USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot 171:sc= 1.09 USER MOD Set 1.2: B 165 THR OG1 : rot 77:sc= 0.969 USER MOD Set 2.1: A 67 TYR OH : rot 30:sc= 0.105 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -117:sc= 0.0609 (180deg=-0.107) USER MOD Set 3.1: A 115 LYS NZ :NH3+ 177:sc= 1.43 (180deg=1.18) USER MOD Set 3.2: A 116 SER OG : rot 89:sc= 1.43 USER MOD Set 4.1: A 53 TYR OH : rot -43:sc= 1.03 USER MOD Set 4.2: A 60 SER OG : rot 180:sc=-0.00254 USER MOD Set 4.3: A 61 HIS : no HD1:sc= -2.51 K(o=-1.5,f=-2.9) USER MOD Set 5.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0.908) USER MOD Set 6.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 27 SER OG : rot 97:sc= 0.782 USER MOD Set 7.2: A 31 LYS NZ :NH3+ 167:sc= 0.889 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.9!) USER MOD Single : A 9 ASN : amide:sc=-0.00546 K(o=-0.0055,f=-1.3) USER MOD Single : A 13 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 16 SER OG : rot 71:sc= 1.32 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.0064) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= 0 USER MOD Single : A 57 CYS SG : rot 102:sc= -0.373 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.0284 (180deg=-0.227) USER MOD Single : A 65 SER OG : rot 94:sc= 0.981 USER MOD Single : A 71 SER OG : rot -60:sc= -1.13 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00267 USER MOD Single : A 80 THR OG1 : rot -150:sc= 0 USER MOD Single : A 93 THR OG1 : rot -5:sc= 0.663 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.0213 USER MOD Single : A 96 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 100 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 106 GLN : amide:sc= 0.324 K(o=0.32,f=-0.89) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 118 GLN : amide:sc= 0.0568 K(o=0.057,f=-5.1!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 166:sc= 0 (180deg=-0.179) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD Single : B 162 TYR OH : rot -76:sc= 0.472 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -2.040 -5.733 20.557 1.00 0.00 N ATOM 79 CA ASP A 6 -1.559 -4.380 20.305 1.00 0.00 C ATOM 80 C ASP A 6 -0.842 -4.311 18.948 1.00 0.00 C ATOM 81 O ASP A 6 -1.072 -5.155 18.080 1.00 0.00 O ATOM 82 CB ASP A 6 -0.646 -3.988 21.472 1.00 0.00 C ATOM 83 CG ASP A 6 -0.410 -2.481 21.528 1.00 0.00 C ATOM 84 OD1 ASP A 6 -1.359 -1.762 21.913 1.00 0.00 O ATOM 85 OD2 ASP A 6 0.716 -2.062 21.183 1.00 0.00 O ATOM 0 HA ASP A 6 -2.386 -3.672 20.247 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.092 -4.321 22.409 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.310 -4.502 21.373 1.00 0.00 H new ATOM 90 N PHE A 7 0.028 -3.313 18.750 1.00 0.00 N ATOM 91 CA PHE A 7 0.776 -3.131 17.511 1.00 0.00 C ATOM 92 C PHE A 7 1.572 -4.389 17.157 1.00 0.00 C ATOM 93 O PHE A 7 2.049 -4.529 16.031 1.00 0.00 O ATOM 94 CB PHE A 7 1.712 -1.932 17.688 1.00 0.00 C ATOM 95 CG PHE A 7 2.400 -1.451 16.424 1.00 0.00 C ATOM 96 CD1 PHE A 7 1.668 -1.268 15.241 1.00 0.00 C ATOM 97 CD2 PHE A 7 3.775 -1.176 16.435 1.00 0.00 C ATOM 98 CE1 PHE A 7 2.310 -0.813 14.080 1.00 0.00 C ATOM 99 CE2 PHE A 7 4.415 -0.715 15.276 1.00 0.00 C ATOM 100 CZ PHE A 7 3.683 -0.534 14.095 1.00 0.00 C ATOM 0 H PHE A 7 0.231 -2.605 19.456 1.00 0.00 H new ATOM 0 HA PHE A 7 0.083 -2.947 16.690 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.139 -1.105 18.107 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.476 -2.194 18.420 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.609 -1.478 15.224 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.344 -1.320 17.341 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.744 -0.677 13.171 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.473 -0.499 15.293 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.175 -0.181 13.201 1.00 0.00 H new ATOM 110 N GLN A 8 1.710 -5.303 18.124 1.00 0.00 N ATOM 111 CA GLN A 8 2.350 -6.590 17.942 1.00 0.00 C ATOM 112 C GLN A 8 1.762 -7.316 16.738 1.00 0.00 C ATOM 113 O GLN A 8 2.512 -7.882 15.949 1.00 0.00 O ATOM 114 CB GLN A 8 2.111 -7.401 19.218 1.00 0.00 C ATOM 115 CG GLN A 8 2.672 -8.820 19.122 1.00 0.00 C ATOM 116 CD GLN A 8 4.194 -8.815 19.069 1.00 0.00 C ATOM 117 OE1 GLN A 8 4.790 -8.991 18.009 1.00 0.00 O ATOM 118 NE2 GLN A 8 4.841 -8.614 20.214 1.00 0.00 N ATOM 0 H GLN A 8 1.368 -5.155 19.074 1.00 0.00 H new ATOM 0 HA GLN A 8 3.417 -6.462 17.759 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.571 -6.888 20.063 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.041 -7.449 19.419 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.339 -9.403 19.980 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.277 -9.309 18.231 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.317 -8.471 21.077 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.861 -8.603 20.228 1.00 0.00 H new ATOM 127 N ASN A 9 0.434 -7.309 16.587 1.00 0.00 N ATOM 128 CA ASN A 9 -0.204 -7.996 15.473 1.00 0.00 C ATOM 129 C ASN A 9 0.242 -7.400 14.142 1.00 0.00 C ATOM 130 O ASN A 9 0.545 -8.141 13.209 1.00 0.00 O ATOM 131 CB ASN A 9 -1.730 -7.932 15.606 1.00 0.00 C ATOM 132 CG ASN A 9 -2.238 -8.732 16.799 1.00 0.00 C ATOM 133 OD1 ASN A 9 -1.464 -9.299 17.566 1.00 0.00 O ATOM 134 ND2 ASN A 9 -3.555 -8.787 16.968 1.00 0.00 N ATOM 0 H ASN A 9 -0.212 -6.837 17.220 1.00 0.00 H new ATOM 0 HA ASN A 9 0.102 -9.042 15.497 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.041 -6.892 15.709 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.189 -8.313 14.694 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.947 -9.310 17.751 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.174 -8.306 16.315 1.00 0.00 H new ATOM 141 N PHE A 10 0.289 -6.068 14.040 1.00 0.00 N ATOM 142 CA PHE A 10 0.655 -5.417 12.793 1.00 0.00 C ATOM 143 C PHE A 10 2.103 -5.736 12.426 1.00 0.00 C ATOM 144 O PHE A 10 2.384 -6.162 11.307 1.00 0.00 O ATOM 145 CB PHE A 10 0.443 -3.910 12.937 1.00 0.00 C ATOM 146 CG PHE A 10 0.610 -3.141 11.647 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.888 -2.849 11.155 1.00 0.00 C ATOM 148 CD2 PHE A 10 -0.522 -2.717 10.941 1.00 0.00 C ATOM 149 CE1 PHE A 10 2.032 -2.146 9.952 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.381 -2.005 9.743 1.00 0.00 C ATOM 151 CZ PHE A 10 0.899 -1.725 9.246 1.00 0.00 C ATOM 0 H PHE A 10 0.078 -5.428 14.806 1.00 0.00 H new ATOM 0 HA PHE A 10 0.023 -5.790 11.987 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.558 -3.730 13.329 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.148 -3.523 13.673 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.763 -3.166 11.703 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.508 -2.940 11.322 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.018 -1.929 9.569 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.256 -1.673 9.204 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.011 -1.184 8.318 1.00 0.00 H new ATOM 161 N VAL A 11 3.028 -5.531 13.368 1.00 0.00 N ATOM 162 CA VAL A 11 4.439 -5.781 13.121 1.00 0.00 C ATOM 163 C VAL A 11 4.653 -7.258 12.817 1.00 0.00 C ATOM 164 O VAL A 11 5.216 -7.600 11.780 1.00 0.00 O ATOM 165 CB VAL A 11 5.276 -5.348 14.328 1.00 0.00 C ATOM 166 CG1 VAL A 11 6.760 -5.633 14.082 1.00 0.00 C ATOM 167 CG2 VAL A 11 5.113 -3.849 14.571 1.00 0.00 C ATOM 0 H VAL A 11 2.819 -5.192 14.307 1.00 0.00 H new ATOM 0 HA VAL A 11 4.761 -5.196 12.259 1.00 0.00 H new ATOM 0 HB VAL A 11 4.929 -5.911 15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.340 -5.319 14.950 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.903 -6.701 13.917 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.095 -5.082 13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.713 -3.553 15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.446 -3.299 13.690 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.064 -3.624 14.765 1.00 0.00 H new ATOM 177 N ALA A 12 4.207 -8.136 13.718 1.00 0.00 N ATOM 178 CA ALA A 12 4.372 -9.571 13.577 1.00 0.00 C ATOM 179 C ALA A 12 3.762 -10.087 12.275 1.00 0.00 C ATOM 180 O ALA A 12 4.267 -11.058 11.715 1.00 0.00 O ATOM 181 CB ALA A 12 3.729 -10.261 14.779 1.00 0.00 C ATOM 0 H ALA A 12 3.718 -7.862 14.570 1.00 0.00 H new ATOM 0 HA ALA A 12 5.437 -9.798 13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.846 -11.341 14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.213 -9.922 15.695 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.668 -10.013 14.816 1.00 0.00 H new ATOM 187 N THR A 13 2.689 -9.459 11.783 1.00 0.00 N ATOM 188 CA THR A 13 2.105 -9.869 10.514 1.00 0.00 C ATOM 189 C THR A 13 2.987 -9.432 9.349 1.00 0.00 C ATOM 190 O THR A 13 3.197 -10.210 8.418 1.00 0.00 O ATOM 191 CB THR A 13 0.691 -9.303 10.365 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.140 -9.858 11.358 1.00 0.00 O ATOM 193 CG2 THR A 13 0.110 -9.681 9.006 1.00 0.00 C ATOM 0 H THR A 13 2.218 -8.678 12.240 1.00 0.00 H new ATOM 0 HA THR A 13 2.041 -10.957 10.502 1.00 0.00 H new ATOM 0 HB THR A 13 0.741 -8.218 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.116 -9.502 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.896 -9.272 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.741 -9.275 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.070 -10.767 8.917 1.00 0.00 H new ATOM 201 N LEU A 14 3.508 -8.201 9.385 1.00 0.00 N ATOM 202 CA LEU A 14 4.361 -7.716 8.307 1.00 0.00 C ATOM 203 C LEU A 14 5.669 -8.511 8.286 1.00 0.00 C ATOM 204 O LEU A 14 6.273 -8.702 7.234 1.00 0.00 O ATOM 205 CB LEU A 14 4.622 -6.224 8.514 1.00 0.00 C ATOM 206 CG LEU A 14 5.115 -5.510 7.248 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.051 -5.532 6.149 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.403 -4.057 7.610 1.00 0.00 C ATOM 0 H LEU A 14 3.354 -7.533 10.141 1.00 0.00 H new ATOM 0 HA LEU A 14 3.869 -7.855 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.704 -5.746 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.362 -6.098 9.304 1.00 0.00 H new ATOM 0 HG LEU A 14 6.005 -6.019 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.430 -5.019 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.812 -6.565 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.152 -5.028 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.756 -3.525 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.491 -3.586 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.168 -4.020 8.385 1.00 0.00 H new ATOM 220 N GLU A 15 6.098 -8.972 9.464 1.00 0.00 N ATOM 221 CA GLU A 15 7.271 -9.818 9.633 1.00 0.00 C ATOM 222 C GLU A 15 6.987 -11.204 9.074 1.00 0.00 C ATOM 223 O GLU A 15 7.823 -11.784 8.383 1.00 0.00 O ATOM 224 CB GLU A 15 7.590 -9.929 11.126 1.00 0.00 C ATOM 225 CG GLU A 15 8.047 -8.599 11.722 1.00 0.00 C ATOM 226 CD GLU A 15 9.550 -8.410 11.544 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.951 -7.985 10.438 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.287 -8.689 12.516 1.00 0.00 O ATOM 0 H GLU A 15 5.626 -8.760 10.343 1.00 0.00 H new ATOM 0 HA GLU A 15 8.118 -9.383 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.706 -10.279 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.368 -10.678 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.514 -7.778 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.795 -8.565 12.782 1.00 0.00 H new ATOM 235 N SER A 16 5.801 -11.740 9.374 1.00 0.00 N ATOM 236 CA SER A 16 5.371 -13.014 8.818 1.00 0.00 C ATOM 237 C SER A 16 5.256 -12.898 7.303 1.00 0.00 C ATOM 238 O SER A 16 5.395 -13.896 6.598 1.00 0.00 O ATOM 239 CB SER A 16 4.033 -13.432 9.423 1.00 0.00 C ATOM 240 OG SER A 16 4.162 -13.606 10.818 1.00 0.00 O ATOM 0 H SER A 16 5.124 -11.306 10.001 1.00 0.00 H new ATOM 0 HA SER A 16 6.110 -13.777 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.278 -12.675 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.692 -14.360 8.963 1.00 0.00 H new ATOM 0 HG SER A 16 4.276 -12.733 11.247 1.00 0.00 H new ATOM 246 N PHE A 17 5.003 -11.687 6.796 1.00 0.00 N ATOM 247 CA PHE A 17 4.984 -11.429 5.367 1.00 0.00 C ATOM 248 C PHE A 17 6.415 -11.435 4.829 1.00 0.00 C ATOM 249 O PHE A 17 6.672 -11.981 3.760 1.00 0.00 O ATOM 250 CB PHE A 17 4.304 -10.082 5.104 1.00 0.00 C ATOM 251 CG PHE A 17 3.354 -10.088 3.925 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.699 -10.741 2.731 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.117 -9.437 4.030 1.00 0.00 C ATOM 254 CE1 PHE A 17 2.806 -10.749 1.651 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.224 -9.449 2.949 1.00 0.00 C ATOM 256 CZ PHE A 17 1.567 -10.106 1.762 1.00 0.00 C ATOM 0 H PHE A 17 4.807 -10.866 7.369 1.00 0.00 H new ATOM 0 HA PHE A 17 4.420 -12.208 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.755 -9.784 5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.071 -9.327 4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.654 -11.238 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.852 -8.926 4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.073 -11.251 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.270 -8.950 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.876 -10.117 0.932 1.00 0.00 H new ATOM 266 N LYS A 18 7.344 -10.826 5.575 1.00 0.00 N ATOM 267 CA LYS A 18 8.755 -10.776 5.206 1.00 0.00 C ATOM 268 C LYS A 18 9.377 -12.173 5.206 1.00 0.00 C ATOM 269 O LYS A 18 10.330 -12.427 4.471 1.00 0.00 O ATOM 270 CB LYS A 18 9.482 -9.848 6.181 1.00 0.00 C ATOM 271 CG LYS A 18 10.940 -9.641 5.771 1.00 0.00 C ATOM 272 CD LYS A 18 11.600 -8.622 6.700 1.00 0.00 C ATOM 273 CE LYS A 18 13.056 -8.418 6.291 1.00 0.00 C ATOM 274 NZ LYS A 18 13.727 -7.450 7.175 1.00 0.00 N ATOM 0 H LYS A 18 7.133 -10.354 6.454 1.00 0.00 H new ATOM 0 HA LYS A 18 8.852 -10.387 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.972 -8.885 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.441 -10.269 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.478 -10.588 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.991 -9.293 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.064 -7.674 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.548 -8.969 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.583 -9.372 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.101 -8.065 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.715 -7.331 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.237 -6.534 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.704 -7.800 8.154 1.00 0.00 H new ATOM 359 N ILE A 24 0.790 -13.497 -2.090 1.00 0.00 N ATOM 360 CA ILE A 24 0.358 -12.204 -1.560 1.00 0.00 C ATOM 361 C ILE A 24 -0.941 -12.415 -0.778 1.00 0.00 C ATOM 362 O ILE A 24 -1.898 -11.658 -0.916 1.00 0.00 O ATOM 363 CB ILE A 24 0.208 -11.168 -2.690 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.386 -11.203 -3.674 1.00 0.00 C ATOM 365 CG2 ILE A 24 0.083 -9.757 -2.108 1.00 0.00 C ATOM 366 CD1 ILE A 24 2.715 -10.777 -3.050 1.00 0.00 C ATOM 0 HA ILE A 24 1.111 -11.800 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.698 -11.429 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.487 -12.213 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.164 -10.550 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.022 -9.037 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.793 -9.706 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.976 -9.522 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.502 -10.826 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.631 -9.756 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.960 -11.445 -2.224 1.00 0.00 H new ATOM 378 N SER A 25 -0.973 -13.463 0.054 1.00 0.00 N ATOM 379 CA SER A 25 -2.166 -13.872 0.783 1.00 0.00 C ATOM 380 C SER A 25 -2.821 -12.703 1.515 1.00 0.00 C ATOM 381 O SER A 25 -2.172 -11.990 2.279 1.00 0.00 O ATOM 382 CB SER A 25 -1.814 -14.985 1.767 1.00 0.00 C ATOM 383 OG SER A 25 -1.353 -16.120 1.068 1.00 0.00 O ATOM 0 H SER A 25 -0.161 -14.052 0.238 1.00 0.00 H new ATOM 0 HA SER A 25 -2.889 -14.242 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.048 -14.639 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.689 -15.245 2.362 1.00 0.00 H new ATOM 0 HG SER A 25 -1.128 -16.828 1.707 1.00 0.00 H new ATOM 389 N GLY A 26 -4.122 -12.517 1.276 1.00 0.00 N ATOM 390 CA GLY A 26 -4.879 -11.409 1.828 1.00 0.00 C ATOM 391 C GLY A 26 -5.032 -11.466 3.345 1.00 0.00 C ATOM 392 O GLY A 26 -5.402 -10.461 3.944 1.00 0.00 O ATOM 0 H GLY A 26 -4.676 -13.140 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.389 -10.474 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.869 -11.394 1.372 1.00 0.00 H new ATOM 396 N SER A 27 -4.760 -12.611 3.981 1.00 0.00 N ATOM 397 CA SER A 27 -4.916 -12.738 5.425 1.00 0.00 C ATOM 398 C SER A 27 -3.974 -11.780 6.145 1.00 0.00 C ATOM 399 O SER A 27 -4.359 -11.126 7.114 1.00 0.00 O ATOM 400 CB SER A 27 -4.646 -14.182 5.841 1.00 0.00 C ATOM 401 OG SER A 27 -4.773 -14.306 7.242 1.00 0.00 O ATOM 0 H SER A 27 -4.432 -13.458 3.516 1.00 0.00 H new ATOM 0 HA SER A 27 -5.937 -12.477 5.703 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.347 -14.851 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.645 -14.479 5.529 1.00 0.00 H new ATOM 0 HG SER A 27 -5.669 -14.638 7.461 1.00 0.00 H new ATOM 407 N ARG A 28 -2.726 -11.689 5.671 1.00 0.00 N ATOM 408 CA ARG A 28 -1.743 -10.795 6.269 1.00 0.00 C ATOM 409 C ARG A 28 -2.179 -9.355 6.026 1.00 0.00 C ATOM 410 O ARG A 28 -2.062 -8.513 6.913 1.00 0.00 O ATOM 411 CB ARG A 28 -0.355 -11.047 5.669 1.00 0.00 C ATOM 412 CG ARG A 28 0.304 -12.353 6.141 1.00 0.00 C ATOM 413 CD ARG A 28 -0.444 -13.602 5.672 1.00 0.00 C ATOM 414 NE ARG A 28 0.343 -14.812 5.929 1.00 0.00 N ATOM 415 CZ ARG A 28 0.058 -16.007 5.404 1.00 0.00 C ATOM 416 NH1 ARG A 28 -1.009 -16.166 4.624 1.00 0.00 N ATOM 417 NH2 ARG A 28 0.839 -17.052 5.651 1.00 0.00 N ATOM 0 H ARG A 28 -2.379 -12.225 4.876 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.681 -10.981 7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.439 -11.067 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.296 -10.211 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.329 -12.390 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.356 -12.355 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.403 -13.671 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.659 -13.523 4.606 1.00 0.00 H new ATOM 0 HE ARG A 28 1.154 -14.737 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.617 -15.372 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.219 -17.082 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.662 -16.945 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.616 -17.962 5.247 1.00 0.00 H new ATOM 431 N ILE A 29 -2.682 -9.067 4.822 1.00 0.00 N ATOM 432 CA ILE A 29 -3.189 -7.741 4.506 1.00 0.00 C ATOM 433 C ILE A 29 -4.352 -7.414 5.442 1.00 0.00 C ATOM 434 O ILE A 29 -4.489 -6.271 5.869 1.00 0.00 O ATOM 435 CB ILE A 29 -3.610 -7.684 3.029 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.425 -8.087 2.138 1.00 0.00 C ATOM 437 CG2 ILE A 29 -4.091 -6.270 2.685 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.755 -7.999 0.647 1.00 0.00 C ATOM 0 H ILE A 29 -2.746 -9.737 4.056 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.411 -6.992 4.655 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.429 -8.382 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.574 -7.442 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.123 -9.106 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.389 -6.232 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.943 -6.012 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.284 -5.559 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.883 -8.294 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.587 -8.665 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.030 -6.975 0.395 1.00 0.00 H new ATOM 450 N LYS A 30 -5.187 -8.411 5.762 1.00 0.00 N ATOM 451 CA LYS A 30 -6.305 -8.246 6.677 1.00 0.00 C ATOM 452 C LYS A 30 -5.815 -7.823 8.061 1.00 0.00 C ATOM 453 O LYS A 30 -6.340 -6.867 8.618 1.00 0.00 O ATOM 454 CB LYS A 30 -7.109 -9.549 6.730 1.00 0.00 C ATOM 455 CG LYS A 30 -8.600 -9.247 6.608 1.00 0.00 C ATOM 456 CD LYS A 30 -9.117 -8.411 7.785 1.00 0.00 C ATOM 457 CE LYS A 30 -10.558 -8.001 7.504 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.131 -7.232 8.627 1.00 0.00 N ATOM 0 H LYS A 30 -5.099 -9.356 5.388 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.958 -7.451 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.797 -10.212 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.911 -10.071 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.786 -8.714 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.156 -10.183 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.062 -8.987 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.494 -7.527 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.596 -7.402 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.162 -8.890 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.112 -6.969 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.117 -7.814 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.568 -6.371 8.781 1.00 0.00 H new ATOM 472 N LYS A 31 -4.816 -8.517 8.622 1.00 0.00 N ATOM 473 CA LYS A 31 -4.296 -8.138 9.939 1.00 0.00 C ATOM 474 C LYS A 31 -3.720 -6.723 9.913 1.00 0.00 C ATOM 475 O LYS A 31 -3.963 -5.938 10.832 1.00 0.00 O ATOM 476 CB LYS A 31 -3.230 -9.136 10.392 1.00 0.00 C ATOM 477 CG LYS A 31 -3.739 -10.015 11.538 1.00 0.00 C ATOM 478 CD LYS A 31 -4.893 -10.925 11.110 1.00 0.00 C ATOM 479 CE LYS A 31 -4.421 -11.936 10.065 1.00 0.00 C ATOM 480 NZ LYS A 31 -5.533 -12.794 9.618 1.00 0.00 N ATOM 0 H LYS A 31 -4.362 -9.325 8.196 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.122 -8.155 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.937 -9.765 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.338 -8.598 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.919 -10.626 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.067 -9.380 12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.291 -11.450 11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.705 -10.324 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.997 -11.409 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.627 -12.554 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.248 -13.315 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.775 -13.469 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.362 -12.204 9.403 1.00 0.00 H new ATOM 494 N LEU A 32 -2.960 -6.387 8.869 1.00 0.00 N ATOM 495 CA LEU A 32 -2.350 -5.071 8.746 1.00 0.00 C ATOM 496 C LEU A 32 -3.424 -3.985 8.658 1.00 0.00 C ATOM 497 O LEU A 32 -3.495 -3.113 9.524 1.00 0.00 O ATOM 498 CB LEU A 32 -1.434 -5.053 7.517 1.00 0.00 C ATOM 499 CG LEU A 32 -0.221 -5.981 7.671 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.521 -6.052 6.343 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.730 -5.459 8.742 1.00 0.00 C ATOM 0 H LEU A 32 -2.754 -7.017 8.093 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.751 -4.862 9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.006 -5.351 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.088 -4.035 7.342 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.573 -6.969 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.385 -6.709 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.145 -6.443 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.856 -5.054 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.581 -6.133 8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.082 -4.466 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.208 -5.404 9.697 1.00 0.00 H new ATOM 513 N THR A 33 -4.259 -4.036 7.618 1.00 0.00 N ATOM 514 CA THR A 33 -5.329 -3.069 7.422 1.00 0.00 C ATOM 515 C THR A 33 -6.269 -2.982 8.613 1.00 0.00 C ATOM 516 O THR A 33 -6.607 -1.885 9.047 1.00 0.00 O ATOM 517 CB THR A 33 -6.139 -3.449 6.183 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.652 -4.756 6.294 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.254 -3.381 4.948 1.00 0.00 C ATOM 0 H THR A 33 -4.208 -4.750 6.891 1.00 0.00 H new ATOM 0 HA THR A 33 -4.858 -2.094 7.299 1.00 0.00 H new ATOM 0 HB THR A 33 -6.967 -2.746 6.097 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.000 -5.395 5.938 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.836 -3.653 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.870 -2.367 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.420 -4.074 5.059 1.00 0.00 H new ATOM 527 N THR A 34 -6.702 -4.123 9.153 1.00 0.00 N ATOM 528 CA THR A 34 -7.663 -4.102 10.246 1.00 0.00 C ATOM 529 C THR A 34 -7.071 -3.421 11.471 1.00 0.00 C ATOM 530 O THR A 34 -7.757 -2.616 12.097 1.00 0.00 O ATOM 531 CB THR A 34 -8.201 -5.504 10.560 1.00 0.00 C ATOM 532 OG1 THR A 34 -9.477 -5.387 11.150 1.00 0.00 O ATOM 533 CG2 THR A 34 -7.313 -6.315 11.508 1.00 0.00 C ATOM 0 H THR A 34 -6.407 -5.053 8.856 1.00 0.00 H new ATOM 0 HA THR A 34 -8.522 -3.511 9.928 1.00 0.00 H new ATOM 0 HB THR A 34 -8.231 -6.037 9.610 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.827 -6.280 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.762 -7.293 11.680 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.326 -6.442 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.217 -5.788 12.457 1.00 0.00 H new ATOM 541 N TYR A 35 -5.818 -3.721 11.833 1.00 0.00 N ATOM 542 CA TYR A 35 -5.255 -3.078 13.012 1.00 0.00 C ATOM 543 C TYR A 35 -5.040 -1.583 12.777 1.00 0.00 C ATOM 544 O TYR A 35 -5.226 -0.785 13.695 1.00 0.00 O ATOM 545 CB TYR A 35 -3.962 -3.752 13.467 1.00 0.00 C ATOM 546 CG TYR A 35 -3.503 -3.166 14.781 1.00 0.00 C ATOM 547 CD1 TYR A 35 -4.119 -3.577 15.975 1.00 0.00 C ATOM 548 CD2 TYR A 35 -2.478 -2.207 14.814 1.00 0.00 C ATOM 549 CE1 TYR A 35 -3.743 -3.001 17.196 1.00 0.00 C ATOM 550 CE2 TYR A 35 -2.095 -1.632 16.033 1.00 0.00 C ATOM 551 CZ TYR A 35 -2.735 -2.016 17.227 1.00 0.00 C ATOM 552 OH TYR A 35 -2.382 -1.438 18.411 1.00 0.00 O ATOM 0 H TYR A 35 -5.203 -4.375 11.348 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.981 -3.193 13.817 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.121 -4.825 13.575 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.188 -3.619 12.711 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.884 -4.339 15.952 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.985 -1.912 13.900 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.225 -3.311 18.112 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.308 -0.893 16.057 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.672 -0.781 18.255 1.00 0.00 H new ATOM 562 N ALA A 36 -4.651 -1.190 11.558 1.00 0.00 N ATOM 563 CA ALA A 36 -4.535 0.218 11.221 1.00 0.00 C ATOM 564 C ALA A 36 -5.879 0.914 11.426 1.00 0.00 C ATOM 565 O ALA A 36 -5.969 1.891 12.169 1.00 0.00 O ATOM 566 CB ALA A 36 -4.062 0.339 9.772 1.00 0.00 C ATOM 0 H ALA A 36 -4.415 -1.829 10.799 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.808 0.704 11.871 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.971 1.392 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.093 -0.148 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.785 -0.141 9.112 1.00 0.00 H new ATOM 572 N LEU A 37 -6.920 0.407 10.762 1.00 0.00 N ATOM 573 CA LEU A 37 -8.243 1.008 10.766 1.00 0.00 C ATOM 574 C LEU A 37 -8.947 0.872 12.120 1.00 0.00 C ATOM 575 O LEU A 37 -9.904 1.598 12.381 1.00 0.00 O ATOM 576 CB LEU A 37 -9.073 0.353 9.655 1.00 0.00 C ATOM 577 CG LEU A 37 -8.437 0.557 8.273 1.00 0.00 C ATOM 578 CD1 LEU A 37 -9.118 -0.342 7.246 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.562 2.009 7.820 1.00 0.00 C ATOM 0 H LEU A 37 -6.861 -0.443 10.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.139 2.078 10.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.172 -0.714 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.079 0.772 9.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.381 0.300 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.660 -0.190 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.003 -1.385 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.178 -0.095 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.103 2.125 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.615 2.283 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.057 2.658 8.535 1.00 0.00 H new ATOM 591 N ASP A 38 -8.493 -0.041 12.984 1.00 0.00 N ATOM 592 CA ASP A 38 -9.107 -0.257 14.287 1.00 0.00 C ATOM 593 C ASP A 38 -9.016 0.953 15.223 1.00 0.00 C ATOM 594 O ASP A 38 -9.845 1.074 16.122 1.00 0.00 O ATOM 595 CB ASP A 38 -8.464 -1.474 14.952 1.00 0.00 C ATOM 596 CG ASP A 38 -9.101 -1.786 16.301 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.270 -2.232 16.293 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.420 -1.576 17.329 1.00 0.00 O ATOM 0 H ASP A 38 -7.693 -0.646 12.796 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.169 -0.424 14.109 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.560 -2.339 14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.398 -1.293 15.087 1.00 0.00 H new ATOM 603 N HIS A 39 -8.037 1.853 15.044 1.00 0.00 N ATOM 604 CA HIS A 39 -7.890 2.969 15.978 1.00 0.00 C ATOM 605 C HIS A 39 -7.302 4.238 15.363 1.00 0.00 C ATOM 606 O HIS A 39 -7.572 5.325 15.869 1.00 0.00 O ATOM 607 CB HIS A 39 -7.023 2.496 17.147 1.00 0.00 C ATOM 608 CG HIS A 39 -6.949 3.473 18.288 1.00 0.00 C ATOM 609 ND1 HIS A 39 -8.023 4.206 18.800 1.00 0.00 N ATOM 610 CD2 HIS A 39 -5.820 3.781 18.990 1.00 0.00 C ATOM 611 CE1 HIS A 39 -7.509 4.942 19.798 1.00 0.00 C ATOM 612 NE2 HIS A 39 -6.192 4.708 19.935 1.00 0.00 N ATOM 0 H HIS A 39 -7.357 1.830 14.284 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.891 3.253 16.304 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.416 1.549 17.518 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.014 2.302 16.783 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.831 3.377 18.834 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.076 5.629 20.408 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.575 5.143 20.621 1.00 0.00 H new ATOM 620 N ILE A 40 -6.512 4.121 14.293 1.00 0.00 N ATOM 621 CA ILE A 40 -5.877 5.259 13.638 1.00 0.00 C ATOM 622 C ILE A 40 -5.247 6.214 14.658 1.00 0.00 C ATOM 623 O ILE A 40 -5.767 7.294 14.932 1.00 0.00 O ATOM 624 CB ILE A 40 -6.866 5.951 12.688 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.436 4.965 11.661 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.171 7.099 11.951 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.376 4.458 10.682 1.00 0.00 C ATOM 0 H ILE A 40 -6.296 3.225 13.856 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.052 4.897 13.025 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.687 6.340 13.290 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.878 4.117 12.184 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.238 5.449 11.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.881 7.583 11.280 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.802 7.826 12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.335 6.707 11.373 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.834 3.764 9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.951 5.301 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.586 3.948 11.233 1.00 0.00 H new ATOM 639 N ASP A 41 -4.109 5.798 15.221 1.00 0.00 N ATOM 640 CA ASP A 41 -3.374 6.565 16.222 1.00 0.00 C ATOM 641 C ASP A 41 -1.871 6.287 16.095 1.00 0.00 C ATOM 642 O ASP A 41 -1.103 6.486 17.033 1.00 0.00 O ATOM 643 CB ASP A 41 -3.895 6.195 17.613 1.00 0.00 C ATOM 644 CG ASP A 41 -3.315 7.091 18.707 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.307 8.326 18.502 1.00 0.00 O ATOM 646 OD2 ASP A 41 -2.883 6.534 19.741 1.00 0.00 O ATOM 0 H ASP A 41 -3.669 4.907 14.989 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.527 7.633 16.064 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.982 6.270 17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.646 5.156 17.827 1.00 0.00 H new ATOM 651 N ILE A 42 -1.457 5.820 14.916 1.00 0.00 N ATOM 652 CA ILE A 42 -0.109 5.335 14.649 1.00 0.00 C ATOM 653 C ILE A 42 0.261 5.626 13.195 1.00 0.00 C ATOM 654 O ILE A 42 0.934 4.838 12.539 1.00 0.00 O ATOM 655 CB ILE A 42 0.015 3.839 14.989 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.328 3.114 14.862 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.603 3.665 16.390 1.00 0.00 C ATOM 658 CD1 ILE A 42 -1.130 1.608 14.998 1.00 0.00 C ATOM 0 H ILE A 42 -2.069 5.769 14.101 1.00 0.00 H new ATOM 0 HA ILE A 42 0.597 5.861 15.291 1.00 0.00 H new ATOM 0 HB ILE A 42 0.692 3.384 14.266 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.015 3.468 15.631 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.783 3.343 13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.686 2.603 16.620 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.591 4.123 16.429 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.049 4.145 17.120 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.092 1.105 14.906 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.460 1.257 14.213 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.696 1.385 15.972 1.00 0.00 H new ATOM 670 N GLU A 43 -0.187 6.774 12.689 1.00 0.00 N ATOM 671 CA GLU A 43 -0.004 7.163 11.301 1.00 0.00 C ATOM 672 C GLU A 43 1.442 7.059 10.813 1.00 0.00 C ATOM 673 O GLU A 43 1.705 6.388 9.817 1.00 0.00 O ATOM 674 CB GLU A 43 -0.559 8.583 11.109 1.00 0.00 C ATOM 675 CG GLU A 43 0.149 9.687 11.910 1.00 0.00 C ATOM 676 CD GLU A 43 0.122 9.434 13.415 1.00 0.00 C ATOM 677 OE1 GLU A 43 -0.967 9.607 14.006 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.186 9.071 13.962 1.00 0.00 O ATOM 0 H GLU A 43 -0.693 7.465 13.243 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.556 6.454 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.504 8.835 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.614 8.581 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.184 9.764 11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.326 10.645 11.698 1.00 0.00 H new ATOM 685 N SER A 44 2.384 7.711 11.493 1.00 0.00 N ATOM 686 CA SER A 44 3.759 7.791 11.018 1.00 0.00 C ATOM 687 C SER A 44 4.520 6.491 11.231 1.00 0.00 C ATOM 688 O SER A 44 5.473 6.220 10.504 1.00 0.00 O ATOM 689 CB SER A 44 4.464 8.953 11.716 1.00 0.00 C ATOM 690 OG SER A 44 4.469 8.747 13.113 1.00 0.00 O ATOM 0 H SER A 44 2.216 8.192 12.377 1.00 0.00 H new ATOM 0 HA SER A 44 3.738 7.965 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.487 9.041 11.350 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.959 9.890 11.480 1.00 0.00 H new ATOM 0 HG SER A 44 4.924 9.495 13.552 1.00 0.00 H new ATOM 696 N LYS A 45 4.114 5.689 12.216 1.00 0.00 N ATOM 697 CA LYS A 45 4.772 4.432 12.520 1.00 0.00 C ATOM 698 C LYS A 45 4.248 3.342 11.590 1.00 0.00 C ATOM 699 O LYS A 45 5.045 2.568 11.064 1.00 0.00 O ATOM 700 CB LYS A 45 4.663 4.095 14.015 1.00 0.00 C ATOM 701 CG LYS A 45 3.423 4.611 14.743 1.00 0.00 C ATOM 702 CD LYS A 45 3.332 6.145 14.823 1.00 0.00 C ATOM 703 CE LYS A 45 2.850 6.610 16.193 1.00 0.00 C ATOM 704 NZ LYS A 45 2.669 8.074 16.215 1.00 0.00 N ATOM 0 H LYS A 45 3.320 5.898 12.821 1.00 0.00 H new ATOM 0 HA LYS A 45 5.842 4.515 12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.695 3.011 14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.544 4.492 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.535 4.231 14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.413 4.204 15.754 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.310 6.579 14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.651 6.510 14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.908 6.119 16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.571 6.317 16.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.154 8.347 17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.599 8.539 16.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.126 8.369 15.378 1.00 0.00 H new ATOM 718 N ILE A 46 2.927 3.274 11.376 1.00 0.00 N ATOM 719 CA ILE A 46 2.361 2.381 10.378 1.00 0.00 C ATOM 720 C ILE A 46 2.980 2.668 9.009 1.00 0.00 C ATOM 721 O ILE A 46 3.499 1.761 8.357 1.00 0.00 O ATOM 722 CB ILE A 46 0.835 2.551 10.333 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.222 1.822 11.533 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.228 2.002 9.038 1.00 0.00 C ATOM 725 CD1 ILE A 46 -1.302 1.953 11.559 1.00 0.00 C ATOM 0 H ILE A 46 2.238 3.829 11.884 1.00 0.00 H new ATOM 0 HA ILE A 46 2.587 1.349 10.647 1.00 0.00 H new ATOM 0 HB ILE A 46 0.613 3.617 10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.496 0.768 11.496 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.638 2.227 12.456 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.852 2.145 9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.652 2.531 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.452 0.939 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.698 1.422 12.425 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.576 3.006 11.622 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.720 1.524 10.648 1.00 0.00 H new ATOM 737 N ILE A 47 2.930 3.929 8.564 1.00 0.00 N ATOM 738 CA ILE A 47 3.414 4.285 7.238 1.00 0.00 C ATOM 739 C ILE A 47 4.918 4.075 7.117 1.00 0.00 C ATOM 740 O ILE A 47 5.362 3.467 6.147 1.00 0.00 O ATOM 741 CB ILE A 47 3.004 5.721 6.904 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.490 5.812 6.689 1.00 0.00 C ATOM 743 CG2 ILE A 47 3.717 6.202 5.644 1.00 0.00 C ATOM 744 CD1 ILE A 47 0.933 4.793 5.693 1.00 0.00 C ATOM 0 H ILE A 47 2.560 4.711 9.104 1.00 0.00 H new ATOM 0 HA ILE A 47 2.952 3.622 6.506 1.00 0.00 H new ATOM 0 HB ILE A 47 3.288 6.354 7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.990 5.676 7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.244 6.815 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.413 7.225 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.795 6.170 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.453 5.555 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.145 4.927 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.402 4.941 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.144 3.784 6.048 1.00 0.00 H new ATOM 756 N SER A 48 5.707 4.563 8.078 1.00 0.00 N ATOM 757 CA SER A 48 7.146 4.359 8.010 1.00 0.00 C ATOM 758 C SER A 48 7.462 2.870 7.913 1.00 0.00 C ATOM 759 O SER A 48 8.354 2.475 7.163 1.00 0.00 O ATOM 760 CB SER A 48 7.816 4.965 9.243 1.00 0.00 C ATOM 761 OG SER A 48 9.219 4.788 9.177 1.00 0.00 O ATOM 0 H SER A 48 5.380 5.088 8.889 1.00 0.00 H new ATOM 0 HA SER A 48 7.533 4.855 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.579 6.027 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.425 4.495 10.145 1.00 0.00 H new ATOM 0 HG SER A 48 9.636 5.182 9.972 1.00 0.00 H new ATOM 767 N LEU A 49 6.736 2.036 8.666 1.00 0.00 N ATOM 768 CA LEU A 49 7.004 0.609 8.695 1.00 0.00 C ATOM 769 C LEU A 49 6.668 -0.082 7.369 1.00 0.00 C ATOM 770 O LEU A 49 7.436 -0.937 6.929 1.00 0.00 O ATOM 771 CB LEU A 49 6.236 -0.010 9.866 1.00 0.00 C ATOM 772 CG LEU A 49 6.501 -1.511 10.008 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.986 -1.813 10.198 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.740 -2.042 11.221 1.00 0.00 C ATOM 0 H LEU A 49 5.961 2.332 9.260 1.00 0.00 H new ATOM 0 HA LEU A 49 8.074 0.458 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.518 0.495 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.168 0.156 9.725 1.00 0.00 H new ATOM 0 HG LEU A 49 6.167 -1.995 9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.129 -2.889 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.545 -1.449 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.346 -1.317 11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.925 -3.111 11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.079 -1.524 12.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.672 -1.870 11.084 1.00 0.00 H new ATOM 786 N ILE A 50 5.550 0.259 6.717 1.00 0.00 N ATOM 787 CA ILE A 50 5.213 -0.408 5.459 1.00 0.00 C ATOM 788 C ILE A 50 6.090 0.076 4.304 1.00 0.00 C ATOM 789 O ILE A 50 6.434 -0.707 3.419 1.00 0.00 O ATOM 790 CB ILE A 50 3.723 -0.256 5.119 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.364 1.215 4.895 1.00 0.00 C ATOM 792 CG2 ILE A 50 2.877 -0.890 6.225 1.00 0.00 C ATOM 793 CD1 ILE A 50 1.904 1.398 4.499 1.00 0.00 C ATOM 0 H ILE A 50 4.885 0.968 7.027 1.00 0.00 H new ATOM 0 HA ILE A 50 5.415 -1.469 5.602 1.00 0.00 H new ATOM 0 HB ILE A 50 3.510 -0.779 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.565 1.779 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.004 1.629 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.820 -0.781 5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.123 -1.949 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.085 -0.393 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.697 2.458 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.708 0.857 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.261 1.010 5.289 1.00 0.00 H new ATOM 805 N ILE A 51 6.462 1.359 4.296 1.00 0.00 N ATOM 806 CA ILE A 51 7.341 1.886 3.261 1.00 0.00 C ATOM 807 C ILE A 51 8.693 1.192 3.368 1.00 0.00 C ATOM 808 O ILE A 51 9.232 0.677 2.389 1.00 0.00 O ATOM 809 CB ILE A 51 7.521 3.392 3.456 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.200 4.119 3.200 1.00 0.00 C ATOM 811 CG2 ILE A 51 8.606 3.923 2.513 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.301 5.565 3.675 1.00 0.00 C ATOM 0 H ILE A 51 6.168 2.044 4.992 1.00 0.00 H new ATOM 0 HA ILE A 51 6.906 1.705 2.278 1.00 0.00 H new ATOM 0 HB ILE A 51 7.830 3.576 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.961 4.092 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.389 3.612 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.724 4.996 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.550 3.421 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.317 3.730 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.356 6.076 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.519 5.583 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.100 6.071 3.133 1.00 0.00 H new ATOM 824 N ASP A 52 9.236 1.185 4.586 1.00 0.00 N ATOM 825 CA ASP A 52 10.501 0.537 4.878 1.00 0.00 C ATOM 826 C ASP A 52 10.444 -0.949 4.521 1.00 0.00 C ATOM 827 O ASP A 52 11.381 -1.487 3.933 1.00 0.00 O ATOM 828 CB ASP A 52 10.794 0.737 6.362 1.00 0.00 C ATOM 829 CG ASP A 52 12.208 0.302 6.732 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.150 0.762 6.047 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.332 -0.485 7.696 1.00 0.00 O ATOM 0 H ASP A 52 8.804 1.632 5.395 1.00 0.00 H new ATOM 0 HA ASP A 52 11.299 0.976 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.660 1.788 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.075 0.170 6.953 1.00 0.00 H new ATOM 836 N TYR A 53 9.341 -1.615 4.875 1.00 0.00 N ATOM 837 CA TYR A 53 9.143 -3.013 4.534 1.00 0.00 C ATOM 838 C TYR A 53 9.256 -3.209 3.023 1.00 0.00 C ATOM 839 O TYR A 53 9.859 -4.179 2.566 1.00 0.00 O ATOM 840 CB TYR A 53 7.767 -3.467 5.025 1.00 0.00 C ATOM 841 CG TYR A 53 7.296 -4.754 4.385 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.973 -5.961 4.627 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.178 -4.733 3.541 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.539 -7.144 4.010 1.00 0.00 C ATOM 845 CE2 TYR A 53 5.734 -5.912 2.929 1.00 0.00 C ATOM 846 CZ TYR A 53 6.415 -7.121 3.157 1.00 0.00 C ATOM 847 OH TYR A 53 5.990 -8.267 2.554 1.00 0.00 O ATOM 0 H TYR A 53 8.572 -1.199 5.400 1.00 0.00 H new ATOM 0 HA TYR A 53 9.913 -3.614 5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.800 -3.599 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.039 -2.681 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.827 -5.978 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.657 -3.804 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.064 -8.071 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.869 -5.893 2.282 1.00 0.00 H new ATOM 0 HH TYR A 53 6.763 -8.764 2.215 1.00 0.00 H new ATOM 857 N SER A 54 8.677 -2.288 2.249 1.00 0.00 N ATOM 858 CA SER A 54 8.711 -2.373 0.799 1.00 0.00 C ATOM 859 C SER A 54 10.127 -2.248 0.250 1.00 0.00 C ATOM 860 O SER A 54 10.573 -3.109 -0.505 1.00 0.00 O ATOM 861 CB SER A 54 7.821 -1.284 0.201 1.00 0.00 C ATOM 862 OG SER A 54 7.733 -1.459 -1.197 1.00 0.00 O ATOM 0 H SER A 54 8.179 -1.474 2.610 1.00 0.00 H new ATOM 0 HA SER A 54 8.338 -3.357 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.827 -1.327 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.230 -0.300 0.429 1.00 0.00 H new ATOM 0 HG SER A 54 7.041 -0.866 -1.558 1.00 0.00 H new ATOM 868 N ARG A 55 10.839 -1.178 0.623 1.00 0.00 N ATOM 869 CA ARG A 55 12.144 -0.896 0.040 1.00 0.00 C ATOM 870 C ARG A 55 13.224 -1.878 0.494 1.00 0.00 C ATOM 871 O ARG A 55 14.220 -2.050 -0.209 1.00 0.00 O ATOM 872 CB ARG A 55 12.511 0.568 0.299 1.00 0.00 C ATOM 873 CG ARG A 55 12.776 0.905 1.769 1.00 0.00 C ATOM 874 CD ARG A 55 14.239 0.669 2.148 1.00 0.00 C ATOM 875 NE ARG A 55 14.473 0.987 3.560 1.00 0.00 N ATOM 876 CZ ARG A 55 15.610 1.475 4.058 1.00 0.00 C ATOM 877 NH1 ARG A 55 16.655 1.733 3.277 1.00 0.00 N ATOM 878 NH2 ARG A 55 15.695 1.709 5.365 1.00 0.00 N ATOM 0 H ARG A 55 10.531 -0.501 1.321 1.00 0.00 H new ATOM 0 HA ARG A 55 12.081 -1.045 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.399 0.815 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.703 1.202 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.515 1.947 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.133 0.296 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.505 -0.371 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.885 1.284 1.521 1.00 0.00 H new ATOM 0 HE ARG A 55 13.706 0.822 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.597 1.558 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.514 2.106 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.898 1.515 5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.558 2.082 5.761 1.00 0.00 H new ATOM 892 N LEU A 56 13.047 -2.522 1.652 1.00 0.00 N ATOM 893 CA LEU A 56 14.026 -3.474 2.159 1.00 0.00 C ATOM 894 C LEU A 56 13.900 -4.881 1.573 1.00 0.00 C ATOM 895 O LEU A 56 14.840 -5.665 1.701 1.00 0.00 O ATOM 896 CB LEU A 56 13.889 -3.575 3.678 1.00 0.00 C ATOM 897 CG LEU A 56 14.417 -2.348 4.425 1.00 0.00 C ATOM 898 CD1 LEU A 56 14.219 -2.578 5.921 1.00 0.00 C ATOM 899 CD2 LEU A 56 15.907 -2.129 4.162 1.00 0.00 C ATOM 0 H LEU A 56 12.232 -2.397 2.253 1.00 0.00 H new ATOM 0 HA LEU A 56 15.000 -3.090 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.839 -3.719 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.424 -4.459 4.025 1.00 0.00 H new ATOM 0 HG LEU A 56 13.874 -1.469 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.589 -1.715 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.158 -2.716 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.768 -3.468 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.247 -1.249 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.468 -3.002 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.070 -1.979 3.095 1.00 0.00 H new ATOM 911 N CYS A 57 12.776 -5.220 0.938 1.00 0.00 N ATOM 912 CA CYS A 57 12.510 -6.606 0.567 1.00 0.00 C ATOM 913 C CYS A 57 12.364 -6.854 -0.944 1.00 0.00 C ATOM 914 O CYS A 57 12.089 -5.927 -1.704 1.00 0.00 O ATOM 915 CB CYS A 57 11.286 -7.080 1.347 1.00 0.00 C ATOM 916 SG CYS A 57 11.636 -6.992 3.124 1.00 0.00 S ATOM 0 H CYS A 57 12.045 -4.560 0.674 1.00 0.00 H new ATOM 0 HA CYS A 57 13.388 -7.194 0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.423 -6.460 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.034 -8.102 1.065 1.00 0.00 H new ATOM 0 HG CYS A 57 11.078 -5.930 3.624 1.00 0.00 H new ATOM 922 N PRO A 58 12.551 -8.118 -1.372 1.00 0.00 N ATOM 923 CA PRO A 58 12.477 -8.591 -2.760 1.00 0.00 C ATOM 924 C PRO A 58 11.146 -8.375 -3.488 1.00 0.00 C ATOM 925 O PRO A 58 10.241 -7.701 -3.004 1.00 0.00 O ATOM 926 CB PRO A 58 12.784 -10.090 -2.695 1.00 0.00 C ATOM 927 CG PRO A 58 13.569 -10.253 -1.400 1.00 0.00 C ATOM 928 CD PRO A 58 12.893 -9.230 -0.497 1.00 0.00 C ATOM 0 HA PRO A 58 13.183 -8.002 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 58 11.870 -10.684 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.366 -10.415 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.494 -11.264 -1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.630 -10.042 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.004 -9.648 -0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.559 -8.910 0.304 1.00 0.00 H new ATOM 936 N ASP A 59 11.055 -8.974 -4.683 1.00 0.00 N ATOM 937 CA ASP A 59 9.954 -8.861 -5.634 1.00 0.00 C ATOM 938 C ASP A 59 8.563 -9.034 -5.025 1.00 0.00 C ATOM 939 O ASP A 59 7.727 -8.132 -5.120 1.00 0.00 O ATOM 940 CB ASP A 59 10.174 -9.938 -6.702 1.00 0.00 C ATOM 941 CG ASP A 59 8.957 -10.139 -7.603 1.00 0.00 C ATOM 942 OD1 ASP A 59 8.536 -9.146 -8.231 1.00 0.00 O ATOM 943 OD2 ASP A 59 8.462 -11.286 -7.653 1.00 0.00 O ATOM 0 H ASP A 59 11.795 -9.586 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 59 9.968 -7.847 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.033 -9.664 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.418 -10.882 -6.214 1.00 0.00 H new ATOM 948 N SER A 60 8.312 -10.189 -4.402 1.00 0.00 N ATOM 949 CA SER A 60 7.009 -10.481 -3.824 1.00 0.00 C ATOM 950 C SER A 60 6.640 -9.440 -2.779 1.00 0.00 C ATOM 951 O SER A 60 5.463 -9.249 -2.480 1.00 0.00 O ATOM 952 CB SER A 60 7.024 -11.864 -3.177 1.00 0.00 C ATOM 953 OG SER A 60 8.165 -12.001 -2.356 1.00 0.00 O ATOM 0 H SER A 60 8.999 -10.934 -4.288 1.00 0.00 H new ATOM 0 HA SER A 60 6.268 -10.458 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.120 -12.007 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.026 -12.635 -3.947 1.00 0.00 H new ATOM 0 HG SER A 60 8.166 -12.890 -1.943 1.00 0.00 H new ATOM 959 N HIS A 61 7.647 -8.765 -2.221 1.00 0.00 N ATOM 960 CA HIS A 61 7.413 -7.775 -1.192 1.00 0.00 C ATOM 961 C HIS A 61 7.173 -6.396 -1.804 1.00 0.00 C ATOM 962 O HIS A 61 6.481 -5.589 -1.188 1.00 0.00 O ATOM 963 CB HIS A 61 8.579 -7.783 -0.203 1.00 0.00 C ATOM 964 CG HIS A 61 8.856 -9.161 0.343 1.00 0.00 C ATOM 965 ND1 HIS A 61 8.461 -9.634 1.597 1.00 0.00 N ATOM 966 CD2 HIS A 61 9.534 -10.148 -0.315 1.00 0.00 C ATOM 967 CE1 HIS A 61 8.909 -10.899 1.652 1.00 0.00 C ATOM 968 NE2 HIS A 61 9.557 -11.231 0.525 1.00 0.00 N ATOM 0 H HIS A 61 8.628 -8.892 -2.470 1.00 0.00 H new ATOM 0 HA HIS A 61 6.506 -8.027 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.474 -7.403 -0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.358 -7.105 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.967 -10.087 -1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.766 -11.562 2.493 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.991 -12.133 0.328 1.00 0.00 H new ATOM 976 N LYS A 62 7.716 -6.096 -2.994 1.00 0.00 N ATOM 977 CA LYS A 62 7.380 -4.858 -3.683 1.00 0.00 C ATOM 978 C LYS A 62 5.913 -4.922 -4.089 1.00 0.00 C ATOM 979 O LYS A 62 5.168 -3.966 -3.882 1.00 0.00 O ATOM 980 CB LYS A 62 8.291 -4.671 -4.907 1.00 0.00 C ATOM 981 CG LYS A 62 9.763 -4.506 -4.515 1.00 0.00 C ATOM 982 CD LYS A 62 10.001 -3.185 -3.781 1.00 0.00 C ATOM 983 CE LYS A 62 11.465 -3.051 -3.355 1.00 0.00 C ATOM 984 NZ LYS A 62 12.380 -3.056 -4.515 1.00 0.00 N ATOM 0 H LYS A 62 8.381 -6.691 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 62 7.535 -4.001 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.188 -5.531 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.966 -3.795 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.067 -5.337 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.386 -4.545 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.729 -2.351 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.357 -3.131 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.596 -2.126 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.724 -3.871 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.326 -2.746 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.439 -4.018 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.020 -2.407 -5.244 1.00 0.00 H new ATOM 998 N LEU A 63 5.496 -6.055 -4.669 1.00 0.00 N ATOM 999 CA LEU A 63 4.105 -6.236 -5.062 1.00 0.00 C ATOM 1000 C LEU A 63 3.208 -6.265 -3.824 1.00 0.00 C ATOM 1001 O LEU A 63 2.189 -5.573 -3.765 1.00 0.00 O ATOM 1002 CB LEU A 63 3.993 -7.534 -5.868 1.00 0.00 C ATOM 1003 CG LEU A 63 2.564 -7.793 -6.355 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.095 -6.694 -7.306 1.00 0.00 C ATOM 1005 CD2 LEU A 63 2.522 -9.131 -7.089 1.00 0.00 C ATOM 0 H LEU A 63 6.101 -6.850 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 63 3.774 -5.404 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.664 -7.486 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.322 -8.371 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 63 1.904 -7.807 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.077 -6.906 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.117 -5.733 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.755 -6.657 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.508 -9.322 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.200 -9.100 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.828 -9.928 -6.411 1.00 0.00 H new ATOM 1017 N GLY A 64 3.592 -7.072 -2.831 1.00 0.00 N ATOM 1018 CA GLY A 64 2.830 -7.195 -1.600 1.00 0.00 C ATOM 1019 C GLY A 64 2.700 -5.849 -0.900 1.00 0.00 C ATOM 1020 O GLY A 64 1.638 -5.533 -0.370 1.00 0.00 O ATOM 0 H GLY A 64 4.432 -7.650 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.839 -7.591 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.318 -7.908 -0.936 1.00 0.00 H new ATOM 1024 N SER A 65 3.771 -5.048 -0.890 1.00 0.00 N ATOM 1025 CA SER A 65 3.719 -3.736 -0.270 1.00 0.00 C ATOM 1026 C SER A 65 2.764 -2.828 -1.023 1.00 0.00 C ATOM 1027 O SER A 65 1.991 -2.121 -0.390 1.00 0.00 O ATOM 1028 CB SER A 65 5.100 -3.095 -0.221 1.00 0.00 C ATOM 1029 OG SER A 65 5.935 -3.836 0.635 1.00 0.00 O ATOM 0 H SER A 65 4.672 -5.289 -1.302 1.00 0.00 H new ATOM 0 HA SER A 65 3.360 -3.868 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.530 -3.057 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.022 -2.066 0.131 1.00 0.00 H new ATOM 0 HG SER A 65 6.441 -4.492 0.111 1.00 0.00 H new ATOM 1035 N LEU A 66 2.794 -2.826 -2.358 1.00 0.00 N ATOM 1036 CA LEU A 66 1.858 -1.998 -3.102 1.00 0.00 C ATOM 1037 C LEU A 66 0.416 -2.383 -2.780 1.00 0.00 C ATOM 1038 O LEU A 66 -0.447 -1.509 -2.737 1.00 0.00 O ATOM 1039 CB LEU A 66 2.133 -2.095 -4.604 1.00 0.00 C ATOM 1040 CG LEU A 66 3.435 -1.391 -5.003 1.00 0.00 C ATOM 1041 CD1 LEU A 66 3.655 -1.582 -6.501 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.381 0.110 -4.710 1.00 0.00 C ATOM 0 H LEU A 66 3.439 -3.374 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 66 2.000 -0.961 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.186 -3.144 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.301 -1.654 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 66 4.248 -1.826 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.579 -1.086 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.726 -2.646 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.818 -1.150 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.322 0.573 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.562 0.561 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.220 0.267 -3.643 1.00 0.00 H new ATOM 1054 N TYR A 67 0.134 -3.671 -2.555 1.00 0.00 N ATOM 1055 CA TYR A 67 -1.222 -4.084 -2.204 1.00 0.00 C ATOM 1056 C TYR A 67 -1.570 -3.692 -0.758 1.00 0.00 C ATOM 1057 O TYR A 67 -2.716 -3.343 -0.478 1.00 0.00 O ATOM 1058 CB TYR A 67 -1.404 -5.588 -2.461 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.653 -5.961 -3.917 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.906 -5.357 -4.944 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.634 -6.912 -4.240 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -1.149 -5.687 -6.285 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.876 -7.251 -5.580 1.00 0.00 C ATOM 1064 CZ TYR A 67 -2.138 -6.638 -6.608 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.378 -6.957 -7.911 1.00 0.00 O ATOM 0 H TYR A 67 0.814 -4.429 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.925 -3.553 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.514 -6.112 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.240 -5.947 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.141 -4.635 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.205 -7.384 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.579 -5.213 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.631 -7.984 -5.822 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.553 -6.854 -8.430 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.607 -3.739 0.169 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.843 -3.328 1.552 1.00 0.00 C ATOM 1077 C ILE A 68 -1.028 -1.814 1.618 1.00 0.00 C ATOM 1078 O ILE A 68 -1.971 -1.326 2.243 1.00 0.00 O ATOM 1079 CB ILE A 68 0.329 -3.782 2.436 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.344 -5.311 2.527 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.211 -3.184 3.843 1.00 0.00 C ATOM 1082 CD1 ILE A 68 1.703 -5.813 3.010 1.00 0.00 C ATOM 0 H ILE A 68 0.344 -4.059 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.753 -3.799 1.923 1.00 0.00 H new ATOM 0 HB ILE A 68 1.258 -3.432 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.436 -5.647 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.119 -5.740 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.051 -3.518 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.220 -2.096 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.722 -3.512 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.690 -6.901 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.477 -5.496 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.913 -5.401 3.997 1.00 0.00 H new ATOM 1094 N ILE A 69 -0.120 -1.080 0.969 1.00 0.00 N ATOM 1095 CA ILE A 69 -0.147 0.371 0.887 1.00 0.00 C ATOM 1096 C ILE A 69 -1.451 0.811 0.236 1.00 0.00 C ATOM 1097 O ILE A 69 -2.032 1.817 0.644 1.00 0.00 O ATOM 1098 CB ILE A 69 1.064 0.851 0.073 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.361 0.604 0.855 1.00 0.00 C ATOM 1100 CG2 ILE A 69 0.941 2.345 -0.237 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.587 0.707 -0.051 1.00 0.00 C ATOM 0 H ILE A 69 0.671 -1.495 0.476 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.092 0.810 1.883 1.00 0.00 H new ATOM 0 HB ILE A 69 1.090 0.290 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.443 1.329 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.328 -0.384 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.807 2.669 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.033 2.523 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.895 2.908 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.488 0.527 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.516 -0.036 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.633 1.704 -0.490 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.918 0.069 -0.773 1.00 0.00 N ATOM 1114 CA ASP A 70 -3.186 0.383 -1.404 1.00 0.00 C ATOM 1115 C ASP A 70 -4.344 0.170 -0.441 1.00 0.00 C ATOM 1116 O ASP A 70 -5.201 1.040 -0.351 1.00 0.00 O ATOM 1117 CB ASP A 70 -3.399 -0.477 -2.643 1.00 0.00 C ATOM 1118 CG ASP A 70 -4.814 -0.248 -3.168 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.997 0.728 -3.928 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -5.702 -1.048 -2.805 1.00 0.00 O ATOM 0 H ASP A 70 -1.437 -0.743 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.155 1.433 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.667 -0.222 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.253 -1.530 -2.401 1.00 0.00 H new ATOM 1125 N SER A 71 -4.392 -0.959 0.276 1.00 0.00 N ATOM 1126 CA SER A 71 -5.537 -1.227 1.134 1.00 0.00 C ATOM 1127 C SER A 71 -5.656 -0.172 2.226 1.00 0.00 C ATOM 1128 O SER A 71 -6.719 0.429 2.394 1.00 0.00 O ATOM 1129 CB SER A 71 -5.454 -2.627 1.739 1.00 0.00 C ATOM 1130 OG SER A 71 -6.742 -2.983 2.195 1.00 0.00 O ATOM 0 H SER A 71 -3.670 -1.680 0.277 1.00 0.00 H new ATOM 0 HA SER A 71 -6.435 -1.180 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.102 -3.343 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.740 -2.644 2.562 1.00 0.00 H new ATOM 0 HG SER A 71 -7.038 -2.340 2.873 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.571 0.056 2.970 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.569 1.068 4.012 1.00 0.00 C ATOM 1138 C ILE A 72 -4.771 2.447 3.383 1.00 0.00 C ATOM 1139 O ILE A 72 -5.409 3.308 3.980 1.00 0.00 O ATOM 1140 CB ILE A 72 -3.259 0.975 4.807 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -3.138 -0.427 5.419 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -3.240 2.032 5.913 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.909 -0.582 6.312 1.00 0.00 C ATOM 0 H ILE A 72 -3.690 -0.447 2.866 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.391 0.903 4.709 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.416 1.154 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.034 -0.642 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.094 -1.165 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.307 1.958 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.320 3.024 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.080 1.868 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.878 -1.594 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.008 -0.397 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.962 0.134 7.132 1.00 0.00 H new ATOM 1155 N GLY A 73 -4.231 2.662 2.181 1.00 0.00 N ATOM 1156 CA GLY A 73 -4.328 3.940 1.493 1.00 0.00 C ATOM 1157 C GLY A 73 -5.760 4.285 1.092 1.00 0.00 C ATOM 1158 O GLY A 73 -6.230 5.380 1.392 1.00 0.00 O ATOM 0 H GLY A 73 -3.715 1.951 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.936 4.726 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.701 3.917 0.602 1.00 0.00 H new ATOM 1162 N ARG A 74 -6.461 3.368 0.418 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.822 3.618 -0.046 1.00 0.00 C ATOM 1164 C ARG A 74 -8.784 3.641 1.133 1.00 0.00 C ATOM 1165 O ARG A 74 -9.772 4.372 1.101 1.00 0.00 O ATOM 1166 CB ARG A 74 -8.220 2.589 -1.112 1.00 0.00 C ATOM 1167 CG ARG A 74 -8.389 1.165 -0.578 1.00 0.00 C ATOM 1168 CD ARG A 74 -8.623 0.267 -1.794 1.00 0.00 C ATOM 1169 NE ARG A 74 -8.773 -1.177 -1.526 1.00 0.00 N ATOM 1170 CZ ARG A 74 -8.888 -1.829 -0.359 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -8.854 -1.217 0.824 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -9.041 -3.149 -0.382 1.00 0.00 N ATOM 0 H ARG A 74 -6.103 2.442 0.183 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.871 4.599 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.155 2.905 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.463 2.583 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.502 0.850 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.230 1.108 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.520 0.614 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.789 0.402 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.792 -1.770 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.736 -0.205 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.946 -1.761 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.069 -3.644 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.131 -3.667 0.492 1.00 0.00 H new ATOM 1186 N ALA A 75 -8.500 2.848 2.168 1.00 0.00 N ATOM 1187 CA ALA A 75 -9.318 2.853 3.366 1.00 0.00 C ATOM 1188 C ALA A 75 -9.152 4.180 4.113 1.00 0.00 C ATOM 1189 O ALA A 75 -10.142 4.770 4.546 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.927 1.657 4.229 1.00 0.00 C ATOM 0 H ALA A 75 -7.713 2.200 2.194 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.373 2.763 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.534 1.647 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.093 0.736 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.874 1.732 4.499 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.910 4.651 4.264 1.00 0.00 N ATOM 1197 CA TYR A 76 -7.642 5.936 4.893 1.00 0.00 C ATOM 1198 C TYR A 76 -8.290 7.056 4.094 1.00 0.00 C ATOM 1199 O TYR A 76 -8.988 7.894 4.662 1.00 0.00 O ATOM 1200 CB TYR A 76 -6.135 6.199 4.949 1.00 0.00 C ATOM 1201 CG TYR A 76 -5.353 5.509 6.047 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.912 4.482 6.824 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -4.034 5.923 6.285 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -5.159 3.883 7.845 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -3.274 5.333 7.307 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.842 4.318 8.098 1.00 0.00 C ATOM 1207 OH TYR A 76 -3.112 3.761 9.104 1.00 0.00 O ATOM 0 H TYR A 76 -7.074 4.154 3.955 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.052 5.908 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.705 5.905 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.983 7.274 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.923 4.153 6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.600 6.702 5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.588 3.088 8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.259 5.656 7.485 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.226 4.179 9.136 1.00 0.00 H new ATOM 1217 N LEU A 77 -8.054 7.065 2.778 1.00 0.00 N ATOM 1218 CA LEU A 77 -8.505 8.134 1.906 1.00 0.00 C ATOM 1219 C LEU A 77 -10.025 8.251 1.929 1.00 0.00 C ATOM 1220 O LEU A 77 -10.553 9.358 1.999 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.977 7.870 0.494 1.00 0.00 C ATOM 1222 CG LEU A 77 -8.339 8.985 -0.492 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.847 10.350 -0.013 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.680 8.685 -1.837 1.00 0.00 C ATOM 0 H LEU A 77 -7.543 6.326 2.295 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.114 9.089 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.893 7.761 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.380 6.925 0.131 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.425 9.019 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.124 11.113 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.303 10.584 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.763 10.329 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.930 9.472 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.598 8.641 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.041 7.728 -2.213 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.736 7.121 1.870 1.00 0.00 N ATOM 1237 CA ASP A 78 -12.187 7.150 1.920 1.00 0.00 C ATOM 1238 C ASP A 78 -12.665 7.616 3.294 1.00 0.00 C ATOM 1239 O ASP A 78 -13.564 8.452 3.385 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.732 5.754 1.630 1.00 0.00 C ATOM 1241 CG ASP A 78 -14.254 5.780 1.515 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.745 6.260 0.467 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.914 5.320 2.474 1.00 0.00 O ATOM 0 H ASP A 78 -10.330 6.189 1.789 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.553 7.850 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.299 5.375 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.434 5.070 2.425 1.00 0.00 H new ATOM 1248 N GLU A 79 -12.066 7.078 4.360 1.00 0.00 N ATOM 1249 CA GLU A 79 -12.509 7.378 5.711 1.00 0.00 C ATOM 1250 C GLU A 79 -12.309 8.852 6.051 1.00 0.00 C ATOM 1251 O GLU A 79 -13.165 9.450 6.702 1.00 0.00 O ATOM 1252 CB GLU A 79 -11.762 6.480 6.701 1.00 0.00 C ATOM 1253 CG GLU A 79 -12.287 6.693 8.120 1.00 0.00 C ATOM 1254 CD GLU A 79 -11.611 5.737 9.101 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -12.148 4.623 9.289 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -10.561 6.128 9.658 1.00 0.00 O ATOM 0 H GLU A 79 -11.276 6.435 4.307 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.578 7.178 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.883 5.435 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.695 6.699 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.107 7.723 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.366 6.538 8.140 1.00 0.00 H new ATOM 1263 N THR A 80 -11.193 9.450 5.622 1.00 0.00 N ATOM 1264 CA THR A 80 -10.933 10.850 5.929 1.00 0.00 C ATOM 1265 C THR A 80 -11.687 11.777 4.976 1.00 0.00 C ATOM 1266 O THR A 80 -12.109 12.857 5.386 1.00 0.00 O ATOM 1267 CB THR A 80 -9.425 11.128 5.961 1.00 0.00 C ATOM 1268 OG1 THR A 80 -9.207 12.411 6.499 1.00 0.00 O ATOM 1269 CG2 THR A 80 -8.776 11.069 4.580 1.00 0.00 C ATOM 0 H THR A 80 -10.469 8.991 5.070 1.00 0.00 H new ATOM 0 HA THR A 80 -11.315 11.063 6.927 1.00 0.00 H new ATOM 0 HB THR A 80 -8.970 10.349 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.391 12.793 6.114 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.709 11.274 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.920 10.077 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.235 11.814 3.930 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.866 11.380 3.710 1.00 0.00 N ATOM 1278 CA ARG A 81 -12.631 12.180 2.757 1.00 0.00 C ATOM 1279 C ARG A 81 -14.103 12.223 3.159 1.00 0.00 C ATOM 1280 O ARG A 81 -14.798 13.196 2.874 1.00 0.00 O ATOM 1281 CB ARG A 81 -12.450 11.595 1.355 1.00 0.00 C ATOM 1282 CG ARG A 81 -13.181 12.424 0.299 1.00 0.00 C ATOM 1283 CD ARG A 81 -12.920 11.832 -1.085 1.00 0.00 C ATOM 1284 NE ARG A 81 -13.625 12.587 -2.129 1.00 0.00 N ATOM 1285 CZ ARG A 81 -13.133 13.666 -2.746 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -11.925 14.136 -2.441 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -13.853 14.284 -3.678 1.00 0.00 N ATOM 0 H ARG A 81 -11.491 10.512 3.327 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.264 13.206 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.388 11.552 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.823 10.571 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.251 12.434 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.840 13.459 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.849 11.837 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.243 10.791 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.554 12.266 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.362 13.672 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.563 14.960 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.780 13.935 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.478 15.107 -4.149 1.00 0.00 H new ATOM 1441 N THR A 93 -2.618 12.115 11.728 1.00 0.00 N ATOM 1442 CA THR A 93 -3.361 10.876 11.523 1.00 0.00 C ATOM 1443 C THR A 93 -3.341 10.388 10.069 1.00 0.00 C ATOM 1444 O THR A 93 -2.458 10.765 9.301 1.00 0.00 O ATOM 1445 CB THR A 93 -4.773 10.986 12.114 1.00 0.00 C ATOM 1446 OG1 THR A 93 -5.110 12.303 12.496 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.798 10.103 13.360 1.00 0.00 C ATOM 0 HA THR A 93 -2.843 10.091 12.073 1.00 0.00 H new ATOM 0 HB THR A 93 -5.493 10.680 11.355 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.332 12.887 12.379 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.786 10.148 13.818 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.574 9.073 13.081 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.052 10.457 14.071 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.311 9.547 9.683 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.368 8.918 8.371 1.00 0.00 C ATOM 1457 C CYS A 94 -4.222 9.903 7.208 1.00 0.00 C ATOM 1458 O CYS A 94 -3.707 9.531 6.155 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.691 8.156 8.260 1.00 0.00 C ATOM 1460 SG CYS A 94 -7.084 9.273 8.564 1.00 0.00 S ATOM 0 H CYS A 94 -5.088 9.285 10.290 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.516 8.243 8.291 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.781 7.712 7.269 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.709 7.337 8.979 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.199 8.613 8.464 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.662 11.153 7.368 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.483 12.150 6.324 1.00 0.00 C ATOM 1468 C ALA A 95 -2.993 12.430 6.116 1.00 0.00 C ATOM 1469 O ALA A 95 -2.506 12.504 4.987 1.00 0.00 O ATOM 1470 CB ALA A 95 -5.236 13.413 6.735 1.00 0.00 C ATOM 0 H ALA A 95 -5.139 11.491 8.203 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.881 11.788 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.115 14.175 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.295 13.183 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.836 13.784 7.679 1.00 0.00 H new ATOM 1476 N HIS A 96 -2.264 12.586 7.223 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.827 12.812 7.192 1.00 0.00 C ATOM 1478 C HIS A 96 -0.117 11.564 6.695 1.00 0.00 C ATOM 1479 O HIS A 96 0.941 11.643 6.076 1.00 0.00 O ATOM 1480 CB HIS A 96 -0.352 13.125 8.608 1.00 0.00 C ATOM 1481 CG HIS A 96 1.022 13.736 8.652 1.00 0.00 C ATOM 1482 ND1 HIS A 96 2.111 13.223 9.359 1.00 0.00 N ATOM 1483 CD2 HIS A 96 1.399 14.879 8.007 1.00 0.00 C ATOM 1484 CE1 HIS A 96 3.123 14.071 9.117 1.00 0.00 C ATOM 1485 NE2 HIS A 96 2.726 15.073 8.312 1.00 0.00 N ATOM 0 H HIS A 96 -2.658 12.558 8.163 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.602 13.642 6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.060 13.806 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.353 12.207 9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.779 15.505 7.382 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.121 13.963 9.515 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.309 15.844 7.984 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.710 10.406 6.972 1.00 0.00 N ATOM 1494 CA ALA A 97 -0.172 9.124 6.575 1.00 0.00 C ATOM 1495 C ALA A 97 -0.152 9.011 5.054 1.00 0.00 C ATOM 1496 O ALA A 97 0.846 8.585 4.472 1.00 0.00 O ATOM 1497 CB ALA A 97 -1.053 8.060 7.216 1.00 0.00 C ATOM 0 H ALA A 97 -1.589 10.339 7.485 1.00 0.00 H new ATOM 0 HA ALA A 97 0.859 8.999 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.685 7.071 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.028 8.171 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.078 8.175 6.863 1.00 0.00 H new ATOM 1503 N ILE A 98 -1.256 9.394 4.404 1.00 0.00 N ATOM 1504 CA ILE A 98 -1.317 9.429 2.949 1.00 0.00 C ATOM 1505 C ILE A 98 -0.330 10.472 2.435 1.00 0.00 C ATOM 1506 O ILE A 98 0.371 10.230 1.453 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.744 9.765 2.506 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.699 8.645 2.943 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.807 9.942 0.986 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -5.156 9.042 2.712 1.00 0.00 C ATOM 0 H ILE A 98 -2.117 9.683 4.868 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.048 8.456 2.537 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.046 10.701 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.475 7.734 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.543 8.421 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.828 10.180 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.144 10.753 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.494 9.019 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.809 8.230 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.385 9.939 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.315 9.241 1.652 1.00 0.00 H new ATOM 1522 N ASN A 99 -0.267 11.635 3.092 1.00 0.00 N ATOM 1523 CA ASN A 99 0.667 12.676 2.695 1.00 0.00 C ATOM 1524 C ASN A 99 2.111 12.178 2.802 1.00 0.00 C ATOM 1525 O ASN A 99 2.964 12.574 2.009 1.00 0.00 O ATOM 1526 CB ASN A 99 0.436 13.905 3.576 1.00 0.00 C ATOM 1527 CG ASN A 99 1.142 15.144 3.038 1.00 0.00 C ATOM 1528 OD1 ASN A 99 1.674 15.149 1.932 1.00 0.00 O ATOM 1529 ND2 ASN A 99 1.154 16.215 3.825 1.00 0.00 N ATOM 0 H ASN A 99 -0.850 11.872 3.895 1.00 0.00 H new ATOM 0 HA ASN A 99 0.497 12.946 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.634 14.102 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.791 13.697 4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.614 17.071 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.703 16.181 4.739 1.00 0.00 H new ATOM 1536 N THR A 100 2.392 11.312 3.781 1.00 0.00 N ATOM 1537 CA THR A 100 3.730 10.768 3.973 1.00 0.00 C ATOM 1538 C THR A 100 4.058 9.740 2.897 1.00 0.00 C ATOM 1539 O THR A 100 5.183 9.720 2.402 1.00 0.00 O ATOM 1540 CB THR A 100 3.869 10.172 5.376 1.00 0.00 C ATOM 1541 OG1 THR A 100 3.626 11.170 6.344 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.283 9.637 5.581 1.00 0.00 C ATOM 0 H THR A 100 1.703 10.975 4.453 1.00 0.00 H new ATOM 0 HA THR A 100 4.450 11.581 3.880 1.00 0.00 H new ATOM 0 HB THR A 100 3.148 9.362 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.678 11.416 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.371 9.215 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.490 8.863 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.000 10.450 5.465 1.00 0.00 H new ATOM 1550 N LEU A 101 3.107 8.880 2.517 1.00 0.00 N ATOM 1551 CA LEU A 101 3.345 7.984 1.396 1.00 0.00 C ATOM 1552 C LEU A 101 3.568 8.816 0.132 1.00 0.00 C ATOM 1553 O LEU A 101 4.285 8.396 -0.772 1.00 0.00 O ATOM 1554 CB LEU A 101 2.148 7.057 1.182 1.00 0.00 C ATOM 1555 CG LEU A 101 2.005 5.983 2.260 1.00 0.00 C ATOM 1556 CD1 LEU A 101 0.592 5.407 2.179 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.011 4.859 2.026 1.00 0.00 C ATOM 0 H LEU A 101 2.192 8.790 2.959 1.00 0.00 H new ATOM 0 HA LEU A 101 4.224 7.376 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.237 7.655 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.243 6.574 0.210 1.00 0.00 H new ATOM 0 HG LEU A 101 2.190 6.424 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.469 4.637 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.135 6.202 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.433 4.970 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.897 4.102 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.833 4.408 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.023 5.263 2.059 1.00 0.00 H new ATOM 1569 N GLY A 102 2.951 10.000 0.068 1.00 0.00 N ATOM 1570 CA GLY A 102 3.094 10.914 -1.050 1.00 0.00 C ATOM 1571 C GLY A 102 4.535 11.370 -1.299 1.00 0.00 C ATOM 1572 O GLY A 102 4.813 11.909 -2.368 1.00 0.00 O ATOM 0 H GLY A 102 2.334 10.347 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.715 10.432 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.472 11.791 -0.872 1.00 0.00 H new ATOM 1576 N GLU A 103 5.454 11.167 -0.347 1.00 0.00 N ATOM 1577 CA GLU A 103 6.843 11.579 -0.529 1.00 0.00 C ATOM 1578 C GLU A 103 7.741 10.405 -0.927 1.00 0.00 C ATOM 1579 O GLU A 103 8.916 10.603 -1.233 1.00 0.00 O ATOM 1580 CB GLU A 103 7.350 12.324 0.711 1.00 0.00 C ATOM 1581 CG GLU A 103 7.980 11.411 1.763 1.00 0.00 C ATOM 1582 CD GLU A 103 8.391 12.215 2.994 1.00 0.00 C ATOM 1583 OE1 GLU A 103 7.500 12.495 3.827 1.00 0.00 O ATOM 1584 OE2 GLU A 103 9.594 12.544 3.093 1.00 0.00 O ATOM 0 H GLU A 103 5.259 10.723 0.550 1.00 0.00 H new ATOM 0 HA GLU A 103 6.885 12.278 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.084 13.068 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.519 12.865 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.271 10.634 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.851 10.909 1.342 1.00 0.00 H new ATOM 1591 N VAL A 104 7.189 9.185 -0.926 1.00 0.00 N ATOM 1592 CA VAL A 104 7.941 7.979 -1.256 1.00 0.00 C ATOM 1593 C VAL A 104 7.332 7.219 -2.424 1.00 0.00 C ATOM 1594 O VAL A 104 8.015 6.400 -3.032 1.00 0.00 O ATOM 1595 CB VAL A 104 8.017 7.052 -0.045 1.00 0.00 C ATOM 1596 CG1 VAL A 104 8.785 7.721 1.092 1.00 0.00 C ATOM 1597 CG2 VAL A 104 6.607 6.695 0.421 1.00 0.00 C ATOM 0 H VAL A 104 6.210 9.012 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 104 8.941 8.303 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 104 8.544 6.142 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.830 7.047 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.797 7.954 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.278 8.641 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.666 6.033 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.073 7.605 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.074 6.192 -0.385 1.00 0.00 H new ATOM 1607 N ILE A 105 6.061 7.471 -2.754 1.00 0.00 N ATOM 1608 CA ILE A 105 5.385 6.789 -3.845 1.00 0.00 C ATOM 1609 C ILE A 105 6.205 6.839 -5.134 1.00 0.00 C ATOM 1610 O ILE A 105 6.097 5.939 -5.965 1.00 0.00 O ATOM 1611 CB ILE A 105 4.003 7.428 -4.025 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.089 6.566 -4.899 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.123 8.824 -4.645 1.00 0.00 C ATOM 1614 CD1 ILE A 105 2.859 5.203 -4.251 1.00 0.00 C ATOM 0 H ILE A 105 5.479 8.154 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 105 5.270 5.732 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 105 3.560 7.508 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.134 7.071 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.536 6.436 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.129 9.256 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.721 9.461 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.604 8.749 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.207 4.604 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.814 4.693 -4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.391 5.338 -3.276 1.00 0.00 H new ATOM 1626 N GLN A 106 7.022 7.883 -5.301 1.00 0.00 N ATOM 1627 CA GLN A 106 7.887 8.025 -6.461 1.00 0.00 C ATOM 1628 C GLN A 106 8.851 6.845 -6.568 1.00 0.00 C ATOM 1629 O GLN A 106 8.914 6.203 -7.615 1.00 0.00 O ATOM 1630 CB GLN A 106 8.616 9.373 -6.403 1.00 0.00 C ATOM 1631 CG GLN A 106 9.288 9.637 -5.050 1.00 0.00 C ATOM 1632 CD GLN A 106 9.926 11.023 -4.994 1.00 0.00 C ATOM 1633 OE1 GLN A 106 10.141 11.667 -6.018 1.00 0.00 O ATOM 1634 NE2 GLN A 106 10.235 11.495 -3.789 1.00 0.00 N ATOM 0 H GLN A 106 7.098 8.650 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 106 7.281 8.015 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.371 9.405 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.905 10.173 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.550 9.544 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.050 8.879 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.044 10.936 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.663 12.416 -3.696 1.00 0.00 H new ATOM 1643 N GLU A 107 9.596 6.559 -5.495 1.00 0.00 N ATOM 1644 CA GLU A 107 10.581 5.488 -5.500 1.00 0.00 C ATOM 1645 C GLU A 107 9.926 4.124 -5.280 1.00 0.00 C ATOM 1646 O GLU A 107 10.454 3.115 -5.743 1.00 0.00 O ATOM 1647 CB GLU A 107 11.681 5.780 -4.473 1.00 0.00 C ATOM 1648 CG GLU A 107 11.139 5.912 -3.051 1.00 0.00 C ATOM 1649 CD GLU A 107 12.274 6.148 -2.057 1.00 0.00 C ATOM 1650 OE1 GLU A 107 12.656 7.328 -1.886 1.00 0.00 O ATOM 1651 OE2 GLU A 107 12.751 5.149 -1.476 1.00 0.00 O ATOM 0 H GLU A 107 9.530 7.062 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 107 11.048 5.447 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.422 4.981 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.195 6.701 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.430 6.738 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.594 5.008 -2.779 1.00 0.00 H new ATOM 1658 N LEU A 108 8.786 4.074 -4.581 1.00 0.00 N ATOM 1659 CA LEU A 108 8.095 2.811 -4.367 1.00 0.00 C ATOM 1660 C LEU A 108 7.596 2.266 -5.700 1.00 0.00 C ATOM 1661 O LEU A 108 7.849 1.104 -6.020 1.00 0.00 O ATOM 1662 CB LEU A 108 6.939 2.990 -3.384 1.00 0.00 C ATOM 1663 CG LEU A 108 7.419 3.305 -1.963 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.198 3.493 -1.070 1.00 0.00 C ATOM 1665 CD2 LEU A 108 8.268 2.172 -1.391 1.00 0.00 C ATOM 0 H LEU A 108 8.332 4.886 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 108 8.792 2.093 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.292 3.795 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.337 2.082 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 108 8.030 4.207 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.522 3.718 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.593 4.317 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.605 2.579 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.590 2.432 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.678 1.256 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.143 2.018 -2.023 1.00 0.00 H new ATOM 1677 N LEU A 109 6.892 3.092 -6.478 1.00 0.00 N ATOM 1678 CA LEU A 109 6.461 2.687 -7.807 1.00 0.00 C ATOM 1679 C LEU A 109 7.701 2.469 -8.661 1.00 0.00 C ATOM 1680 O LEU A 109 7.943 1.336 -9.071 1.00 0.00 O ATOM 1681 CB LEU A 109 5.494 3.709 -8.408 1.00 0.00 C ATOM 1682 CG LEU A 109 4.188 3.829 -7.607 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.252 4.838 -8.267 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.452 2.493 -7.538 1.00 0.00 C ATOM 0 H LEU A 109 6.613 4.036 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 109 5.903 1.752 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.981 4.683 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.262 3.424 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 109 4.459 4.152 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.331 4.912 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.737 5.814 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.019 4.510 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.533 2.613 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.209 2.159 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.088 1.752 -7.053 1.00 0.00 H new ATOM 1696 N SER A 110 8.481 3.523 -8.930 1.00 0.00 N ATOM 1697 CA SER A 110 9.702 3.413 -9.723 1.00 0.00 C ATOM 1698 C SER A 110 10.445 2.090 -9.518 1.00 0.00 C ATOM 1699 O SER A 110 10.700 1.391 -10.496 1.00 0.00 O ATOM 1700 CB SER A 110 10.623 4.577 -9.360 1.00 0.00 C ATOM 1701 OG SER A 110 11.938 4.350 -9.824 1.00 0.00 O ATOM 0 H SER A 110 8.282 4.469 -8.604 1.00 0.00 H new ATOM 0 HA SER A 110 9.413 3.444 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 110 10.236 5.500 -9.793 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.634 4.712 -8.278 1.00 0.00 H new ATOM 0 HG SER A 110 12.507 5.110 -9.580 1.00 0.00 H new ATOM 1707 N ASP A 111 10.802 1.722 -8.280 1.00 0.00 N ATOM 1708 CA ASP A 111 11.552 0.488 -8.072 1.00 0.00 C ATOM 1709 C ASP A 111 10.682 -0.750 -8.263 1.00 0.00 C ATOM 1710 O ASP A 111 11.159 -1.731 -8.829 1.00 0.00 O ATOM 1711 CB ASP A 111 12.188 0.447 -6.684 1.00 0.00 C ATOM 1712 CG ASP A 111 13.278 1.504 -6.513 1.00 0.00 C ATOM 1713 OD1 ASP A 111 13.994 1.764 -7.506 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.386 2.046 -5.392 1.00 0.00 O ATOM 0 H ASP A 111 10.588 2.248 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 111 12.339 0.479 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.417 0.599 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.613 -0.541 -6.511 1.00 0.00 H new ATOM 1719 N ALA A 112 9.424 -0.731 -7.809 1.00 0.00 N ATOM 1720 CA ALA A 112 8.551 -1.883 -7.970 1.00 0.00 C ATOM 1721 C ALA A 112 8.423 -2.246 -9.449 1.00 0.00 C ATOM 1722 O ALA A 112 8.590 -3.411 -9.804 1.00 0.00 O ATOM 1723 CB ALA A 112 7.181 -1.572 -7.370 1.00 0.00 C ATOM 0 H ALA A 112 8.997 0.064 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 112 8.980 -2.738 -7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.527 -2.435 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.291 -1.345 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.746 -0.713 -7.881 1.00 0.00 H new ATOM 1729 N ILE A 113 8.130 -1.269 -10.313 1.00 0.00 N ATOM 1730 CA ILE A 113 7.974 -1.545 -11.734 1.00 0.00 C ATOM 1731 C ILE A 113 9.310 -1.754 -12.441 1.00 0.00 C ATOM 1732 O ILE A 113 9.380 -2.535 -13.387 1.00 0.00 O ATOM 1733 CB ILE A 113 7.194 -0.438 -12.450 1.00 0.00 C ATOM 1734 CG1 ILE A 113 6.309 0.337 -11.471 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.373 -1.110 -13.547 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.187 1.149 -12.099 1.00 0.00 C ATOM 0 H ILE A 113 7.998 -0.292 -10.052 1.00 0.00 H new ATOM 0 HA ILE A 113 7.407 -2.474 -11.788 1.00 0.00 H new ATOM 0 HB ILE A 113 7.873 0.296 -12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.871 -0.371 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.941 1.011 -10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.799 -0.356 -14.085 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.041 -1.621 -14.240 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.692 -1.834 -13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.623 1.657 -11.316 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.610 1.888 -12.780 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.523 0.485 -12.652 1.00 0.00 H new ATOM 1748 N ALA A 114 10.377 -1.075 -12.005 1.00 0.00 N ATOM 1749 CA ALA A 114 11.675 -1.256 -12.634 1.00 0.00 C ATOM 1750 C ALA A 114 12.203 -2.656 -12.338 1.00 0.00 C ATOM 1751 O ALA A 114 12.957 -3.221 -13.128 1.00 0.00 O ATOM 1752 CB ALA A 114 12.649 -0.185 -12.147 1.00 0.00 C ATOM 0 H ALA A 114 10.362 -0.409 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 114 11.571 -1.151 -13.714 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.618 -0.330 -12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.263 0.802 -12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.762 -0.261 -11.066 1.00 0.00 H new ATOM 1758 N LYS A 115 11.803 -3.216 -11.190 1.00 0.00 N ATOM 1759 CA LYS A 115 12.125 -4.577 -10.799 1.00 0.00 C ATOM 1760 C LYS A 115 11.207 -5.569 -11.517 1.00 0.00 C ATOM 1761 O LYS A 115 11.546 -6.740 -11.677 1.00 0.00 O ATOM 1762 CB LYS A 115 12.005 -4.643 -9.271 1.00 0.00 C ATOM 1763 CG LYS A 115 12.057 -6.078 -8.740 1.00 0.00 C ATOM 1764 CD LYS A 115 10.694 -6.493 -8.189 1.00 0.00 C ATOM 1765 CE LYS A 115 9.569 -6.299 -9.206 1.00 0.00 C ATOM 1766 NZ LYS A 115 8.237 -6.531 -8.616 1.00 0.00 N ATOM 0 H LYS A 115 11.237 -2.720 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 115 13.138 -4.854 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.811 -4.063 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.068 -4.179 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.355 -6.757 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.811 -6.155 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.731 -7.540 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.475 -5.911 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.615 -5.287 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.717 -6.981 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.504 -6.339 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.164 -7.520 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.103 -5.898 -7.802 1.00 0.00 H new ATOM 1780 N SER A 116 10.035 -5.102 -11.956 1.00 0.00 N ATOM 1781 CA SER A 116 8.998 -5.959 -12.509 1.00 0.00 C ATOM 1782 C SER A 116 9.274 -6.413 -13.937 1.00 0.00 C ATOM 1783 O SER A 116 9.990 -5.757 -14.692 1.00 0.00 O ATOM 1784 CB SER A 116 7.657 -5.222 -12.463 1.00 0.00 C ATOM 1785 OG SER A 116 7.193 -5.153 -11.133 1.00 0.00 O ATOM 0 H SER A 116 9.784 -4.114 -11.935 1.00 0.00 H new ATOM 0 HA SER A 116 8.977 -6.859 -11.895 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.770 -4.217 -12.871 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.927 -5.738 -13.086 1.00 0.00 H new ATOM 0 HG SER A 116 7.548 -4.346 -10.704 1.00 0.00 H new ATOM 1791 N ASN A 117 8.678 -7.557 -14.286 1.00 0.00 N ATOM 1792 CA ASN A 117 8.631 -8.071 -15.646 1.00 0.00 C ATOM 1793 C ASN A 117 7.341 -7.557 -16.290 1.00 0.00 C ATOM 1794 O ASN A 117 6.594 -6.817 -15.654 1.00 0.00 O ATOM 1795 CB ASN A 117 8.681 -9.603 -15.614 1.00 0.00 C ATOM 1796 CG ASN A 117 10.007 -10.133 -15.080 1.00 0.00 C ATOM 1797 OD1 ASN A 117 10.948 -9.383 -14.837 1.00 0.00 O ATOM 1798 ND2 ASN A 117 10.091 -11.448 -14.893 1.00 0.00 N ATOM 0 H ASN A 117 8.206 -8.160 -13.612 1.00 0.00 H new ATOM 0 HA ASN A 117 9.484 -7.731 -16.233 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.867 -9.977 -14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 117 8.517 -9.990 -16.620 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.955 -11.859 -14.538 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.292 -12.045 -15.104 1.00 0.00 H new ATOM 1805 N GLN A 118 7.069 -7.935 -17.541 1.00 0.00 N ATOM 1806 CA GLN A 118 5.885 -7.462 -18.244 1.00 0.00 C ATOM 1807 C GLN A 118 4.607 -7.769 -17.456 1.00 0.00 C ATOM 1808 O GLN A 118 3.730 -6.914 -17.347 1.00 0.00 O ATOM 1809 CB GLN A 118 5.812 -8.094 -19.641 1.00 0.00 C ATOM 1810 CG GLN A 118 6.973 -7.672 -20.550 1.00 0.00 C ATOM 1811 CD GLN A 118 8.279 -8.410 -20.267 1.00 0.00 C ATOM 1812 OE1 GLN A 118 8.318 -9.384 -19.519 1.00 0.00 O ATOM 1813 NE2 GLN A 118 9.373 -7.948 -20.872 1.00 0.00 N ATOM 0 H GLN A 118 7.656 -8.568 -18.084 1.00 0.00 H new ATOM 0 HA GLN A 118 5.964 -6.380 -18.344 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.810 -9.180 -19.543 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.869 -7.815 -20.111 1.00 0.00 H new ATOM 0 HG2 GLN A 118 6.689 -7.842 -21.589 1.00 0.00 H new ATOM 0 HG3 GLN A 118 7.140 -6.601 -20.436 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.311 -7.137 -21.488 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.272 -8.405 -20.719 1.00 0.00 H new ATOM 1822 N ASP A 119 4.483 -8.978 -16.899 1.00 0.00 N ATOM 1823 CA ASP A 119 3.278 -9.348 -16.168 1.00 0.00 C ATOM 1824 C ASP A 119 3.141 -8.520 -14.890 1.00 0.00 C ATOM 1825 O ASP A 119 2.050 -8.054 -14.563 1.00 0.00 O ATOM 1826 CB ASP A 119 3.333 -10.838 -15.847 1.00 0.00 C ATOM 1827 CG ASP A 119 2.066 -11.297 -15.127 1.00 0.00 C ATOM 1828 OD1 ASP A 119 1.018 -11.383 -15.808 1.00 0.00 O ATOM 1829 OD2 ASP A 119 2.148 -11.555 -13.907 1.00 0.00 O ATOM 0 H ASP A 119 5.196 -9.706 -16.942 1.00 0.00 H new ATOM 0 HA ASP A 119 2.403 -9.143 -16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.456 -11.407 -16.769 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.203 -11.046 -15.225 1.00 0.00 H new ATOM 1834 N HIS A 120 4.244 -8.335 -14.162 1.00 0.00 N ATOM 1835 CA HIS A 120 4.216 -7.586 -12.918 1.00 0.00 C ATOM 1836 C HIS A 120 3.988 -6.097 -13.186 1.00 0.00 C ATOM 1837 O HIS A 120 3.306 -5.437 -12.406 1.00 0.00 O ATOM 1838 CB HIS A 120 5.509 -7.848 -12.150 1.00 0.00 C ATOM 1839 CG HIS A 120 5.671 -9.291 -11.761 1.00 0.00 C ATOM 1840 ND1 HIS A 120 6.578 -10.183 -12.342 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.961 -9.935 -10.789 1.00 0.00 C ATOM 1842 CE1 HIS A 120 6.390 -11.347 -11.699 1.00 0.00 C ATOM 1843 NE2 HIS A 120 5.429 -11.229 -10.763 1.00 0.00 N ATOM 0 H HIS A 120 5.163 -8.696 -14.417 1.00 0.00 H new ATOM 0 HA HIS A 120 3.380 -7.919 -12.302 1.00 0.00 H new ATOM 0 HB2 HIS A 120 6.358 -7.543 -12.762 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.525 -7.230 -11.252 1.00 0.00 H new ATOM 0 HD2 HIS A 120 4.187 -9.513 -10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 120 6.936 -12.256 -11.905 1.00 0.00 H new ATOM 0 HE2 HIS A 120 5.104 -11.970 -10.142 1.00 0.00 H new ATOM 1851 N LYS A 121 4.547 -5.559 -14.278 1.00 0.00 N ATOM 1852 CA LYS A 121 4.271 -4.178 -14.658 1.00 0.00 C ATOM 1853 C LYS A 121 2.789 -4.033 -14.949 1.00 0.00 C ATOM 1854 O LYS A 121 2.188 -3.025 -14.591 1.00 0.00 O ATOM 1855 CB LYS A 121 5.140 -3.742 -15.854 1.00 0.00 C ATOM 1856 CG LYS A 121 4.397 -2.878 -16.888 1.00 0.00 C ATOM 1857 CD LYS A 121 3.761 -3.722 -17.997 1.00 0.00 C ATOM 1858 CE LYS A 121 2.626 -2.973 -18.694 1.00 0.00 C ATOM 1859 NZ LYS A 121 3.125 -1.818 -19.464 1.00 0.00 N ATOM 0 H LYS A 121 5.183 -6.055 -14.902 1.00 0.00 H new ATOM 0 HA LYS A 121 4.532 -3.515 -13.833 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.999 -3.185 -15.481 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.528 -4.631 -16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.623 -2.298 -16.385 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.093 -2.165 -17.330 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.521 -3.994 -18.729 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.379 -4.651 -17.574 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.097 -3.654 -19.361 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.906 -2.631 -17.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.326 -1.335 -19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.608 -1.156 -18.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.793 -2.147 -20.190 1.00 0.00 H new ATOM 1873 N GLU A 122 2.190 -5.031 -15.596 1.00 0.00 N ATOM 1874 CA GLU A 122 0.788 -4.941 -15.951 1.00 0.00 C ATOM 1875 C GLU A 122 -0.087 -4.961 -14.701 1.00 0.00 C ATOM 1876 O GLU A 122 -1.084 -4.245 -14.638 1.00 0.00 O ATOM 1877 CB GLU A 122 0.453 -6.081 -16.905 1.00 0.00 C ATOM 1878 CG GLU A 122 -0.997 -5.921 -17.349 1.00 0.00 C ATOM 1879 CD GLU A 122 -1.398 -7.009 -18.343 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -1.203 -6.780 -19.558 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -1.895 -8.060 -17.883 1.00 0.00 O ATOM 0 H GLU A 122 2.651 -5.896 -15.879 1.00 0.00 H new ATOM 0 HA GLU A 122 0.588 -3.995 -16.454 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.119 -6.063 -17.768 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.596 -7.043 -16.413 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.652 -5.961 -16.479 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.133 -4.941 -17.805 1.00 0.00 H new ATOM 1888 N LYS A 123 0.277 -5.773 -13.704 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.446 -5.785 -12.436 1.00 0.00 C ATOM 1890 C LYS A 123 -0.344 -4.432 -11.729 1.00 0.00 C ATOM 1891 O LYS A 123 -1.342 -3.922 -11.222 1.00 0.00 O ATOM 1892 CB LYS A 123 0.109 -6.890 -11.534 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.280 -8.271 -12.074 1.00 0.00 C ATOM 1894 CD LYS A 123 0.289 -9.391 -11.200 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.238 -9.322 -9.764 1.00 0.00 C ATOM 1896 NZ LYS A 123 -1.704 -9.508 -9.711 1.00 0.00 N ATOM 0 H LYS A 123 1.061 -6.424 -13.752 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.498 -5.979 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.194 -6.809 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.275 -6.768 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.366 -8.355 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.087 -8.381 -13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.031 -10.357 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.377 -9.326 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.248 -10.088 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.023 -8.358 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.150 -8.646 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.065 -9.699 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -1.930 -10.311 -9.089 1.00 0.00 H new ATOM 1910 N ILE A 124 0.855 -3.843 -11.690 1.00 0.00 N ATOM 1911 CA ILE A 124 1.045 -2.539 -11.066 1.00 0.00 C ATOM 1912 C ILE A 124 0.308 -1.474 -11.880 1.00 0.00 C ATOM 1913 O ILE A 124 -0.238 -0.524 -11.320 1.00 0.00 O ATOM 1914 CB ILE A 124 2.545 -2.244 -10.937 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.178 -3.264 -9.981 1.00 0.00 C ATOM 1916 CG2 ILE A 124 2.778 -0.826 -10.400 1.00 0.00 C ATOM 1917 CD1 ILE A 124 4.704 -3.154 -9.972 1.00 0.00 C ATOM 0 H ILE A 124 1.703 -4.250 -12.083 1.00 0.00 H new ATOM 0 HA ILE A 124 0.625 -2.532 -10.060 1.00 0.00 H new ATOM 0 HB ILE A 124 3.004 -2.319 -11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.795 -3.105 -8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.887 -4.272 -10.278 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.849 -0.640 -10.317 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.335 -0.101 -11.083 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.316 -0.728 -9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.118 -3.891 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.088 -3.338 -10.975 1.00 0.00 H new ATOM 0 HD13 ILE A 124 4.995 -2.154 -9.650 1.00 0.00 H new ATOM 1929 N ARG A 125 0.288 -1.622 -13.208 1.00 0.00 N ATOM 1930 CA ARG A 125 -0.449 -0.718 -14.073 1.00 0.00 C ATOM 1931 C ARG A 125 -1.947 -0.859 -13.827 1.00 0.00 C ATOM 1932 O ARG A 125 -2.679 0.116 -13.956 1.00 0.00 O ATOM 1933 CB ARG A 125 -0.090 -1.003 -15.532 1.00 0.00 C ATOM 1934 CG ARG A 125 -0.773 -0.004 -16.469 1.00 0.00 C ATOM 1935 CD ARG A 125 -0.339 -0.271 -17.909 1.00 0.00 C ATOM 1936 NE ARG A 125 -0.977 0.670 -18.840 1.00 0.00 N ATOM 1937 CZ ARG A 125 -2.196 0.506 -19.366 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -2.931 -0.563 -19.066 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -2.684 1.420 -20.200 1.00 0.00 N ATOM 0 H ARG A 125 0.779 -2.367 -13.702 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.174 0.313 -13.848 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.991 -0.949 -15.662 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.392 -2.017 -15.793 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.856 -0.092 -16.383 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.512 1.015 -16.183 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.745 -0.185 -17.987 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.598 -1.293 -18.186 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.455 1.506 -19.103 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.566 -1.270 -18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.859 -0.675 -19.475 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.129 2.243 -20.437 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.613 1.298 -20.603 1.00 0.00 H new ATOM 1953 N MET A 126 -2.418 -2.062 -13.473 1.00 0.00 N ATOM 1954 CA MET A 126 -3.817 -2.267 -13.131 1.00 0.00 C ATOM 1955 C MET A 126 -4.137 -1.531 -11.834 1.00 0.00 C ATOM 1956 O MET A 126 -5.185 -0.899 -11.728 1.00 0.00 O ATOM 1957 CB MET A 126 -4.112 -3.762 -12.989 1.00 0.00 C ATOM 1958 CG MET A 126 -5.606 -3.997 -12.749 1.00 0.00 C ATOM 1959 SD MET A 126 -6.054 -5.710 -12.356 1.00 0.00 S ATOM 1960 CE MET A 126 -5.356 -5.834 -10.682 1.00 0.00 C ATOM 0 H MET A 126 -1.844 -2.904 -13.418 1.00 0.00 H new ATOM 0 HA MET A 126 -4.446 -1.869 -13.928 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.796 -4.288 -13.890 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.536 -4.175 -12.161 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.934 -3.354 -11.932 1.00 0.00 H new ATOM 0 HG3 MET A 126 -6.155 -3.688 -13.638 1.00 0.00 H new ATOM 0 HE1 MET A 126 -5.747 -6.724 -10.190 1.00 0.00 H new ATOM 0 HE2 MET A 126 -4.270 -5.902 -10.745 1.00 0.00 H new ATOM 0 HE3 MET A 126 -5.632 -4.950 -10.107 1.00 0.00 H new ATOM 1970 N LEU A 127 -3.243 -1.603 -10.841 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.424 -0.878 -9.592 1.00 0.00 C ATOM 1972 C LEU A 127 -3.567 0.619 -9.866 1.00 0.00 C ATOM 1973 O LEU A 127 -4.473 1.275 -9.347 1.00 0.00 O ATOM 1974 CB LEU A 127 -2.217 -1.159 -8.687 1.00 0.00 C ATOM 1975 CG LEU A 127 -2.247 -0.358 -7.382 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -3.457 -0.734 -6.535 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -0.979 -0.660 -6.583 1.00 0.00 C ATOM 0 H LEU A 127 -2.388 -2.158 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.335 -1.210 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.186 -2.223 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.301 -0.925 -9.229 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.307 0.702 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.453 -0.150 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.370 -0.526 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.415 -1.796 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.992 -0.094 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.935 -1.726 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.104 -0.376 -7.168 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.667 1.164 -10.689 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.678 2.578 -11.023 1.00 0.00 C ATOM 1991 C LEU A 128 -3.861 2.930 -11.925 1.00 0.00 C ATOM 1992 O LEU A 128 -4.337 4.065 -11.901 1.00 0.00 O ATOM 1993 CB LEU A 128 -1.339 2.927 -11.678 1.00 0.00 C ATOM 1994 CG LEU A 128 -0.176 2.696 -10.708 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.140 2.830 -11.464 1.00 0.00 C ATOM 1996 CD2 LEU A 128 -0.193 3.718 -9.573 1.00 0.00 C ATOM 0 H LEU A 128 -1.918 0.636 -11.136 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.803 3.170 -10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.198 2.319 -12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -1.348 3.969 -11.999 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.279 1.697 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 128 1.972 2.667 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.178 2.090 -12.263 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.214 3.830 -11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.644 3.529 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.106 4.723 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.129 3.633 -9.020 1.00 0.00 H new ATOM 2008 N ASP A 129 -4.344 1.971 -12.722 1.00 0.00 N ATOM 2009 CA ASP A 129 -5.519 2.177 -13.553 1.00 0.00 C ATOM 2010 C ASP A 129 -6.762 2.279 -12.675 1.00 0.00 C ATOM 2011 O ASP A 129 -7.647 3.085 -12.953 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.645 1.022 -14.548 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.862 1.186 -15.457 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -6.860 2.151 -16.251 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.783 0.346 -15.346 1.00 0.00 O ATOM 0 H ASP A 129 -3.931 1.042 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.419 3.108 -14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.742 0.966 -15.156 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.722 0.081 -14.004 1.00 0.00 H new ATOM 2512 N PRO B 160 -7.208 -15.036 1.997 1.00 0.00 N ATOM 2513 CA PRO B 160 -8.261 -15.014 0.993 1.00 0.00 C ATOM 2514 C PRO B 160 -7.868 -14.092 -0.160 1.00 0.00 C ATOM 2515 O PRO B 160 -6.816 -13.455 -0.122 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.490 -14.476 1.732 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.874 -13.535 2.768 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.623 -14.305 3.180 1.00 0.00 C ATOM 0 HA PRO B 160 -8.447 -15.995 0.557 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -10.168 -13.950 1.060 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -10.063 -15.276 2.201 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.633 -12.560 2.344 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.543 -13.360 3.611 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -6.839 -13.627 3.517 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -7.835 -14.984 4.006 1.00 0.00 H new ATOM 2526 N SER B 161 -8.715 -14.015 -1.192 1.00 0.00 N ATOM 2527 CA SER B 161 -8.479 -13.120 -2.317 1.00 0.00 C ATOM 2528 C SER B 161 -8.619 -11.662 -1.883 1.00 0.00 C ATOM 2529 O SER B 161 -9.310 -11.360 -0.911 1.00 0.00 O ATOM 2530 CB SER B 161 -9.453 -13.442 -3.447 1.00 0.00 C ATOM 2531 OG SER B 161 -9.324 -14.799 -3.821 1.00 0.00 O ATOM 0 H SER B 161 -9.571 -14.565 -1.266 1.00 0.00 H new ATOM 0 HA SER B 161 -7.461 -13.267 -2.678 1.00 0.00 H new ATOM 0 HB2 SER B 161 -10.475 -13.240 -3.127 1.00 0.00 H new ATOM 0 HB3 SER B 161 -9.254 -12.799 -4.304 1.00 0.00 H new ATOM 0 HG SER B 161 -9.953 -15.000 -4.545 1.00 0.00 H new ATOM 2537 N TYR B 162 -7.956 -10.758 -2.607 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.977 -9.334 -2.306 1.00 0.00 C ATOM 2539 C TYR B 162 -7.797 -8.509 -3.583 1.00 0.00 C ATOM 2540 O TYR B 162 -6.980 -8.847 -4.440 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.854 -9.011 -1.319 1.00 0.00 C ATOM 2542 CG TYR B 162 -6.482 -7.549 -1.322 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.597 -7.077 -2.301 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -7.019 -6.671 -0.370 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -5.269 -5.715 -2.355 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -6.689 -5.310 -0.417 1.00 0.00 C ATOM 2547 CZ TYR B 162 -5.824 -4.824 -1.424 1.00 0.00 C ATOM 2548 OH TYR B 162 -5.523 -3.499 -1.504 1.00 0.00 O ATOM 0 H TYR B 162 -7.389 -10.999 -3.420 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.941 -9.080 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -7.163 -9.301 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.975 -9.606 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -5.167 -7.764 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -7.684 -7.042 0.396 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -4.590 -5.352 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -7.096 -4.631 0.317 1.00 0.00 H new ATOM 0 HH TYR B 162 -4.621 -3.347 -1.153 1.00 0.00 H new ATOM 2558 N SER B 163 -8.571 -7.423 -3.695 1.00 0.00 N ATOM 2559 CA SER B 163 -8.533 -6.531 -4.844 1.00 0.00 C ATOM 2560 C SER B 163 -8.484 -5.065 -4.411 1.00 0.00 C ATOM 2561 O SER B 163 -9.230 -4.652 -3.522 1.00 0.00 O ATOM 2562 CB SER B 163 -9.762 -6.761 -5.724 1.00 0.00 C ATOM 2563 OG SER B 163 -9.788 -5.796 -6.758 1.00 0.00 O ATOM 0 H SER B 163 -9.244 -7.143 -2.982 1.00 0.00 H new ATOM 0 HA SER B 163 -7.627 -6.752 -5.408 1.00 0.00 H new ATOM 0 HB2 SER B 163 -9.736 -7.764 -6.149 1.00 0.00 H new ATOM 0 HB3 SER B 163 -10.670 -6.692 -5.125 1.00 0.00 H new ATOM 0 HG SER B 163 -10.488 -6.027 -7.404 1.00 0.00 H new ATOM 2569 N PRO B 164 -7.607 -4.263 -5.031 1.00 0.00 N ATOM 2570 CA PRO B 164 -7.526 -2.829 -4.799 1.00 0.00 C ATOM 2571 C PRO B 164 -8.840 -2.111 -5.099 1.00 0.00 C ATOM 2572 O PRO B 164 -9.007 -0.948 -4.737 1.00 0.00 O ATOM 2573 CB PRO B 164 -6.439 -2.330 -5.757 1.00 0.00 C ATOM 2574 CG PRO B 164 -5.577 -3.562 -6.012 1.00 0.00 C ATOM 2575 CD PRO B 164 -6.613 -4.681 -6.003 1.00 0.00 C ATOM 0 HA PRO B 164 -7.305 -2.626 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.868 -1.945 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.858 -1.521 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -5.050 -3.501 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -4.822 -3.699 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -7.057 -4.816 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -6.163 -5.634 -5.723 1.00 0.00 H new ATOM 2583 N THR B 165 -9.772 -2.806 -5.760 1.00 0.00 N ATOM 2584 CA THR B 165 -11.014 -2.214 -6.237 1.00 0.00 C ATOM 2585 C THR B 165 -12.046 -2.040 -5.119 1.00 0.00 C ATOM 2586 O THR B 165 -13.114 -1.482 -5.367 1.00 0.00 O ATOM 2587 CB THR B 165 -11.588 -3.081 -7.363 1.00 0.00 C ATOM 2588 OG1 THR B 165 -10.559 -3.557 -8.200 1.00 0.00 O ATOM 2589 CG2 THR B 165 -12.574 -2.301 -8.232 1.00 0.00 C ATOM 0 H THR B 165 -9.680 -3.798 -5.977 1.00 0.00 H new ATOM 0 HA THR B 165 -10.787 -1.216 -6.612 1.00 0.00 H new ATOM 0 HB THR B 165 -12.105 -3.911 -6.882 1.00 0.00 H new ATOM 0 HG1 THR B 165 -10.099 -4.303 -7.761 1.00 0.00 H new ATOM 0 HG21 THR B 165 -12.958 -2.950 -9.019 1.00 0.00 H new ATOM 0 HG22 THR B 165 -13.401 -1.948 -7.616 1.00 0.00 H new ATOM 0 HG23 THR B 165 -12.066 -1.448 -8.682 1.00 0.00 H new