00 0.00 O ATOM 288 CB PHE A 19 6.576 13.122 -20.281 1.00 0.00 C ATOM 289 CG PHE A 19 6.550 13.832 -21.621 1.00 0.00 C ATOM 290 CD1 PHE A 19 6.890 15.196 -21.703 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.215 13.121 -22.790 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.912 15.845 -22.951 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.229 13.775 -24.033 1.00 0.00 C ATOM 294 CZ PHE A 19 6.587 15.132 -24.118 1.00 0.00 C ATOM 0 H PHE A 19 7.836 10.867 -20.909 1.00 0.00 H new ATOM 0 HA PHE A 19 8.618 13.539 -19.875 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.912 12.259 -20.323 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.181 13.791 -19.516 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.134 15.745 -20.806 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.948 12.076 -22.731 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.178 16.890 -23.012 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.963 13.233 -24.928 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.612 15.626 -25.078 1.00 0.00 H new ATOM 304 N ARG A 20 8.955 12.449 -17.649 1.00 0.00 N ATOM 305 CA ARG A 20 8.965 12.152 -16.231 1.00 0.00 C ATOM 306 C ARG A 20 8.008 13.119 -15.573 1.00 0.00 C ATOM 307 O ARG A 20 7.951 14.293 -15.933 1.00 0.00 O ATOM 308 CB ARG A 20 10.368 12.247 -15.620 1.00 0.00 C ATOM 309 CG ARG A 20 11.167 10.977 -15.934 1.00 0.00 C ATOM 310 CD ARG A 20 11.888 10.474 -14.688 1.00 0.00 C ATOM 311 NE ARG A 20 12.695 9.272 -14.971 1.00 0.00 N ATOM 312 CZ ARG A 20 13.491 8.632 -14.102 1.00 0.00 C ATOM 313 NH1 ARG A 20 13.612 9.062 -12.847 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.167 7.556 -14.496 1.00 0.00 N ATOM 0 H ARG A 20 9.762 12.990 -17.960 1.00 0.00 H new ATOM 0 HA ARG A 20 8.652 11.121 -16.066 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.887 13.120 -16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.295 12.382 -14.541 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.497 10.204 -16.310 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.892 11.182 -16.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.533 11.262 -14.298 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.157 10.247 -13.912 1.00 0.00 H new ATOM 0 HE ARG A 20 12.643 8.892 -15.916 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.096 9.886 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.220 8.567 -12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.079 7.221 -15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.774 7.066 -13.839 1.00 0.00 H new ATOM 328 N ILE A 21 7.302 12.615 -14.580 1.00 0.00 N ATOM 329 CA ILE A 21 6.389 13.353 -13.736 1.00 0.00 C ATOM 330 C ILE A 21 6.862 13.075 -12.326 1.00 0.00 C ATOM 331 O ILE A 21 7.040 11.909 -11.989 1.00 0.00 O ATOM 332 CB ILE A 21 4.937 12.881 -13.955 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.466 13.152 -15.399 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.949 13.473 -12.929 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.307 14.627 -15.781 1.00 0.00 C ATOM 0 H ILE A 21 7.354 11.628 -14.329 1.00 0.00 H new ATOM 0 HA ILE A 21 6.386 14.421 -13.956 1.00 0.00 H new ATOM 0 HB ILE A 21 4.943 11.803 -13.795 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.177 12.693 -16.086 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.509 12.652 -15.549 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.945 13.103 -13.136 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.246 13.174 -11.924 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.957 14.561 -13.001 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.972 14.701 -16.816 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.571 15.095 -15.127 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.265 15.136 -15.672 1.00 0.00 H new ATOM 347 N VAL A 22 7.018 14.102 -11.501 1.00 0.00 N ATOM 348 CA VAL A 22 7.269 13.954 -10.086 1.00 0.00 C ATOM 349 C VAL A 22 6.294 14.881 -9.373 1.00 0.00 C ATOM 350 O VAL A 22 6.313 16.088 -9.602 1.00 0.00 O ATOM 351 CB VAL A 22 8.751 14.236 -9.753 1.00 0.00 C ATOM 352 CG1 VAL A 22 9.032 13.952 -8.270 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.712 13.394 -10.601 1.00 0.00 C ATOM 0 H VAL A 22 6.972 15.074 -11.808 1.00 0.00 H new ATOM 0 HA VAL A 22 7.103 12.931 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 22 8.923 15.288 -9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.081 14.156 -8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.402 14.591 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.813 12.907 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.740 13.630 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.523 12.336 -10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.557 13.617 -11.657 1.00 0.00 H new ATOM 363 N LEU A 23 5.437 14.328 -8.521 1.00 0.00 N ATOM 364 CA LEU A 23 4.595 15.099 -7.610 1.00 0.00 C ATOM 365 C LEU A 23 5.421 15.313 -6.339 1.00 0.00 C ATOM 366 O LEU A 23 5.881 14.337 -5.738 1.00 0.00 O ATOM 367 CB LEU A 23 3.315 14.304 -7.317 1.00 0.00 C ATOM 368 CG LEU A 23 2.192 15.028 -6.539 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.114 13.991 -6.203 1.00 0.00 C ATOM 370 CD2 LEU A 23 2.564 15.703 -5.223 1.00 0.00 C ATOM 0 H LEU A 23 5.305 13.320 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 23 4.296 16.059 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.903 13.966 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.593 13.412 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 23 1.885 15.835 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.306 14.472 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.721 13.563 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.548 13.200 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.679 16.169 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.958 14.959 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.322 16.465 -5.406 1.00 0.00 H new ATOM 382 N GLU A 24 5.599 16.565 -5.930 1.00 0.00 N ATOM 383 CA GLU A 24 6.197 16.975 -4.668 1.00 0.00 C ATOM 384 C GLU A 24 5.106 17.080 -3.610 1.00 0.00 C ATOM 385 O GLU A 24 4.280 17.991 -3.671 1.00 0.00 O ATOM 386 CB GLU A 24 6.929 18.313 -4.892 1.00 0.00 C ATOM 387 CG GLU A 24 8.418 18.172 -4.614 1.00 0.00 C ATOM 388 CD GLU A 24 8.774 18.092 -3.118 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.043 17.435 -2.341 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.810 18.687 -2.731 1.00 0.00 O ATOM 0 H GLU A 24 5.315 17.361 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 24 6.924 16.244 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.777 18.648 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.505 19.077 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.786 17.275 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.941 19.020 -5.056 1.00 0.00 H new ATOM 397 N LYS A 25 5.072 16.152 -2.647 1.00 0.00 N ATOM 398 CA LYS A 25 3.932 16.057 -1.728 1.00 0.00 C ATOM 399 C LYS A 25 3.895 17.233 -0.751 1.00 0.00 C ATOM 400 O LYS A 25 2.818 17.593 -0.277 1.00 0.00 O ATOM 401 CB LYS A 25 3.942 14.734 -0.964 1.00 0.00 C ATOM 402 CG LYS A 25 3.713 13.555 -1.927 1.00 0.00 C ATOM 403 CD LYS A 25 3.823 12.209 -1.211 1.00 0.00 C ATOM 404 CE LYS A 25 2.658 11.998 -0.221 1.00 0.00 C ATOM 405 NZ LYS A 25 2.661 10.653 0.427 1.00 0.00 N ATOM 0 H LYS A 25 5.809 15.466 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 25 3.029 16.095 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.895 14.611 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.166 14.743 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.727 13.645 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.444 13.598 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.828 11.404 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.771 12.157 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.706 12.765 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.714 12.136 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.853 10.580 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.586 9.916 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.546 10.525 0.958 1.00 0.00 H new ATOM 419 N ASP A 26 5.051 17.830 -0.457 1.00 0.00 N ATOM 420 CA ASP A 26 5.144 18.928 0.506 1.00 0.00 C ATOM 421 C ASP A 26 4.383 20.162 0.014 1.00 0.00 C ATOM 422 O ASP A 26 3.688 20.815 0.796 1.00 0.00 O ATOM 423 CB ASP A 26 6.611 19.291 0.755 1.00 0.00 C ATOM 424 CG ASP A 26 6.720 20.476 1.731 1.00 0.00 C ATOM 425 OD1 ASP A 26 6.488 20.279 2.949 1.00 0.00 O ATOM 426 OD2 ASP A 26 7.051 21.603 1.289 1.00 0.00 O ATOM 0 H ASP A 26 5.943 17.568 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 26 4.690 18.594 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.140 18.429 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.093 19.545 -0.189 1.00 0.00 H new ATOM 431 N ALA A 27 4.479 20.450 -1.291 1.00 0.00 N ATOM 432 CA ALA A 27 3.856 21.591 -1.940 1.00 0.00 C ATOM 433 C ALA A 27 2.606 21.218 -2.752 1.00 0.00 C ATOM 434 O ALA A 27 1.869 22.111 -3.176 1.00 0.00 O ATOM 435 CB ALA A 27 4.901 22.283 -2.825 1.00 0.00 C ATOM 0 H ALA A 27 5.013 19.870 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 27 3.507 22.271 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.448 23.142 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.736 22.617 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.263 21.582 -3.577 1.00 0.00 H new ATOM 441 N MET A 28 2.362 19.918 -2.971 1.00 0.00 N ATOM 442 CA MET A 28 1.367 19.392 -3.898 1.00 0.00 C ATOM 443 C MET A 28 1.560 20.022 -5.291 1.00 0.00 C ATOM 444 O MET A 28 0.609 20.435 -5.960 1.00 0.00 O ATOM 445 CB MET A 28 -0.055 19.437 -3.302 1.00 0.00 C ATOM 446 CG MET A 28 -0.716 18.065 -3.371 1.00 0.00 C ATOM 447 SD MET A 28 -0.979 17.433 -5.051 1.00 0.00 S ATOM 448 CE MET A 28 -2.157 16.139 -4.615 1.00 0.00 C ATOM 0 H MET A 28 2.875 19.182 -2.486 1.00 0.00 H new ATOM 0 HA MET A 28 1.520 18.324 -4.056 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.009 19.772 -2.266 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.659 20.164 -3.845 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.101 17.352 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.678 18.114 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.463 15.607 -5.516 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.689 15.440 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 28 -3.032 16.587 -4.143 1.00 0.00 H new ATOM 458 N ASP A 29 2.830 20.130 -5.707 1.00 0.00 N ATOM 459 CA ASP A 29 3.242 20.640 -7.014 1.00 0.00 C ATOM 460 C ASP A 29 3.681 19.456 -7.873 1.00 0.00 C ATOM 461 O ASP A 29 3.976 18.384 -7.340 1.00 0.00 O ATOM 462 CB ASP A 29 4.358 21.691 -6.881 1.00 0.00 C ATOM 463 CG ASP A 29 4.438 22.663 -8.074 1.00 0.00 C ATOM 464 OD1 ASP A 29 3.881 22.390 -9.162 1.00 0.00 O ATOM 465 OD2 ASP A 29 5.060 23.739 -7.898 1.00 0.00 O ATOM 0 H ASP A 29 3.619 19.855 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 29 2.404 21.146 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.199 22.263 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.315 21.180 -6.775 1.00 0.00 H new ATOM 470 N VAL A 30 3.726 19.615 -9.191 1.00 0.00 N ATOM 471 CA VAL A 30 4.062 18.551 -10.121 1.00 0.00 C ATOM 472 C VAL A 30 5.076 19.099 -11.121 1.00 0.00 C ATOM 473 O VAL A 30 4.802 20.037 -11.877 1.00 0.00 O ATOM 474 CB VAL A 30 2.788 18.000 -10.789 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.129 16.925 -11.831 1.00 0.00 C ATOM 476 CG2 VAL A 30 1.787 17.392 -9.795 1.00 0.00 C ATOM 0 H VAL A 30 3.526 20.505 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 30 4.516 17.705 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 30 2.322 18.865 -11.260 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.210 16.555 -12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.768 17.355 -12.602 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.652 16.101 -11.346 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.915 17.024 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.259 16.566 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.476 18.154 -9.080 1.00 0.00 H new ATOM 486 N TRP A 31 6.254 18.477 -11.128 1.00 0.00 N ATOM 487 CA TRP A 31 7.328 18.714 -12.059 1.00 0.00 C ATOM 488 C TRP A 31 7.166 17.778 -13.258 1.00 0.00 C ATOM 489 O TRP A 31 7.164 16.561 -13.069 1.00 0.00 O ATOM 490 CB TRP A 31 8.673 18.435 -11.356 1.00 0.00 C ATOM 491 CG TRP A 31 8.821 18.874 -9.926 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.713 18.083 -8.835 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.168 20.188 -9.403 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.002 18.802 -7.698 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.300 20.112 -7.986 1.00 0.00 C ATOM 496 CE3 TRP A 31 9.396 21.437 -9.997 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.662 21.216 -7.201 1.00 0.00 C ATOM 498 CZ3 TRP A 31 9.790 22.550 -9.227 1.00 0.00 C ATOM 499 CH2 TRP A 31 9.922 22.444 -7.832 1.00 0.00 C ATOM 0 H TRP A 31 6.485 17.758 -10.443 1.00 0.00 H new ATOM 0 HA TRP A 31 7.306 19.748 -12.402 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.856 17.361 -11.397 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.460 18.915 -11.937 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.440 17.038 -8.853 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.996 18.410 -6.756 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.268 21.549 -11.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.740 21.124 -6.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.992 23.493 -9.714 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.222 23.302 -7.248 1.00 0.00 H new ATOM 510 N CYS A 32 7.046 18.306 -14.475 1.00 0.00 N ATOM 511 CA CYS A 32 7.126 17.542 -15.708 1.00 0.00 C ATOM 512 C CYS A 32 8.516 17.803 -16.295 1.00 0.00 C ATOM 513 O CYS A 32 8.838 18.950 -16.602 1.00 0.00 O ATOM 514 CB CYS A 32 5.978 17.942 -16.644 1.00 0.00 C ATOM 515 SG CYS A 32 5.931 19.738 -16.950 1.00 0.00 S ATOM 0 H CYS A 32 6.887 19.302 -14.629 1.00 0.00 H new ATOM 0 HA CYS A 32 7.009 16.470 -15.546 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.086 17.416 -17.593 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.030 17.625 -16.209 1.00 0.00 H new ATOM 0 HG CYS A 32 7.132 20.226 -16.854 1.00 0.00 H new ATOM 521 N ASN A 33 9.365 16.775 -16.400 1.00 0.00 N ATOM 522 CA ASN A 33 10.776 16.900 -16.815 1.00 0.00 C ATOM 523 C ASN A 33 11.488 18.061 -16.085 1.00 0.00 C ATOM 524 O ASN A 33 12.263 18.814 -16.678 1.00 0.00 O ATOM 525 CB ASN A 33 10.910 16.942 -18.361 1.00 0.00 C ATOM 526 CG ASN A 33 10.759 15.580 -19.037 1.00 0.00 C ATOM 527 OD1 ASN A 33 10.652 14.554 -18.378 1.00 0.00 O ATOM 528 ND2 ASN A 33 10.746 15.516 -20.357 1.00 0.00 N ATOM 0 H ASN A 33 9.091 15.814 -16.197 1.00 0.00 H new ATOM 0 HA ASN A 33 11.306 16.001 -16.501 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.157 17.620 -18.762 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.884 17.358 -18.620 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.647 14.614 -20.823 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.835 16.369 -20.910 1.00 0.00 H new ATOM 535 N GLY A 34 11.196 18.228 -14.787 1.00 0.00 N ATOM 536 CA GLY A 34 11.810 19.237 -13.923 1.00 0.00 C ATOM 537 C GLY A 34 11.180 20.635 -13.995 1.00 0.00 C ATOM 538 O GLY A 34 11.529 21.477 -13.165 1.00 0.00 O ATOM 0 H GLY A 34 10.510 17.650 -14.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.760 18.887 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.866 19.319 -14.181 1.00 0.00 H new ATOM 542 N LYS A 35 10.247 20.905 -14.918 1.00 0.00 N ATOM 543 CA LYS A 35 9.541 22.190 -15.013 1.00 0.00 C ATOM 544 C LYS A 35 8.208 22.074 -14.285 1.00 0.00 C ATOM 545 O LYS A 35 7.561 21.033 -14.388 1.00 0.00 O ATOM 546 CB LYS A 35 9.335 22.579 -16.486 1.00 0.00 C ATOM 547 CG LYS A 35 10.666 22.815 -17.219 1.00 0.00 C ATOM 548 CD LYS A 35 10.429 23.210 -18.685 1.00 0.00 C ATOM 549 CE LYS A 35 11.773 23.433 -19.394 1.00 0.00 C ATOM 550 NZ LYS A 35 11.606 23.828 -20.817 1.00 0.00 N ATOM 0 H LYS A 35 9.958 20.231 -15.627 1.00 0.00 H new ATOM 0 HA LYS A 35 10.136 22.975 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.778 21.791 -16.993 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.728 23.483 -16.539 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.228 23.600 -16.714 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.273 21.911 -17.177 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.865 22.428 -19.194 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.828 24.118 -18.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.333 24.206 -18.869 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.364 22.519 -19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.541 23.967 -21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.095 23.080 -21.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.065 24.715 -20.870 1.00 0.00 H new ATOM 564 N LYS A 36 7.758 23.100 -13.558 1.00 0.00 N ATOM 565 CA LYS A 36 6.429 23.068 -12.948 1.00 0.00 C ATOM 566 C LYS A 36 5.385 23.162 -14.059 1.00 0.00 C ATOM 567 O LYS A 36 5.579 23.929 -15.008 1.00 0.00 O ATOM 568 CB LYS A 36 6.240 24.229 -11.958 1.00 0.00 C ATOM 569 CG LYS A 36 7.261 24.218 -10.807 1.00 0.00 C ATOM 570 CD LYS A 36 7.695 25.630 -10.398 1.00 0.00 C ATOM 571 CE LYS A 36 6.556 26.541 -9.901 1.00 0.00 C ATOM 572 NZ LYS A 36 6.099 26.205 -8.528 1.00 0.00 N ATOM 0 H LYS A 36 8.288 23.953 -13.380 1.00 0.00 H new ATOM 0 HA LYS A 36 6.316 22.137 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.320 25.173 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.233 24.183 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.828 23.710 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.138 23.644 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.446 25.550 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.177 26.108 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.892 27.578 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.712 26.465 -10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.498 26.972 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.554 25.320 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.924 26.088 -7.906 1.00 0.00 H new ATOM 586 N LEU A 37 4.273 22.434 -13.927 1.00 0.00 N ATOM 587 CA LEU A 37 3.096 22.585 -14.779 1.00 0.00 C ATOM 588 C LEU A 37 1.911 23.092 -13.960 1.00 0.00 C ATOM 589 O LEU A 37 1.946 23.125 -12.727 1.00 0.00 O ATOM 590 CB LEU A 37 2.794 21.348 -15.637 1.00 0.00 C ATOM 591 CG LEU A 37 2.723 20.002 -14.913 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.590 19.889 -13.896 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.532 18.882 -15.941 1.00 0.00 C ATOM 0 H LEU A 37 4.166 21.713 -13.214 1.00 0.00 H new ATOM 0 HA LEU A 37 3.317 23.350 -15.523 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.843 21.511 -16.144 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.559 21.277 -16.410 1.00 0.00 H new ATOM 0 HG LEU A 37 3.662 19.916 -14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.615 18.903 -13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.711 20.655 -13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.634 20.028 -14.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.481 17.922 -15.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.607 19.048 -16.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.372 18.878 -16.635 1.00 0.00 H new ATOM 605 N GLU A 38 0.879 23.537 -14.670 1.00 0.00 N ATOM 606 CA GLU A 38 -0.363 24.028 -14.098 1.00 0.00 C ATOM 607 C GLU A 38 -1.201 22.856 -13.584 1.00 0.00 C ATOM 608 O GLU A 38 -1.196 21.785 -14.187 1.00 0.00 O ATOM 609 CB GLU A 38 -1.130 24.863 -15.135 1.00 0.00 C ATOM 610 CG GLU A 38 -1.565 24.060 -16.373 1.00 0.00 C ATOM 611 CD GLU A 38 -2.165 24.978 -17.451 1.00 0.00 C ATOM 612 OE1 GLU A 38 -3.384 25.277 -17.397 1.00 0.00 O ATOM 613 OE2 GLU A 38 -1.424 25.405 -18.371 1.00 0.00 O ATOM 0 H GLU A 38 0.888 23.565 -15.690 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.141 24.677 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.013 25.292 -14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.503 25.696 -15.454 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.708 23.526 -16.783 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.299 23.308 -16.082 1.00 0.00 H new ATOM 620 N THR A 39 -1.953 23.065 -12.506 1.00 0.00 N ATOM 621 CA THR A 39 -2.765 22.029 -11.870 1.00 0.00 C ATOM 622 C THR A 39 -4.080 22.627 -11.367 1.00 0.00 C ATOM 623 O THR A 39 -4.135 23.800 -10.983 1.00 0.00 O ATOM 624 CB THR A 39 -1.989 21.342 -10.724 1.00 0.00 C ATOM 625 OG1 THR A 39 -1.132 22.230 -10.013 1.00 0.00 O ATOM 626 CG2 THR A 39 -1.127 20.189 -11.253 1.00 0.00 C ATOM 0 H THR A 39 -2.017 23.971 -12.043 1.00 0.00 H new ATOM 0 HA THR A 39 -2.996 21.264 -12.612 1.00 0.00 H new ATOM 0 HB THR A 39 -2.756 20.975 -10.043 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.671 21.739 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.593 19.724 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.766 19.448 -11.734 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.409 20.574 -11.977 1.00 0.00 H new ATOM 634 N ALA A 40 -5.127 21.801 -11.341 1.00 0.00 N ATOM 635 CA ALA A 40 -6.404 22.083 -10.702 1.00 0.00 C ATOM 636 C ALA A 40 -6.747 20.834 -9.903 1.00 0.00 C ATOM 637 O ALA A 40 -6.585 19.728 -10.420 1.00 0.00 O ATOM 638 CB ALA A 40 -7.484 22.405 -11.737 1.00 0.00 C ATOM 0 H ALA A 40 -5.103 20.882 -11.783 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.345 22.960 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.426 22.611 -11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.185 23.279 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.612 21.554 -12.406 1.00 0.00 H new ATOM 644 N GLY A 41 -7.178 21.000 -8.656 1.00 0.00 N ATOM 645 CA GLY A 41 -7.428 19.907 -7.729 1.00 0.00 C ATOM 646 C GLY A 41 -8.929 19.715 -7.657 1.00 0.00 C ATOM 647 O GLY A 41 -9.593 20.378 -6.857 1.00 0.00 O ATOM 0 H GLY A 41 -7.366 21.919 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.939 18.994 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.022 20.137 -6.744 1.00 0.00 H new ATOM 651 N GLU A 42 -9.470 18.860 -8.521 1.00 0.00 N ATOM 652 CA GLU A 42 -10.883 18.549 -8.515 1.00 0.00 C ATOM 653 C GLU A 42 -11.147 17.581 -7.365 1.00 0.00 C ATOM 654 O GLU A 42 -10.339 16.687 -7.109 1.00 0.00 O ATOM 655 CB GLU A 42 -11.278 17.950 -9.867 1.00 0.00 C ATOM 656 CG GLU A 42 -12.768 17.673 -10.034 1.00 0.00 C ATOM 657 CD GLU A 42 -13.639 18.933 -9.842 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.925 19.309 -8.678 1.00 0.00 O ATOM 659 OE2 GLU A 42 -14.038 19.558 -10.854 1.00 0.00 O ATOM 0 H GLU A 42 -8.938 18.369 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.486 19.445 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.959 18.630 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.732 17.018 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.947 17.262 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.074 16.913 -9.315 1.00 0.00 H new ATOM 666 N PHE A 43 -12.279 17.736 -6.688 1.00 0.00 N ATOM 667 CA PHE A 43 -12.680 16.853 -5.603 1.00 0.00 C ATOM 668 C PHE A 43 -13.843 15.997 -6.082 1.00 0.00 C ATOM 669 O PHE A 43 -14.778 16.501 -6.714 1.00 0.00 O ATOM 670 CB PHE A 43 -13.046 17.648 -4.348 1.00 0.00 C ATOM 671 CG PHE A 43 -13.220 16.765 -3.127 1.00 0.00 C ATOM 672 CD1 PHE A 43 -12.084 16.233 -2.480 1.00 0.00 C ATOM 673 CD2 PHE A 43 -14.506 16.440 -2.657 1.00 0.00 C ATOM 674 CE1 PHE A 43 -12.239 15.380 -1.372 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.659 15.589 -1.547 1.00 0.00 C ATOM 676 CZ PHE A 43 -13.526 15.059 -0.903 1.00 0.00 C ATOM 0 H PHE A 43 -12.947 18.483 -6.879 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.846 16.207 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.268 18.386 -4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.969 18.199 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.095 16.481 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -15.378 16.845 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.369 14.971 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.648 15.342 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.644 14.407 -0.050 1.00 0.00 H new ATOM 686 N VAL A 44 -13.788 14.704 -5.779 1.00 0.00 N ATOM 687 CA VAL A 44 -14.750 13.717 -6.204 1.00 0.00 C ATOM 688 C VAL A 44 -15.159 12.839 -5.025 1.00 0.00 C ATOM 689 O VAL A 44 -14.501 12.813 -3.983 1.00 0.00 O ATOM 690 CB VAL A 44 -14.162 12.892 -7.369 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.362 13.624 -8.696 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.691 12.491 -7.186 1.00 0.00 C ATOM 0 H VAL A 44 -13.040 14.309 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.653 14.209 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.718 11.955 -7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.942 13.029 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.427 13.775 -8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.860 14.591 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.361 11.915 -8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.078 13.388 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.588 11.885 -6.286 1.00 0.00 H new ATOM 702 N ASP A 45 -16.235 12.074 -5.222 1.00 0.00 N ATOM 703 CA ASP A 45 -16.781 11.119 -4.250 1.00 0.00 C ATOM 704 C ASP A 45 -15.939 9.831 -4.233 1.00 0.00 C ATOM 705 O ASP A 45 -16.422 8.711 -4.408 1.00 0.00 O ATOM 706 CB ASP A 45 -18.274 10.873 -4.515 1.00 0.00 C ATOM 707 CG ASP A 45 -18.908 9.962 -3.443 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.620 10.144 -2.234 1.00 0.00 O ATOM 709 OD2 ASP A 45 -19.744 9.093 -3.799 1.00 0.00 O ATOM 0 H ASP A 45 -16.769 12.102 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.717 11.541 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.800 11.827 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.398 10.417 -5.497 1.00 0.00 H new ATOM 714 N ASP A 46 -14.626 10.029 -4.127 1.00 0.00 N ATOM 715 CA ASP A 46 -13.563 9.045 -4.293 1.00 0.00 C ATOM 716 C ASP A 46 -12.255 9.549 -3.667 1.00 0.00 C ATOM 717 O ASP A 46 -11.483 8.756 -3.125 1.00 0.00 O ATOM 718 CB ASP A 46 -13.354 8.828 -5.796 1.00 0.00 C ATOM 719 CG ASP A 46 -12.087 8.024 -6.108 1.00 0.00 C ATOM 720 OD1 ASP A 46 -12.140 6.773 -6.077 1.00 0.00 O ATOM 721 OD2 ASP A 46 -11.079 8.649 -6.515 1.00 0.00 O ATOM 0 H ASP A 46 -14.252 10.952 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.843 8.115 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.219 8.308 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.297 9.796 -6.294 1.00 0.00 H new ATOM 726 N GLY A 47 -12.004 10.862 -3.701 1.00 0.00 N ATOM 727 CA GLY A 47 -10.744 11.462 -3.308 1.00 0.00 C ATOM 728 C GLY A 47 -10.554 12.733 -4.125 1.00 0.00 C ATOM 729 O GLY A 47 -11.502 13.505 -4.301 1.00 0.00 O ATOM 0 H GLY A 47 -12.694 11.546 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.747 11.691 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.921 10.769 -3.483 1.00 0.00 H new ATOM 733 N THR A 48 -9.359 12.927 -4.670 1.00 0.00 N ATOM 734 CA THR A 48 -9.001 14.123 -5.416 1.00 0.00 C ATOM 735 C THR A 48 -8.484 13.676 -6.779 1.00 0.00 C ATOM 736 O THR A 48 -7.911 12.591 -6.906 1.00 0.00 O ATOM 737 CB THR A 48 -7.972 14.976 -4.640 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.175 14.891 -3.233 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.023 16.459 -5.021 1.00 0.00 C ATOM 0 H THR A 48 -8.602 12.247 -4.604 1.00 0.00 H new ATOM 0 HA THR A 48 -9.869 14.768 -5.555 1.00 0.00 H new ATOM 0 HB THR A 48 -7.000 14.565 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.507 15.440 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.279 17.009 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.812 16.569 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.015 16.856 -4.805 1.00 0.00 H new ATOM 747 N GLU A 49 -8.665 14.502 -7.800 1.00 0.00 N ATOM 748 CA GLU A 49 -8.118 14.308 -9.128 1.00 0.00 C ATOM 749 C GLU A 49 -7.430 15.619 -9.512 1.00 0.00 C ATOM 750 O GLU A 49 -8.081 16.636 -9.754 1.00 0.00 O ATOM 751 CB GLU A 49 -9.199 13.823 -10.115 1.00 0.00 C ATOM 752 CG GLU A 49 -9.589 12.363 -9.798 1.00 0.00 C ATOM 753 CD GLU A 49 -10.665 11.728 -10.704 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.366 12.432 -11.471 1.00 0.00 O ATOM 755 OE2 GLU A 49 -10.843 10.488 -10.598 1.00 0.00 O ATOM 0 H GLU A 49 -9.218 15.356 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.376 13.510 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.077 14.465 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.828 13.895 -11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.690 11.749 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.941 12.320 -8.767 1.00 0.00 H new ATOM 762 N THR A 50 -6.098 15.619 -9.496 1.00 0.00 N ATOM 763 CA THR A 50 -5.288 16.778 -9.841 1.00 0.00 C ATOM 764 C THR A 50 -5.085 16.744 -11.352 1.00 0.00 C ATOM 765 O THR A 50 -4.270 15.955 -11.823 1.00 0.00 O ATOM 766 CB THR A 50 -3.979 16.751 -9.032 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.272 16.919 -7.654 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.983 17.835 -9.459 1.00 0.00 C ATOM 0 H THR A 50 -5.547 14.800 -9.239 1.00 0.00 H new ATOM 0 HA THR A 50 -5.770 17.721 -9.584 1.00 0.00 H new ATOM 0 HB THR A 50 -3.512 15.785 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.439 16.900 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.082 17.761 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.724 17.698 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.434 18.818 -9.322 1.00 0.00 H new ATOM 776 N HIS A 51 -5.846 17.541 -12.101 1.00 0.00 N ATOM 777 CA HIS A 51 -5.880 17.523 -13.560 1.00 0.00 C ATOM 778 C HIS A 51 -4.784 18.423 -14.141 1.00 0.00 C ATOM 779 O HIS A 51 -4.499 19.483 -13.575 1.00 0.00 O ATOM 780 CB HIS A 51 -7.264 17.973 -14.059 1.00 0.00 C ATOM 781 CG HIS A 51 -8.378 16.983 -13.802 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.729 15.930 -14.619 1.00 0.00 N ATOM 783 CD2 HIS A 51 -9.262 16.985 -12.753 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.777 15.298 -14.059 1.00 0.00 C ATOM 785 NE2 HIS A 51 -10.149 15.915 -12.923 1.00 0.00 N ATOM 0 H HIS A 51 -6.473 18.236 -11.696 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.696 16.503 -13.899 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.518 18.919 -13.580 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.205 18.164 -15.131 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.272 17.691 -11.936 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.253 14.418 -14.465 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.921 15.656 -12.309 1.00 0.00 H new ATOM 793 N PHE A 52 -4.201 18.014 -15.273 1.00 0.00 N ATOM 794 CA PHE A 52 -3.292 18.796 -16.113 1.00 0.00 C ATOM 795 C PHE A 52 -3.281 18.193 -17.532 1.00 0.00 C ATOM 796 O PHE A 52 -4.016 17.245 -17.807 1.00 0.00 O ATOM 797 CB PHE A 52 -1.893 18.860 -15.472 1.00 0.00 C ATOM 798 CG PHE A 52 -1.244 17.550 -15.072 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.451 17.049 -13.773 1.00 0.00 C ATOM 800 CD2 PHE A 52 -0.373 16.876 -15.949 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.793 15.888 -13.347 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.286 15.709 -15.515 1.00 0.00 C ATOM 803 CZ PHE A 52 0.085 15.220 -14.213 1.00 0.00 C ATOM 0 H PHE A 52 -4.360 17.078 -15.646 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.636 19.827 -16.194 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.226 19.366 -16.170 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.959 19.487 -14.583 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.122 17.563 -13.100 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.211 17.251 -16.949 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.962 15.507 -12.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.950 15.187 -16.188 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.604 14.333 -13.881 1.00 0.00 H new ATOM 813 N SER A 53 -2.464 18.725 -18.445 1.00 0.00 N ATOM 814 CA SER A 53 -2.397 18.297 -19.843 1.00 0.00 C ATOM 815 C SER A 53 -0.951 18.390 -20.342 1.00 0.00 C ATOM 816 O SER A 53 -0.204 19.268 -19.902 1.00 0.00 O ATOM 817 CB SER A 53 -3.323 19.157 -20.721 1.00 0.00 C ATOM 818 OG SER A 53 -4.664 19.147 -20.243 1.00 0.00 O ATOM 0 H SER A 53 -1.817 19.482 -18.227 1.00 0.00 H new ATOM 0 HA SER A 53 -2.733 17.262 -19.910 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.953 20.182 -20.744 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.300 18.786 -21.746 1.00 0.00 H new ATOM 0 HG SER A 53 -5.223 19.705 -20.824 1.00 0.00 H new ATOM 824 N ILE A 54 -0.555 17.482 -21.238 1.00 0.00 N ATOM 825 CA ILE A 54 0.791 17.357 -21.795 1.00 0.00 C ATOM 826 C ILE A 54 0.600 16.986 -23.265 1.00 0.00 C ATOM 827 O ILE A 54 -0.173 16.077 -23.564 1.00 0.00 O ATOM 828 CB ILE A 54 1.604 16.280 -21.026 1.00 0.00 C ATOM 829 CG1 ILE A 54 1.771 16.674 -19.541 1.00 0.00 C ATOM 830 CG2 ILE A 54 2.990 16.052 -21.669 1.00 0.00 C ATOM 831 CD1 ILE A 54 2.390 15.596 -18.655 1.00 0.00 C ATOM 0 H ILE A 54 -1.196 16.782 -21.611 1.00 0.00 H new ATOM 0 HA ILE A 54 1.359 18.283 -21.702 1.00 0.00 H new ATOM 0 HB ILE A 54 1.043 15.347 -21.084 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.390 17.569 -19.485 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.793 16.937 -19.138 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.532 15.292 -21.106 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.863 15.718 -22.699 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.555 16.984 -21.657 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.466 15.965 -17.632 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.762 14.705 -18.673 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.384 15.347 -19.026 1.00 0.00 H new ATOM 843 N GLY A 55 1.300 17.657 -24.187 1.00 0.00 N ATOM 844 CA GLY A 55 1.147 17.392 -25.613 1.00 0.00 C ATOM 845 C GLY A 55 -0.309 17.626 -26.023 1.00 0.00 C ATOM 846 O GLY A 55 -0.868 18.690 -25.742 1.00 0.00 O ATOM 0 H GLY A 55 1.977 18.387 -23.966 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.807 18.043 -26.187 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.438 16.366 -25.836 1.00 0.00 H new ATOM 850 N ASN A 56 -0.928 16.622 -26.650 1.00 0.00 N ATOM 851 CA ASN A 56 -2.348 16.609 -27.005 1.00 0.00 C ATOM 852 C ASN A 56 -3.118 15.601 -26.133 1.00 0.00 C ATOM 853 O ASN A 56 -4.047 14.941 -26.605 1.00 0.00 O ATOM 854 CB ASN A 56 -2.511 16.359 -28.514 1.00 0.00 C ATOM 855 CG ASN A 56 -3.938 16.614 -29.011 1.00 0.00 C ATOM 856 OD1 ASN A 56 -4.693 17.401 -28.441 1.00 0.00 O ATOM 857 ND2 ASN A 56 -4.329 15.993 -30.117 1.00 0.00 N ATOM 0 H ASN A 56 -0.440 15.772 -26.932 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.787 17.585 -26.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.821 17.002 -29.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.232 15.329 -28.739 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.259 16.167 -30.498 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.700 15.342 -30.586 1.00 0.00 H new ATOM 864 N HIS A 57 -2.698 15.428 -24.874 1.00 0.00 N ATOM 865 CA HIS A 57 -3.224 14.437 -23.941 1.00 0.00 C ATOM 866 C HIS A 57 -3.574 15.135 -22.625 1.00 0.00 C ATOM 867 O HIS A 57 -2.867 16.053 -22.200 1.00 0.00 O ATOM 868 CB HIS A 57 -2.183 13.328 -23.695 1.00 0.00 C ATOM 869 CG HIS A 57 -1.433 12.886 -24.932 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.932 12.154 -25.987 1.00 0.00 N ATOM 871 CD2 HIS A 57 -0.137 13.211 -25.244 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.960 12.044 -26.909 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.157 12.679 -26.508 1.00 0.00 N ATOM 0 H HIS A 57 -1.956 15.997 -24.467 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.118 13.977 -24.362 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.464 13.680 -22.956 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.687 12.464 -23.263 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.540 13.779 -24.623 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.062 11.517 -27.846 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.037 12.757 -27.018 1.00 0.00 H new ATOM 881 N ASP A 58 -4.638 14.689 -21.955 1.00 0.00 N ATOM 882 CA ASP A 58 -4.950 15.116 -20.592 1.00 0.00 C ATOM 883 C ASP A 58 -4.471 14.050 -19.612 1.00 0.00 C ATOM 884 O ASP A 58 -4.402 12.859 -19.945 1.00 0.00 O ATOM 885 CB ASP A 58 -6.426 15.461 -20.382 1.00 0.00 C ATOM 886 CG ASP A 58 -7.269 14.238 -19.975 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.700 13.476 -20.874 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.522 14.056 -18.762 1.00 0.00 O ATOM 0 H ASP A 58 -5.306 14.023 -22.342 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.417 16.049 -20.406 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.510 16.228 -19.612 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.830 15.886 -21.301 1.00 0.00 H new ATOM 893 N CYS A 59 -4.124 14.491 -18.411 1.00 0.00 N ATOM 894 CA CYS A 59 -3.580 13.676 -17.345 1.00 0.00 C ATOM 895 C CYS A 59 -4.261 14.076 -16.042 1.00 0.00 C ATOM 896 O CYS A 59 -4.652 15.235 -15.880 1.00 0.00 O ATOM 897 CB CYS A 59 -2.076 13.922 -17.177 1.00 0.00 C ATOM 898 SG CYS A 59 -1.195 14.145 -18.750 1.00 0.00 S ATOM 0 H CYS A 59 -4.220 15.471 -18.146 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.748 12.627 -17.588 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.928 14.807 -16.559 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.637 13.081 -16.640 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.431 15.194 -18.674 1.00 0.00 H new ATOM 904 N TYR A 60 -4.361 13.164 -15.083 1.00 0.00 N ATOM 905 CA TYR A 60 -4.764 13.537 -13.746 1.00 0.00 C ATOM 906 C TYR A 60 -4.101 12.620 -12.740 1.00 0.00 C ATOM 907 O TYR A 60 -3.992 11.420 -12.975 1.00 0.00 O ATOM 908 CB TYR A 60 -6.287 13.611 -13.597 1.00 0.00 C ATOM 909 CG TYR A 60 -7.093 12.344 -13.818 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.139 11.351 -12.822 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.861 12.197 -14.990 1.00 0.00 C ATOM 912 CE1 TYR A 60 -7.951 10.219 -12.998 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.714 11.091 -15.148 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.775 10.099 -14.140 1.00 0.00 C ATOM 915 OH TYR A 60 -9.567 8.994 -14.281 1.00 0.00 O ATOM 0 H TYR A 60 -4.169 12.170 -15.211 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.419 14.551 -13.543 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.506 13.973 -12.593 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.653 14.364 -14.295 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.550 11.459 -11.923 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.794 12.939 -15.772 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.946 9.435 -12.256 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.321 10.998 -16.036 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.674 8.788 -15.233 1.00 0.00 H new ATOM 925 N ILE A 61 -3.657 13.158 -11.608 1.00 0.00 N ATOM 926 CA ILE A 61 -3.211 12.321 -10.505 1.00 0.00 C ATOM 927 C ILE A 61 -4.466 12.048 -9.692 1.00 0.00 C ATOM 928 O ILE A 61 -5.054 12.972 -9.133 1.00 0.00 O ATOM 929 CB ILE A 61 -2.061 12.966 -9.710 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.815 13.137 -10.609 1.00 0.00 C ATOM 931 CG2 ILE A 61 -1.705 12.097 -8.490 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.118 14.241 -10.105 1.00 0.00 C ATOM 0 H ILE A 61 -3.598 14.161 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.768 11.384 -10.842 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.387 13.948 -9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.269 12.195 -10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.132 13.369 -11.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.891 12.564 -7.936 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.577 12.004 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.395 11.108 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.978 14.322 -10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.418 15.190 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.459 13.998 -9.099 1.00 0.00 H new ATOM 944 N LYS A 62 -4.891 10.789 -9.655 1.00 0.00 N ATOM 945 CA LYS A 62 -5.978 10.315 -8.816 1.00 0.00 C ATOM 946 C LYS A 62 -5.364 10.084 -7.447 1.00 0.00 C ATOM 947 O LYS A 62 -4.343 9.408 -7.350 1.00 0.00 O ATOM 948 CB LYS A 62 -6.557 9.043 -9.458 1.00 0.00 C ATOM 949 CG LYS A 62 -7.941 8.644 -8.930 1.00 0.00 C ATOM 950 CD LYS A 62 -8.534 7.544 -9.832 1.00 0.00 C ATOM 951 CE LYS A 62 -9.910 7.020 -9.394 1.00 0.00 C ATOM 952 NZ LYS A 62 -10.916 8.097 -9.212 1.00 0.00 N ATOM 0 H LYS A 62 -4.475 10.053 -10.225 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.809 11.014 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.621 9.191 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.865 8.218 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.862 8.285 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.601 9.512 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.616 7.932 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.837 6.707 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.276 6.312 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.802 6.471 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.872 7.695 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.795 8.530 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.786 8.821 -9.947 1.00 0.00 H new ATOM 966 N ALA A 63 -5.946 10.670 -6.413 1.00 0.00 N ATOM 967 CA ALA A 63 -5.465 10.614 -5.055 1.00 0.00 C ATOM 968 C ALA A 63 -6.641 10.116 -4.223 1.00 0.00 C ATOM 969 O ALA A 63 -7.512 10.892 -3.838 1.00 0.00 O ATOM 970 CB ALA A 63 -4.973 12.001 -4.644 1.00 0.00 C ATOM 0 H ALA A 63 -6.801 11.218 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.617 9.943 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.607 11.968 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.166 12.312 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.795 12.714 -4.714 1.00 0.00 H new ATOM 976 N VAL A 64 -6.715 8.804 -4.038 1.00 0.00 N ATOM 977 CA VAL A 64 -7.866 8.131 -3.462 1.00 0.00 C ATOM 978 C VAL A 64 -7.718 8.152 -1.949 1.00 0.00 C ATOM 979 O VAL A 64 -6.729 7.616 -1.456 1.00 0.00 O ATOM 980 CB VAL A 64 -7.966 6.663 -3.948 1.00 0.00 C ATOM 981 CG1 VAL A 64 -9.393 6.147 -3.759 1.00 0.00 C ATOM 982 CG2 VAL A 64 -7.556 6.468 -5.416 1.00 0.00 C ATOM 0 H VAL A 64 -5.959 8.167 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.773 8.648 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.260 6.097 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.455 5.115 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.660 6.194 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.082 6.764 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.652 5.416 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.203 7.066 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.521 6.784 -5.550 1.00 0.00 H new ATOM 992 N SER A 65 -8.662 8.717 -1.203 1.00 0.00 N ATOM 993 CA SER A 65 -8.675 8.578 0.246 1.00 0.00 C ATOM 994 C SER A 65 -9.129 7.149 0.569 1.00 0.00 C ATOM 995 O SER A 65 -10.290 6.799 0.325 1.00 0.00 O ATOM 996 CB SER A 65 -9.574 9.650 0.875 1.00 0.00 C ATOM 997 OG SER A 65 -9.262 10.939 0.352 1.00 0.00 O ATOM 0 H SER A 65 -9.428 9.276 -1.580 1.00 0.00 H new ATOM 0 HA SER A 65 -7.684 8.734 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.620 9.416 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.445 9.650 1.957 1.00 0.00 H new ATOM 0 HG SER A 65 -9.847 11.609 0.764 1.00 0.00 H new ATOM 1003 N SER A 66 -8.208 6.318 1.069 1.00 0.00 N ATOM 1004 CA SER A 66 -8.396 4.886 1.264 1.00 0.00 C ATOM 1005 C SER A 66 -7.882 4.458 2.648 1.00 0.00 C ATOM 1006 O SER A 66 -7.298 5.259 3.387 1.00 0.00 O ATOM 1007 CB SER A 66 -7.699 4.149 0.107 1.00 0.00 C ATOM 1008 OG SER A 66 -8.383 4.368 -1.120 1.00 0.00 O ATOM 0 H SER A 66 -7.284 6.639 1.357 1.00 0.00 H new ATOM 0 HA SER A 66 -9.454 4.626 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.668 4.493 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.661 3.081 0.321 1.00 0.00 H new ATOM 0 HG SER A 66 -7.921 3.892 -1.841 1.00 0.00 H new ATOM 1014 N GLY A 67 -8.104 3.190 3.007 1.00 0.00 N ATOM 1015 CA GLY A 67 -7.858 2.673 4.350 1.00 0.00 C ATOM 1016 C GLY A 67 -9.066 2.913 5.259 1.00 0.00 C ATOM 1017 O GLY A 67 -10.126 3.353 4.802 1.00 0.00 O ATOM 0 H GLY A 67 -8.464 2.487 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.643 1.606 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.978 3.156 4.774 1.00 0.00 H new ATOM 1021 N LYS A 68 -8.916 2.583 6.547 1.00 0.00 N ATOM 1022 CA LYS A 68 -9.924 2.790 7.589 1.00 0.00 C ATOM 1023 C LYS A 68 -9.226 3.402 8.798 1.00 0.00 C ATOM 1024 O LYS A 68 -8.078 3.048 9.080 1.00 0.00 O ATOM 1025 CB LYS A 68 -10.618 1.468 7.966 1.00 0.00 C ATOM 1026 CG LYS A 68 -11.460 0.880 6.820 1.00 0.00 C ATOM 1027 CD LYS A 68 -12.193 -0.390 7.270 1.00 0.00 C ATOM 1028 CE LYS A 68 -13.006 -0.963 6.101 1.00 0.00 C ATOM 1029 NZ LYS A 68 -13.739 -2.201 6.477 1.00 0.00 N ATOM 0 H LYS A 68 -8.063 2.151 6.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.703 3.460 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.863 0.741 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.259 1.635 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.184 1.620 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.815 0.651 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.474 -1.130 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.853 -0.163 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.717 -0.213 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.338 -1.178 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.273 -2.551 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.060 -2.927 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.397 -1.992 7.255 1.00 0.00 H new ATOM 1043 N ARG A 69 -9.928 4.271 9.536 1.00 0.00 N ATOM 1044 CA ARG A 69 -9.410 5.137 10.607 1.00 0.00 C ATOM 1045 C ARG A 69 -8.287 6.043 10.089 1.00 0.00 C ATOM 1046 O ARG A 69 -8.514 7.239 9.897 1.00 0.00 O ATOM 1047 CB ARG A 69 -9.080 4.321 11.874 1.00 0.00 C ATOM 1048 CG ARG A 69 -8.618 5.160 13.086 1.00 0.00 C ATOM 1049 CD ARG A 69 -9.616 6.228 13.554 1.00 0.00 C ATOM 1050 NE ARG A 69 -10.908 5.650 13.976 1.00 0.00 N ATOM 1051 CZ ARG A 69 -11.997 6.347 14.338 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -11.983 7.680 14.331 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -13.102 5.702 14.704 1.00 0.00 N ATOM 0 H ARG A 69 -10.930 4.397 9.395 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.190 5.828 10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.963 3.750 12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.300 3.600 11.631 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.413 4.486 13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.677 5.649 12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.183 6.786 14.384 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.787 6.940 12.746 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.979 4.633 13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.140 8.180 14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.816 8.200 14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.119 4.682 14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.932 6.227 14.980 1.00 0.00 H new ATOM 1067 N LYS A 70 -7.089 5.503 9.857 1.00 0.00 N ATOM 1068 CA LYS A 70 -6.023 6.209 9.158 1.00 0.00 C ATOM 1069 C LYS A 70 -6.458 6.327 7.698 1.00 0.00 C ATOM 1070 O LYS A 70 -6.801 5.314 7.081 1.00 0.00 O ATOM 1071 CB LYS A 70 -4.705 5.414 9.286 1.00 0.00 C ATOM 1072 CG LYS A 70 -3.607 5.791 8.266 1.00 0.00 C ATOM 1073 CD LYS A 70 -3.148 7.258 8.277 1.00 0.00 C ATOM 1074 CE LYS A 70 -2.516 7.657 9.624 1.00 0.00 C ATOM 1075 NZ LYS A 70 -1.950 9.032 9.598 1.00 0.00 N ATOM 0 H LYS A 70 -6.834 4.560 10.151 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.848 7.199 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.309 5.557 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.928 4.352 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.738 5.158 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.971 5.553 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.425 7.417 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.000 7.906 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.269 7.592 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.728 6.947 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.536 9.255 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.212 9.090 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.705 9.714 9.383 1.00 0.00 H new ATOM 1089 N GLU A 71 -6.382 7.533 7.137 1.00 0.00 N ATOM 1090 CA GLU A 71 -6.546 7.733 5.715 1.00 0.00 C ATOM 1091 C GLU A 71 -5.161 7.669 5.073 1.00 0.00 C ATOM 1092 O GLU A 71 -4.317 8.534 5.319 1.00 0.00 O ATOM 1093 CB GLU A 71 -7.291 9.040 5.394 1.00 0.00 C ATOM 1094 CG GLU A 71 -8.712 9.096 5.969 1.00 0.00 C ATOM 1095 CD GLU A 71 -9.616 7.967 5.434 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -9.931 7.966 4.219 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -10.039 7.099 6.238 1.00 0.00 O ATOM 0 H GLU A 71 -6.205 8.390 7.661 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.175 6.947 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.717 9.880 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.341 9.163 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.662 9.032 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.160 10.060 5.727 1.00 0.00 H new ATOM 1104 N GLY A 72 -4.922 6.630 4.272 1.00 0.00 N ATOM 1105 CA GLY A 72 -3.756 6.508 3.412 1.00 0.00 C ATOM 1106 C GLY A 72 -4.212 6.895 2.014 1.00 0.00 C ATOM 1107 O GLY A 72 -5.041 6.196 1.429 1.00 0.00 O ATOM 0 H GLY A 72 -5.554 5.832 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.952 7.160 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.368 5.490 3.426 1.00 0.00 H new ATOM 1111 N ILE A 73 -3.735 8.026 1.495 1.00 0.00 N ATOM 1112 CA ILE A 73 -4.177 8.507 0.193 1.00 0.00 C ATOM 1113 C ILE A 73 -3.334 7.770 -0.859 1.00 0.00 C ATOM 1114 O ILE A 73 -2.102 7.862 -0.837 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.126 10.050 0.094 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.175 10.782 0.965 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -4.424 10.496 -1.346 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -5.103 10.545 2.474 1.00 0.00 C ATOM 0 H ILE A 73 -3.046 8.621 1.956 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.230 8.284 0.020 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.125 10.309 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.080 11.853 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.167 10.488 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.386 11.584 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.681 10.069 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.417 10.152 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.890 11.113 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.236 9.483 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.132 10.869 2.847 1.00 0.00 H new ATOM 1130 N ILE A 74 -3.978 7.054 -1.785 1.00 0.00 N ATOM 1131 CA ILE A 74 -3.310 6.298 -2.837 1.00 0.00 C ATOM 1132 C ILE A 74 -3.169 7.248 -4.016 1.00 0.00 C ATOM 1133 O ILE A 74 -4.179 7.624 -4.609 1.00 0.00 O ATOM 1134 CB ILE A 74 -4.107 5.018 -3.180 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -4.264 4.095 -1.951 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -3.486 4.252 -4.364 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -2.965 3.535 -1.358 1.00 0.00 C ATOM 0 H ILE A 74 -4.995 6.985 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.326 5.945 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.102 5.343 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.787 4.648 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.903 3.257 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.078 3.360 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.475 4.892 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.466 3.961 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.199 2.902 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.445 2.946 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.327 4.358 -1.037 1.00 0.00 H new ATOM 1149 N HIS A 75 -1.943 7.653 -4.348 1.00 0.00 N ATOM 1150 CA HIS A 75 -1.679 8.513 -5.494 1.00 0.00 C ATOM 1151 C HIS A 75 -1.356 7.634 -6.702 1.00 0.00 C ATOM 1152 O HIS A 75 -0.481 6.768 -6.622 1.00 0.00 O ATOM 1153 CB HIS A 75 -0.542 9.496 -5.176 1.00 0.00 C ATOM 1154 CG HIS A 75 -0.910 10.536 -4.144 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -0.892 10.383 -2.772 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.299 11.825 -4.400 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.257 11.556 -2.222 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.523 12.467 -3.176 1.00 0.00 N ATOM 0 H HIS A 75 -1.106 7.392 -3.827 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.559 9.113 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.323 8.935 -4.822 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.241 9.999 -6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.413 12.269 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.327 11.741 -1.160 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.827 13.431 -3.036 1.00 0.00 H new ATOM 1166 N THR A 76 -2.023 7.885 -7.829 1.00 0.00 N ATOM 1167 CA THR A 76 -1.779 7.228 -9.106 1.00 0.00 C ATOM 1168 C THR A 76 -1.833 8.284 -10.195 1.00 0.00 C ATOM 1169 O THR A 76 -2.699 9.153 -10.138 1.00 0.00 O ATOM 1170 CB THR A 76 -2.839 6.146 -9.384 1.00 0.00 C ATOM 1171 OG1 THR A 76 -3.143 5.375 -8.231 1.00 0.00 O ATOM 1172 CG2 THR A 76 -2.339 5.210 -10.483 1.00 0.00 C ATOM 0 H THR A 76 -2.773 8.575 -7.876 1.00 0.00 H new ATOM 0 HA THR A 76 -0.804 6.742 -9.083 1.00 0.00 H new ATOM 0 HB THR A 76 -3.749 6.660 -9.694 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.821 4.704 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.090 4.445 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.158 5.782 -11.393 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.412 4.735 -10.162 1.00 0.00 H new ATOM 1180 N LEU A 77 -0.971 8.214 -11.206 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.111 9.058 -12.380 1.00 0.00 C ATOM 1182 C LEU A 77 -2.000 8.336 -13.374 1.00 0.00 C ATOM 1183 O LEU A 77 -1.797 7.159 -13.646 1.00 0.00 O ATOM 1184 CB LEU A 77 0.269 9.384 -12.966 1.00 0.00 C ATOM 1185 CG LEU A 77 0.211 10.167 -14.287 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.337 11.582 -14.088 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.615 10.258 -14.885 1.00 0.00 C ATOM 0 H LEU A 77 -0.171 7.582 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.573 10.011 -12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.836 9.962 -12.236 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.813 8.454 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.461 9.634 -14.959 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.361 12.101 -15.046 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.346 11.527 -13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.305 12.127 -13.396 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.576 10.813 -15.822 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.275 10.772 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.996 9.254 -15.073 1.00 0.00 H new ATOM 1199 N ILE A 78 -2.980 9.031 -13.925 1.00 0.00 N ATOM 1200 CA ILE A 78 -3.787 8.597 -15.043 1.00 0.00 C ATOM 1201 C ILE A 78 -3.399 9.517 -16.209 1.00 0.00 C ATOM 1202 O ILE A 78 -3.197 10.717 -16.005 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.289 8.649 -14.670 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -5.790 7.383 -13.939 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.175 8.870 -15.903 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.151 7.163 -12.575 1.00 0.00 C ATOM 0 H ILE A 78 -3.244 9.956 -13.586 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.610 7.559 -15.326 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.371 9.495 -13.988 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.871 7.451 -13.816 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.594 6.513 -14.565 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.221 8.900 -15.599 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.908 9.814 -16.379 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.026 8.053 -16.609 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.555 6.255 -12.126 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.072 7.062 -12.691 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.368 8.014 -11.930 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.320 8.987 -17.429 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.109 9.749 -18.651 1.00 0.00 C ATOM 1220 C VAL A 79 -4.028 9.173 -19.718 1.00 0.00 C ATOM 1221 O VAL A 79 -4.094 7.954 -19.854 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.635 9.697 -19.090 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.387 10.600 -20.308 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.689 10.106 -17.956 1.00 0.00 C ATOM 0 H VAL A 79 -3.404 7.984 -17.595 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.344 10.801 -18.486 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.426 8.662 -19.361 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.337 10.543 -20.595 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.009 10.269 -21.139 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.638 11.630 -20.055 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.342 10.056 -18.306 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.917 11.125 -17.642 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.819 9.429 -17.112 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.740 10.026 -20.460 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.723 9.623 -21.476 1.00 0.00 C ATOM 1236 C ASP A 80 -6.714 8.579 -20.929 1.00 0.00 C ATOM 1237 O ASP A 80 -7.094 7.623 -21.604 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.021 9.204 -22.777 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.014 8.967 -23.932 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.956 9.778 -24.114 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.815 8.001 -24.708 1.00 0.00 O ATOM 0 H ASP A 80 -4.649 11.038 -20.371 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.338 10.486 -21.731 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.309 9.976 -23.067 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.449 8.293 -22.601 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.100 8.746 -19.657 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.947 7.845 -18.864 1.00 0.00 C ATOM 1248 C ASN A 81 -7.368 6.434 -18.620 1.00 0.00 C ATOM 1249 O ASN A 81 -8.075 5.565 -18.106 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.391 7.830 -19.402 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.399 7.328 -18.364 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.332 7.675 -17.187 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.380 6.538 -18.777 1.00 0.00 N ATOM 0 H ASN A 81 -6.811 9.564 -19.121 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.967 8.270 -17.861 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.669 8.836 -19.716 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.439 7.195 -20.287 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.086 6.214 -18.116 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.429 6.254 -19.756 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.095 6.173 -18.952 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.376 4.950 -18.621 1.00 0.00 C ATOM 1262 C ARG A 82 -4.573 5.166 -17.358 1.00 0.00 C ATOM 1263 O ARG A 82 -4.109 6.271 -17.098 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.445 4.541 -19.773 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.217 3.851 -20.893 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.061 4.778 -21.775 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.667 4.058 -22.909 1.00 0.00 N ATOM 1268 CZ ARG A 82 -7.603 4.561 -23.725 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -8.039 5.808 -23.565 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.109 3.805 -24.699 1.00 0.00 N ATOM 0 H ARG A 82 -5.524 6.836 -19.477 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.097 4.148 -18.462 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.941 5.424 -20.167 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.670 3.872 -19.397 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.507 3.320 -21.527 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.873 3.101 -20.451 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.847 5.235 -21.173 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.437 5.588 -22.152 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.350 3.105 -23.086 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.660 6.389 -22.817 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.752 6.183 -24.191 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.784 2.846 -24.822 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.822 4.185 -25.322 1.00 0.00 H new ATOM 1284 N GLU A 83 -4.392 4.104 -16.585 1.00 0.00 N ATOM 1285 CA GLU A 83 -3.715 4.154 -15.303 1.00 0.00 C ATOM 1286 C GLU A 83 -2.218 3.883 -15.488 1.00 0.00 C ATOM 1287 O GLU A 83 -1.837 2.943 -16.191 1.00 0.00 O ATOM 1288 CB GLU A 83 -4.415 3.191 -14.338 1.00 0.00 C ATOM 1289 CG GLU A 83 -3.785 3.207 -12.949 1.00 0.00 C ATOM 1290 CD GLU A 83 -4.534 2.261 -11.991 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -5.554 2.680 -11.391 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -4.098 1.096 -11.829 1.00 0.00 O ATOM 0 H GLU A 83 -4.717 3.171 -16.838 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.778 5.148 -14.859 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.469 3.460 -14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.373 2.180 -14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.739 2.908 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.801 4.221 -12.550 1.00 0.00 H new ATOM 1299 N ILE A 84 -1.377 4.704 -14.849 1.00 0.00 N ATOM 1300 CA ILE A 84 0.079 4.677 -14.918 1.00 0.00 C ATOM 1301 C ILE A 84 0.587 4.362 -13.496 1.00 0.00 C ATOM 1302 O ILE A 84 0.410 5.192 -12.599 1.00 0.00 O ATOM 1303 CB ILE A 84 0.616 6.031 -15.456 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.070 6.522 -16.750 1.00 0.00 C ATOM 1305 CG2 ILE A 84 2.141 5.992 -15.639 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.010 5.576 -17.953 1.00 0.00 C ATOM 0 H ILE A 84 -1.719 5.445 -14.237 1.00 0.00 H new ATOM 0 HA ILE A 84 0.438 3.915 -15.610 1.00 0.00 H new ATOM 0 HB ILE A 84 0.361 6.761 -14.688 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.117 6.724 -16.526 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.383 7.471 -17.038 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.487 6.954 -16.017 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.617 5.786 -14.680 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.402 5.208 -16.350 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.525 6.031 -18.799 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.031 5.391 -18.219 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.493 4.633 -17.698 1.00 0.00 H new ATOM 1318 N PRO A 85 1.196 3.189 -13.251 1.00 0.00 N ATOM 1319 CA PRO A 85 1.765 2.850 -11.952 1.00 0.00 C ATOM 1320 C PRO A 85 3.049 3.651 -11.689 1.00 0.00 C ATOM 1321 O PRO A 85 3.758 4.028 -12.626 1.00 0.00 O ATOM 1322 CB PRO A 85 2.025 1.342 -12.005 1.00 0.00 C ATOM 1323 CG PRO A 85 2.288 1.078 -13.488 1.00 0.00 C ATOM 1324 CD PRO A 85 1.383 2.092 -14.190 1.00 0.00 C ATOM 0 HA PRO A 85 1.094 3.102 -11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.879 1.060 -11.389 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.169 0.774 -11.642 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.337 1.229 -13.744 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.037 0.054 -13.765 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.839 2.445 -15.115 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.427 1.641 -14.457 1.00 0.00 H new ATOM 1332 N GLU A 86 3.350 3.897 -10.408 1.00 0.00 N ATOM 1333 CA GLU A 86 4.586 4.541 -9.963 1.00 0.00 C ATOM 1334 C GLU A 86 5.805 3.788 -10.499 1.00 0.00 C ATOM 1335 O GLU A 86 5.750 2.581 -10.776 1.00 0.00 O ATOM 1336 CB GLU A 86 4.642 4.591 -8.429 1.00 0.00 C ATOM 1337 CG GLU A 86 4.202 5.965 -7.932 1.00 0.00 C ATOM 1338 CD GLU A 86 4.343 6.064 -6.407 1.00 0.00 C ATOM 1339 OE1 GLU A 86 3.512 5.488 -5.666 1.00 0.00 O ATOM 1340 OE2 GLU A 86 5.271 6.764 -5.938 1.00 0.00 O ATOM 0 H GLU A 86 2.727 3.648 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 86 4.599 5.559 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.996 3.820 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.655 4.380 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.804 6.739 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.166 6.146 -8.218 1.00 0.00 H new ATOM 1347 N ILE A 87 6.931 4.496 -10.586 1.00 0.00 N ATOM 1348 CA ILE A 87 8.205 3.888 -10.949 1.00 0.00 C ATOM 1349 C ILE A 87 8.593 2.781 -9.954 1.00 0.00 C ATOM 1350 O ILE A 87 8.245 2.831 -8.773 1.00 0.00 O ATOM 1351 CB ILE A 87 9.309 4.955 -11.090 1.00 0.00 C ATOM 1352 CG1 ILE A 87 9.476 5.814 -9.827 1.00 0.00 C ATOM 1353 CG2 ILE A 87 9.065 5.796 -12.353 1.00 0.00 C ATOM 1354 CD1 ILE A 87 10.844 6.507 -9.762 1.00 0.00 C ATOM 0 H ILE A 87 6.983 5.499 -10.408 1.00 0.00 H new ATOM 0 HA ILE A 87 8.091 3.416 -11.925 1.00 0.00 H new ATOM 0 HB ILE A 87 10.263 4.439 -11.204 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.689 6.568 -9.798 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.349 5.186 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.849 6.548 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.077 5.148 -13.229 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.096 6.289 -12.280 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.908 7.100 -8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.633 5.755 -9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.963 7.158 -10.628 1.00 0.00 H new ATOM 1366 N ALA A 88 9.355 1.801 -10.458 1.00 0.00 N ATOM 1367 CA ALA A 88 9.880 0.654 -9.715 1.00 0.00 C ATOM 1368 C ALA A 88 8.819 -0.182 -8.974 1.00 0.00 C ATOM 1369 O ALA A 88 9.117 -0.854 -7.979 1.00 0.00 O ATOM 1370 CB ALA A 88 11.033 1.100 -8.819 1.00 0.00 C ATOM 0 H ALA A 88 9.633 1.788 -11.439 1.00 0.00 H new ATOM 0 HA ALA A 88 10.265 -0.049 -10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.419 0.242 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.827 1.525 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.677 1.852 -8.115 1.00 0.00 H new ATOM 1376 N SER A 89 7.584 -0.138 -9.470 1.00 0.00 N ATOM 1377 CA SER A 89 6.508 -1.024 -9.039 1.00 0.00 C ATOM 1378 C SER A 89 6.835 -2.453 -9.487 1.00 0.00 C ATOM 1379 O SER A 89 6.616 -3.396 -8.692 1.00 0.00 O ATOM 1380 CB SER A 89 5.156 -0.571 -9.600 1.00 0.00 C ATOM 1381 OG SER A 89 4.815 0.724 -9.136 1.00 0.00 O ATOM 1382 OXT SER A 89 7.309 -2.634 -10.633 1.00 0.00 O ATOM 0 H SER A 89 7.300 0.524 -10.192 1.00 0.00 H new ATOM 0 HA SER A 89 6.430 -0.991 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.193 -0.571 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.382 -1.280 -9.307 1.00 0.00 H new ATOM 0 HG SER A 89 5.100 1.393 -9.793 1.00 0.00 H new TER 1388 SER A 89