USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 173:sc= 1.14 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.053 (180deg=-0.311) USER MOD Single : A 26 THR OG1 : rot 126:sc= 1.47 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 2.4 (180deg=1.51) USER MOD Single : A 30 ASN : amide:sc= 0.291 K(o=0.29,f=-3.2!) USER MOD Single : A 33 SER OG : rot -129:sc= -0.119 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc=-0.00833 (180deg=-0.108) USER MOD Single : A 47 SER OG : rot -102:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 61 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.037) USER MOD Single : A 65 GLN : amide:sc= -0.851 K(o=-0.85,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 67 MET CE :methyl -161:sc= -0.0105 (180deg=-0.799) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0.424 (180deg=-0.00202) USER MOD Single : A 74 ASN : amide:sc= -0.539 K(o=-0.54,f=-2.8!) USER MOD Single : B 8 THR OG1 : rot 38:sc= 0.13 USER MOD Single : B 14 HIS : no HE2:sc= 0.73 K(o=0.73,f=-5.5!) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -8:sc= 0.924 USER MOD Single : B 21 ASN : amide:sc= -1.24! C(o=-1.2!,f=-3.3!) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -148:sc= 2.25 (180deg=1.39) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 70:sc= -0.0406 USER MOD Single : B 35 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.5!) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot -80:sc= 1.16 USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot -41:sc= 1.3 USER MOD Single : B 60 SER OG : rot 114:sc= 1.03 USER MOD Single : B 61 ASN : amide:sc= -0.0721 K(o=-0.072,f=-2.2!) USER MOD Single : B 65 GLN :FLIP amide:sc= -1.49! C(o=-4.9!,f=-1.5!) USER MOD Single : B 66 THR OG1 : rot 69:sc= 1.26 USER MOD Single : B 67 MET CE :methyl -171:sc= 0 (180deg=-0.182) USER MOD Single : B 72 LYS NZ :NH3+ 174:sc= 0.944 (180deg=0.867) USER MOD Single : B 74 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 11.265 7.585 -16.842 1.00 0.00 N ATOM 127 CA THR A 8 12.137 6.591 -16.243 1.00 0.00 C ATOM 128 C THR A 8 11.934 6.613 -14.732 1.00 0.00 C ATOM 129 O THR A 8 11.389 7.580 -14.198 1.00 0.00 O ATOM 130 CB THR A 8 13.623 6.837 -16.592 1.00 0.00 C ATOM 131 OG1 THR A 8 14.412 5.700 -16.216 1.00 0.00 O ATOM 132 CG2 THR A 8 14.158 8.084 -15.895 1.00 0.00 C ATOM 0 HA THR A 8 11.878 5.612 -16.645 1.00 0.00 H new ATOM 0 HB THR A 8 13.692 6.990 -17.669 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.351 5.864 -16.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.205 8.229 -16.161 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.580 8.953 -16.210 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.072 7.963 -14.815 1.00 0.00 H new ATOM 140 N PHE A 9 12.346 5.560 -14.046 1.00 0.00 N ATOM 141 CA PHE A 9 12.155 5.485 -12.608 1.00 0.00 C ATOM 142 C PHE A 9 13.374 4.864 -11.936 1.00 0.00 C ATOM 143 O PHE A 9 14.046 4.013 -12.519 1.00 0.00 O ATOM 144 CB PHE A 9 10.888 4.689 -12.274 1.00 0.00 C ATOM 145 CG PHE A 9 10.926 3.240 -12.683 1.00 0.00 C ATOM 146 CD1 PHE A 9 10.581 2.857 -13.969 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.295 2.260 -11.773 1.00 0.00 C ATOM 148 CE1 PHE A 9 10.608 1.526 -14.341 1.00 0.00 C ATOM 149 CE2 PHE A 9 11.324 0.931 -12.138 1.00 0.00 C ATOM 150 CZ PHE A 9 10.979 0.561 -13.422 1.00 0.00 C ATOM 0 H PHE A 9 12.811 4.751 -14.458 1.00 0.00 H new ATOM 0 HA PHE A 9 12.034 6.498 -12.225 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.714 4.744 -11.199 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.037 5.167 -12.760 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.288 3.607 -14.689 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.563 2.542 -10.766 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.340 1.240 -15.347 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.617 0.180 -11.419 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.999 -0.480 -13.709 1.00 0.00 H new ATOM 160 N GLU A 10 13.659 5.311 -10.720 1.00 0.00 N ATOM 161 CA GLU A 10 14.786 4.797 -9.955 1.00 0.00 C ATOM 162 C GLU A 10 14.440 4.803 -8.466 1.00 0.00 C ATOM 163 O GLU A 10 13.660 5.634 -8.008 1.00 0.00 O ATOM 164 CB GLU A 10 16.030 5.650 -10.222 1.00 0.00 C ATOM 165 CG GLU A 10 17.307 4.841 -10.412 1.00 0.00 C ATOM 166 CD GLU A 10 17.748 4.116 -9.158 1.00 0.00 C ATOM 167 OE1 GLU A 10 17.298 2.970 -8.936 1.00 0.00 O ATOM 168 OE2 GLU A 10 18.547 4.686 -8.390 1.00 0.00 O ATOM 0 H GLU A 10 13.121 6.033 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 10 14.997 3.773 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.859 6.254 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.170 6.340 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.153 4.113 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.106 5.507 -10.738 1.00 0.00 H new ATOM 175 N ILE A 11 15.007 3.869 -7.722 1.00 0.00 N ATOM 176 CA ILE A 11 14.720 3.735 -6.298 1.00 0.00 C ATOM 177 C ILE A 11 15.850 4.331 -5.462 1.00 0.00 C ATOM 178 O ILE A 11 16.886 3.693 -5.255 1.00 0.00 O ATOM 179 CB ILE A 11 14.523 2.253 -5.905 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.431 1.616 -6.770 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.174 2.130 -4.425 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.278 0.123 -6.560 1.00 0.00 C ATOM 0 H ILE A 11 15.674 3.186 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 11 13.796 4.279 -6.099 1.00 0.00 H new ATOM 0 HB ILE A 11 15.459 1.722 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.480 2.103 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.656 1.805 -7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.039 1.079 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.981 2.549 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.251 2.674 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.486 -0.256 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.216 -0.377 -6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.022 -0.074 -5.519 1.00 0.00 H new ATOM 194 N GLU A 12 15.660 5.557 -4.992 1.00 0.00 N ATOM 195 CA GLU A 12 16.695 6.231 -4.223 1.00 0.00 C ATOM 196 C GLU A 12 16.564 5.938 -2.728 1.00 0.00 C ATOM 197 O GLU A 12 17.565 5.863 -2.016 1.00 0.00 O ATOM 198 CB GLU A 12 16.672 7.745 -4.466 1.00 0.00 C ATOM 199 CG GLU A 12 15.384 8.431 -4.041 1.00 0.00 C ATOM 200 CD GLU A 12 15.508 9.943 -4.051 1.00 0.00 C ATOM 201 OE1 GLU A 12 16.019 10.503 -3.062 1.00 0.00 O ATOM 202 OE2 GLU A 12 15.105 10.580 -5.047 1.00 0.00 O ATOM 0 H GLU A 12 14.807 6.100 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 12 17.653 5.839 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.505 8.199 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.836 7.933 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.577 8.130 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.110 8.097 -3.040 1.00 0.00 H new ATOM 209 N GLU A 13 15.337 5.754 -2.256 1.00 0.00 N ATOM 210 CA GLU A 13 15.100 5.542 -0.835 1.00 0.00 C ATOM 211 C GLU A 13 14.357 4.233 -0.595 1.00 0.00 C ATOM 212 O GLU A 13 13.456 3.868 -1.352 1.00 0.00 O ATOM 213 CB GLU A 13 14.314 6.717 -0.243 1.00 0.00 C ATOM 214 CG GLU A 13 14.084 6.611 1.257 1.00 0.00 C ATOM 215 CD GLU A 13 15.377 6.608 2.046 1.00 0.00 C ATOM 216 OE1 GLU A 13 16.043 5.554 2.103 1.00 0.00 O ATOM 217 OE2 GLU A 13 15.728 7.661 2.617 1.00 0.00 O ATOM 0 H GLU A 13 14.496 5.747 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 13 16.067 5.480 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.849 7.643 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.349 6.785 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.464 7.445 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.529 5.698 1.472 1.00 0.00 H new ATOM 224 N HIS A 14 14.735 3.542 0.471 1.00 0.00 N ATOM 225 CA HIS A 14 14.151 2.252 0.812 1.00 0.00 C ATOM 226 C HIS A 14 13.455 2.342 2.164 1.00 0.00 C ATOM 227 O HIS A 14 14.061 2.746 3.154 1.00 0.00 O ATOM 228 CB HIS A 14 15.243 1.177 0.852 1.00 0.00 C ATOM 229 CG HIS A 14 14.734 -0.215 1.078 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.796 -0.851 2.298 1.00 0.00 N ATOM 231 CD2 HIS A 14 14.172 -1.102 0.223 1.00 0.00 C ATOM 232 CE1 HIS A 14 14.297 -2.066 2.184 1.00 0.00 C ATOM 233 NE2 HIS A 14 13.911 -2.245 0.936 1.00 0.00 N ATOM 0 H HIS A 14 15.453 3.858 1.123 1.00 0.00 H new ATOM 0 HA HIS A 14 13.418 1.980 0.053 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.794 1.201 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.951 1.425 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.967 -0.940 -0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.218 -2.793 2.979 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.488 -3.094 0.562 1.00 0.00 H new ATOM 242 N LEU A 15 12.183 1.971 2.205 1.00 0.00 N ATOM 243 CA LEU A 15 11.423 2.044 3.442 1.00 0.00 C ATOM 244 C LEU A 15 11.316 0.674 4.103 1.00 0.00 C ATOM 245 O LEU A 15 11.954 0.422 5.122 1.00 0.00 O ATOM 246 CB LEU A 15 10.027 2.618 3.185 1.00 0.00 C ATOM 247 CG LEU A 15 9.999 4.036 2.608 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.577 4.434 2.251 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.593 5.030 3.593 1.00 0.00 C ATOM 0 H LEU A 15 11.660 1.619 1.403 1.00 0.00 H new ATOM 0 HA LEU A 15 11.956 2.710 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.500 1.954 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.472 2.614 4.123 1.00 0.00 H new ATOM 0 HG LEU A 15 10.604 4.048 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.574 5.444 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.181 3.741 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.955 4.403 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.563 6.031 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.016 5.015 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.627 4.758 3.806 1.00 0.00 H new ATOM 261 N LEU A 16 10.536 -0.220 3.506 1.00 0.00 N ATOM 262 CA LEU A 16 10.253 -1.514 4.122 1.00 0.00 C ATOM 263 C LEU A 16 10.374 -2.647 3.120 1.00 0.00 C ATOM 264 O LEU A 16 10.095 -2.466 1.941 1.00 0.00 O ATOM 265 CB LEU A 16 8.830 -1.538 4.681 1.00 0.00 C ATOM 266 CG LEU A 16 8.499 -0.466 5.714 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.058 -0.608 6.172 1.00 0.00 C ATOM 268 CD2 LEU A 16 9.440 -0.561 6.898 1.00 0.00 C ATOM 0 H LEU A 16 10.090 -0.075 2.600 1.00 0.00 H new ATOM 0 HA LEU A 16 10.984 -1.651 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.132 -1.440 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.654 -2.515 5.131 1.00 0.00 H new ATOM 0 HG LEU A 16 8.625 0.513 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.833 0.163 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.392 -0.497 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.914 -1.591 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.189 0.211 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.342 -1.542 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.466 -0.421 6.559 1.00 0.00 H new ATOM 280 N THR A 17 10.794 -3.803 3.597 1.00 0.00 N ATOM 281 CA THR A 17 10.667 -5.038 2.843 1.00 0.00 C ATOM 282 C THR A 17 9.554 -5.878 3.472 1.00 0.00 C ATOM 283 O THR A 17 9.628 -6.229 4.652 1.00 0.00 O ATOM 284 CB THR A 17 11.984 -5.840 2.828 1.00 0.00 C ATOM 285 OG1 THR A 17 13.064 -5.005 2.382 1.00 0.00 O ATOM 286 CG2 THR A 17 11.870 -7.049 1.910 1.00 0.00 C ATOM 0 H THR A 17 11.230 -3.914 4.512 1.00 0.00 H new ATOM 0 HA THR A 17 10.427 -4.792 1.809 1.00 0.00 H new ATOM 0 HB THR A 17 12.183 -6.185 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.897 -5.522 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.811 -7.600 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.068 -7.698 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.650 -6.716 0.896 1.00 0.00 H new ATOM 294 N LEU A 18 8.521 -6.184 2.700 1.00 0.00 N ATOM 295 CA LEU A 18 7.340 -6.829 3.254 1.00 0.00 C ATOM 296 C LEU A 18 7.461 -8.348 3.259 1.00 0.00 C ATOM 297 O LEU A 18 7.450 -8.962 4.326 1.00 0.00 O ATOM 298 CB LEU A 18 6.078 -6.391 2.504 1.00 0.00 C ATOM 299 CG LEU A 18 5.715 -4.911 2.663 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.372 -4.614 2.014 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.689 -4.518 4.135 1.00 0.00 C ATOM 0 H LEU A 18 8.476 -5.998 1.698 1.00 0.00 H new ATOM 0 HA LEU A 18 7.260 -6.508 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.210 -6.606 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.239 -6.995 2.850 1.00 0.00 H new ATOM 0 HG LEU A 18 6.480 -4.319 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.133 -3.558 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.421 -4.852 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.598 -5.219 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.429 -3.463 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.947 -5.121 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.672 -4.689 4.575 1.00 0.00 H new ATOM 313 N SER A 19 7.590 -8.959 2.087 1.00 0.00 N ATOM 314 CA SER A 19 7.606 -10.414 2.011 1.00 0.00 C ATOM 315 C SER A 19 8.212 -10.916 0.702 1.00 0.00 C ATOM 316 O SER A 19 8.367 -10.161 -0.261 1.00 0.00 O ATOM 317 CB SER A 19 6.180 -10.951 2.150 1.00 0.00 C ATOM 318 OG SER A 19 5.333 -10.403 1.154 1.00 0.00 O ATOM 0 H SER A 19 7.683 -8.480 1.192 1.00 0.00 H new ATOM 0 HA SER A 19 8.230 -10.778 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.187 -12.038 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.790 -10.708 3.138 1.00 0.00 H new ATOM 0 HG SER A 19 4.459 -10.845 1.188 1.00 0.00 H new ATOM 324 N GLU A 20 8.568 -12.194 0.696 1.00 0.00 N ATOM 325 CA GLU A 20 8.989 -12.884 -0.514 1.00 0.00 C ATOM 326 C GLU A 20 7.843 -13.759 -1.011 1.00 0.00 C ATOM 327 O GLU A 20 7.522 -14.783 -0.403 1.00 0.00 O ATOM 328 CB GLU A 20 10.228 -13.737 -0.232 1.00 0.00 C ATOM 329 CG GLU A 20 10.680 -14.579 -1.414 1.00 0.00 C ATOM 330 CD GLU A 20 11.860 -15.468 -1.077 1.00 0.00 C ATOM 331 OE1 GLU A 20 11.644 -16.600 -0.596 1.00 0.00 O ATOM 332 OE2 GLU A 20 13.010 -15.037 -1.288 1.00 0.00 O ATOM 0 H GLU A 20 8.573 -12.781 1.530 1.00 0.00 H new ATOM 0 HA GLU A 20 9.246 -12.154 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.046 -13.083 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.019 -14.395 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.849 -15.197 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.949 -13.923 -2.242 1.00 0.00 H new ATOM 339 N ASN A 21 7.217 -13.350 -2.101 1.00 0.00 N ATOM 340 CA ASN A 21 6.035 -14.036 -2.600 1.00 0.00 C ATOM 341 C ASN A 21 6.422 -15.135 -3.582 1.00 0.00 C ATOM 342 O ASN A 21 7.142 -14.884 -4.554 1.00 0.00 O ATOM 343 CB ASN A 21 5.090 -13.044 -3.280 1.00 0.00 C ATOM 344 CG ASN A 21 3.743 -13.656 -3.603 1.00 0.00 C ATOM 345 OD1 ASN A 21 3.229 -14.486 -2.853 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.169 -13.260 -4.724 1.00 0.00 N ATOM 0 H ASN A 21 7.507 -12.546 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 21 5.524 -14.490 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.947 -12.180 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.550 -12.680 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.265 -13.644 -4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.630 -12.570 -5.317 1.00 0.00 H new ATOM 353 N GLU A 22 5.955 -16.354 -3.299 1.00 0.00 N ATOM 354 CA GLU A 22 6.180 -17.519 -4.161 1.00 0.00 C ATOM 355 C GLU A 22 7.669 -17.797 -4.376 1.00 0.00 C ATOM 356 O GLU A 22 8.041 -18.497 -5.319 1.00 0.00 O ATOM 357 CB GLU A 22 5.486 -17.330 -5.511 1.00 0.00 C ATOM 358 CG GLU A 22 3.973 -17.226 -5.405 1.00 0.00 C ATOM 359 CD GLU A 22 3.294 -17.252 -6.756 1.00 0.00 C ATOM 360 OE1 GLU A 22 3.148 -18.354 -7.330 1.00 0.00 O ATOM 361 OE2 GLU A 22 2.909 -16.178 -7.258 1.00 0.00 O ATOM 0 H GLU A 22 5.409 -16.562 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 22 5.751 -18.382 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.872 -16.428 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.740 -18.167 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.597 -18.049 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.711 -16.303 -4.888 1.00 0.00 H new ATOM 368 N LYS A 23 8.496 -17.276 -3.471 1.00 0.00 N ATOM 369 CA LYS A 23 9.949 -17.398 -3.564 1.00 0.00 C ATOM 370 C LYS A 23 10.462 -16.858 -4.900 1.00 0.00 C ATOM 371 O LYS A 23 10.653 -17.603 -5.862 1.00 0.00 O ATOM 372 CB LYS A 23 10.399 -18.850 -3.362 1.00 0.00 C ATOM 373 CG LYS A 23 11.910 -19.021 -3.347 1.00 0.00 C ATOM 374 CD LYS A 23 12.315 -20.460 -3.074 1.00 0.00 C ATOM 375 CE LYS A 23 13.828 -20.616 -3.032 1.00 0.00 C ATOM 376 NZ LYS A 23 14.454 -19.758 -1.988 1.00 0.00 N ATOM 0 H LYS A 23 8.177 -16.757 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 23 10.380 -16.796 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.990 -19.221 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.980 -19.466 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.321 -18.704 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.341 -18.372 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.888 -20.785 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.903 -21.108 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.079 -21.659 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.245 -20.362 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.436 -20.063 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.445 -18.767 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.919 -19.844 -1.101 1.00 0.00 H new ATOM 390 N GLY A 24 10.662 -15.552 -4.960 1.00 0.00 N ATOM 391 CA GLY A 24 11.152 -14.937 -6.174 1.00 0.00 C ATOM 392 C GLY A 24 10.646 -13.520 -6.333 1.00 0.00 C ATOM 393 O GLY A 24 11.431 -12.597 -6.551 1.00 0.00 O ATOM 0 H GLY A 24 10.494 -14.906 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.242 -14.934 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.842 -15.532 -7.033 1.00 0.00 H new ATOM 397 N TRP A 25 9.337 -13.348 -6.208 1.00 0.00 N ATOM 398 CA TRP A 25 8.728 -12.029 -6.303 1.00 0.00 C ATOM 399 C TRP A 25 8.746 -11.348 -4.943 1.00 0.00 C ATOM 400 O TRP A 25 7.902 -11.623 -4.092 1.00 0.00 O ATOM 401 CB TRP A 25 7.283 -12.125 -6.809 1.00 0.00 C ATOM 402 CG TRP A 25 7.158 -12.362 -8.285 1.00 0.00 C ATOM 403 CD1 TRP A 25 7.599 -13.443 -8.993 1.00 0.00 C ATOM 404 CD2 TRP A 25 6.523 -11.495 -9.234 1.00 0.00 C ATOM 405 NE1 TRP A 25 7.286 -13.296 -10.324 1.00 0.00 N ATOM 406 CE2 TRP A 25 6.624 -12.110 -10.497 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.883 -10.260 -9.136 1.00 0.00 C ATOM 408 CZ2 TRP A 25 6.102 -11.527 -11.653 1.00 0.00 C ATOM 409 CZ3 TRP A 25 5.366 -9.683 -10.280 1.00 0.00 C ATOM 410 CH2 TRP A 25 5.478 -10.316 -11.525 1.00 0.00 C ATOM 0 H TRP A 25 8.676 -14.107 -6.040 1.00 0.00 H new ATOM 0 HA TRP A 25 9.307 -11.440 -7.015 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.778 -12.933 -6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.760 -11.203 -6.556 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.118 -14.290 -8.569 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.511 -13.963 -11.063 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.793 -9.763 -8.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.188 -12.014 -12.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.867 -8.728 -10.213 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.064 -9.839 -12.401 1.00 0.00 H new ATOM 421 N THR A 26 9.716 -10.484 -4.720 1.00 0.00 N ATOM 422 CA THR A 26 9.824 -9.808 -3.442 1.00 0.00 C ATOM 423 C THR A 26 8.991 -8.532 -3.429 1.00 0.00 C ATOM 424 O THR A 26 8.987 -7.770 -4.396 1.00 0.00 O ATOM 425 CB THR A 26 11.291 -9.484 -3.119 1.00 0.00 C ATOM 426 OG1 THR A 26 12.014 -9.271 -4.335 1.00 0.00 O ATOM 427 CG2 THR A 26 11.935 -10.612 -2.329 1.00 0.00 C ATOM 0 H THR A 26 10.435 -10.235 -5.400 1.00 0.00 H new ATOM 0 HA THR A 26 9.438 -10.481 -2.676 1.00 0.00 H new ATOM 0 HB THR A 26 11.320 -8.580 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.457 -8.398 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.973 -10.358 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.394 -10.756 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.900 -11.531 -2.913 1.00 0.00 H new ATOM 435 N LYS A 27 8.295 -8.309 -2.327 1.00 0.00 N ATOM 436 CA LYS A 27 7.414 -7.160 -2.191 1.00 0.00 C ATOM 437 C LYS A 27 7.966 -6.207 -1.145 1.00 0.00 C ATOM 438 O LYS A 27 8.318 -6.628 -0.040 1.00 0.00 O ATOM 439 CB LYS A 27 6.015 -7.629 -1.784 1.00 0.00 C ATOM 440 CG LYS A 27 4.975 -6.519 -1.764 1.00 0.00 C ATOM 441 CD LYS A 27 3.650 -7.000 -1.191 1.00 0.00 C ATOM 442 CE LYS A 27 3.089 -8.181 -1.968 1.00 0.00 C ATOM 443 NZ LYS A 27 1.807 -8.665 -1.385 1.00 0.00 N ATOM 0 H LYS A 27 8.324 -8.914 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 27 7.353 -6.639 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.688 -8.407 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.068 -8.082 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.346 -5.683 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.820 -6.147 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.788 -7.285 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.930 -6.182 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.930 -7.891 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.816 -8.993 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.710 -9.686 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.802 -8.486 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.012 -8.161 -1.828 1.00 0.00 H new ATOM 457 N GLU A 28 8.036 -4.930 -1.484 1.00 0.00 N ATOM 458 CA GLU A 28 8.587 -3.941 -0.576 1.00 0.00 C ATOM 459 C GLU A 28 7.915 -2.584 -0.753 1.00 0.00 C ATOM 460 O GLU A 28 7.090 -2.389 -1.648 1.00 0.00 O ATOM 461 CB GLU A 28 10.099 -3.807 -0.788 1.00 0.00 C ATOM 462 CG GLU A 28 10.489 -3.349 -2.183 1.00 0.00 C ATOM 463 CD GLU A 28 11.982 -3.154 -2.328 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.702 -4.159 -2.478 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.445 -1.993 -2.284 1.00 0.00 O ATOM 0 H GLU A 28 7.719 -4.556 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 28 8.395 -4.283 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.496 -3.100 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.570 -4.769 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.149 -4.084 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.979 -2.413 -2.411 1.00 0.00 H new ATOM 472 N ILE A 29 8.274 -1.661 0.122 1.00 0.00 N ATOM 473 CA ILE A 29 7.789 -0.296 0.064 1.00 0.00 C ATOM 474 C ILE A 29 8.983 0.644 -0.013 1.00 0.00 C ATOM 475 O ILE A 29 9.857 0.614 0.856 1.00 0.00 O ATOM 476 CB ILE A 29 6.940 0.057 1.308 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.789 -0.942 1.466 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.397 1.476 1.189 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.962 -0.731 2.718 1.00 0.00 C ATOM 0 H ILE A 29 8.914 -1.840 0.896 1.00 0.00 H new ATOM 0 HA ILE A 29 7.156 -0.190 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 29 7.574 -0.001 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.137 -0.871 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.197 -1.953 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.801 1.713 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.227 2.178 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.774 1.554 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.167 -1.476 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.600 -0.832 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.523 0.267 2.700 1.00 0.00 H new ATOM 491 N ASN A 30 9.035 1.459 -1.050 1.00 0.00 N ATOM 492 CA ASN A 30 10.168 2.349 -1.247 1.00 0.00 C ATOM 493 C ASN A 30 9.732 3.643 -1.929 1.00 0.00 C ATOM 494 O ASN A 30 8.539 3.872 -2.136 1.00 0.00 O ATOM 495 CB ASN A 30 11.269 1.637 -2.053 1.00 0.00 C ATOM 496 CG ASN A 30 10.811 1.138 -3.415 1.00 0.00 C ATOM 497 OD1 ASN A 30 10.053 1.797 -4.119 1.00 0.00 O ATOM 498 ND2 ASN A 30 11.253 -0.054 -3.783 1.00 0.00 N ATOM 0 H ASN A 30 8.312 1.525 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 30 10.576 2.614 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.106 2.322 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.641 0.792 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.964 -0.451 -4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.883 -0.575 -3.173 1.00 0.00 H new ATOM 505 N ARG A 31 10.694 4.497 -2.243 1.00 0.00 N ATOM 506 CA ARG A 31 10.410 5.750 -2.926 1.00 0.00 C ATOM 507 C ARG A 31 11.016 5.747 -4.318 1.00 0.00 C ATOM 508 O ARG A 31 12.234 5.629 -4.477 1.00 0.00 O ATOM 509 CB ARG A 31 10.938 6.943 -2.127 1.00 0.00 C ATOM 510 CG ARG A 31 10.087 7.291 -0.918 1.00 0.00 C ATOM 511 CD ARG A 31 10.697 8.424 -0.111 1.00 0.00 C ATOM 512 NE ARG A 31 10.939 9.620 -0.917 1.00 0.00 N ATOM 513 CZ ARG A 31 11.940 10.473 -0.691 1.00 0.00 C ATOM 514 NH1 ARG A 31 12.736 10.301 0.356 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.132 11.508 -1.499 1.00 0.00 N ATOM 0 H ARG A 31 11.681 4.345 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 31 9.328 5.846 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.954 6.727 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.995 7.812 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.087 7.575 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.977 6.411 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.032 8.675 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.637 8.089 0.327 1.00 0.00 H new ATOM 0 HE ARG A 31 10.308 9.813 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.583 9.516 0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.501 10.954 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.513 11.654 -2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.898 12.158 -1.322 1.00 0.00 H new ATOM 529 N VAL A 32 10.159 5.883 -5.315 1.00 0.00 N ATOM 530 CA VAL A 32 10.586 5.855 -6.700 1.00 0.00 C ATOM 531 C VAL A 32 10.672 7.269 -7.270 1.00 0.00 C ATOM 532 O VAL A 32 9.707 8.038 -7.216 1.00 0.00 O ATOM 533 CB VAL A 32 9.635 5.002 -7.566 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.084 5.000 -9.015 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.557 3.580 -7.036 1.00 0.00 C ATOM 0 H VAL A 32 9.156 6.015 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 32 11.576 5.400 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 32 8.641 5.446 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.399 4.393 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.086 6.021 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.089 4.585 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.881 2.995 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.549 3.130 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.184 3.593 -6.012 1.00 0.00 H new ATOM 545 N SER A 33 11.843 7.607 -7.788 1.00 0.00 N ATOM 546 CA SER A 33 12.077 8.896 -8.409 1.00 0.00 C ATOM 547 C SER A 33 11.753 8.818 -9.900 1.00 0.00 C ATOM 548 O SER A 33 12.416 8.099 -10.650 1.00 0.00 O ATOM 549 CB SER A 33 13.538 9.299 -8.200 1.00 0.00 C ATOM 550 OG SER A 33 13.952 8.991 -6.879 1.00 0.00 O ATOM 0 H SER A 33 12.657 6.992 -7.788 1.00 0.00 H new ATOM 0 HA SER A 33 11.432 9.647 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.172 8.778 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.658 10.366 -8.386 1.00 0.00 H new ATOM 0 HG SER A 33 14.369 9.780 -6.475 1.00 0.00 H new ATOM 556 N PHE A 34 10.720 9.533 -10.317 1.00 0.00 N ATOM 557 CA PHE A 34 10.282 9.500 -11.704 1.00 0.00 C ATOM 558 C PHE A 34 10.946 10.599 -12.525 1.00 0.00 C ATOM 559 O PHE A 34 10.682 11.786 -12.314 1.00 0.00 O ATOM 560 CB PHE A 34 8.761 9.633 -11.778 1.00 0.00 C ATOM 561 CG PHE A 34 8.027 8.480 -11.155 1.00 0.00 C ATOM 562 CD1 PHE A 34 7.860 7.292 -11.850 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.497 8.583 -9.879 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.184 6.230 -11.283 1.00 0.00 C ATOM 565 CE2 PHE A 34 6.819 7.523 -9.307 1.00 0.00 C ATOM 566 CZ PHE A 34 6.661 6.345 -10.011 1.00 0.00 C ATOM 0 H PHE A 34 10.169 10.144 -9.714 1.00 0.00 H new ATOM 0 HA PHE A 34 10.580 8.541 -12.127 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.460 10.556 -11.281 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.462 9.721 -12.823 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.264 7.196 -12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.615 9.502 -9.325 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.064 5.309 -11.835 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.413 7.616 -8.310 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.130 5.516 -9.567 1.00 0.00 H new ATOM 576 N ASN A 35 11.807 10.179 -13.454 1.00 0.00 N ATOM 577 CA ASN A 35 12.521 11.077 -14.376 1.00 0.00 C ATOM 578 C ASN A 35 13.557 11.935 -13.645 1.00 0.00 C ATOM 579 O ASN A 35 14.756 11.828 -13.904 1.00 0.00 O ATOM 580 CB ASN A 35 11.538 11.958 -15.157 1.00 0.00 C ATOM 581 CG ASN A 35 12.230 12.841 -16.180 1.00 0.00 C ATOM 582 OD1 ASN A 35 12.580 13.985 -15.897 1.00 0.00 O ATOM 583 ND2 ASN A 35 12.436 12.315 -17.383 1.00 0.00 N ATOM 0 H ASN A 35 12.034 9.194 -13.592 1.00 0.00 H new ATOM 0 HA ASN A 35 13.058 10.450 -15.087 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.811 11.323 -15.663 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.983 12.584 -14.458 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.898 12.864 -18.107 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.132 11.362 -17.582 1.00 0.00 H new ATOM 590 N GLY A 36 13.089 12.788 -12.747 1.00 0.00 N ATOM 591 CA GLY A 36 13.985 13.581 -11.932 1.00 0.00 C ATOM 592 C GLY A 36 14.167 12.952 -10.570 1.00 0.00 C ATOM 593 O GLY A 36 14.372 11.744 -10.463 1.00 0.00 O ATOM 0 H GLY A 36 12.097 12.946 -12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.951 13.672 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.587 14.590 -11.822 1.00 0.00 H new ATOM 597 N ALA A 37 14.071 13.755 -9.523 1.00 0.00 N ATOM 598 CA ALA A 37 14.120 13.230 -8.168 1.00 0.00 C ATOM 599 C ALA A 37 12.937 13.717 -7.326 1.00 0.00 C ATOM 600 O ALA A 37 13.120 14.428 -6.337 1.00 0.00 O ATOM 601 CB ALA A 37 15.436 13.601 -7.507 1.00 0.00 C ATOM 0 H ALA A 37 13.959 14.767 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 37 14.049 12.144 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 37 15.459 13.202 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.262 13.182 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.532 14.686 -7.472 1.00 0.00 H new ATOM 607 N PRO A 38 11.698 13.372 -7.723 1.00 0.00 N ATOM 608 CA PRO A 38 10.503 13.628 -6.948 1.00 0.00 C ATOM 609 C PRO A 38 9.994 12.343 -6.302 1.00 0.00 C ATOM 610 O PRO A 38 8.798 12.048 -6.351 1.00 0.00 O ATOM 611 CB PRO A 38 9.541 14.095 -8.040 1.00 0.00 C ATOM 612 CG PRO A 38 9.969 13.362 -9.282 1.00 0.00 C ATOM 613 CD PRO A 38 11.323 12.744 -8.992 1.00 0.00 C ATOM 0 HA PRO A 38 10.639 14.335 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.508 13.862 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.598 15.174 -8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.243 12.593 -9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.031 14.044 -10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.263 11.659 -8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.044 12.961 -9.780 1.00 0.00 H new ATOM 621 N ALA A 39 10.918 11.598 -5.694 1.00 0.00 N ATOM 622 CA ALA A 39 10.651 10.247 -5.211 1.00 0.00 C ATOM 623 C ALA A 39 9.431 10.181 -4.308 1.00 0.00 C ATOM 624 O ALA A 39 9.459 10.630 -3.155 1.00 0.00 O ATOM 625 CB ALA A 39 11.863 9.691 -4.486 1.00 0.00 C ATOM 0 H ALA A 39 11.872 11.916 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 39 10.440 9.636 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.645 8.683 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.713 9.661 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.103 10.329 -3.636 1.00 0.00 H new ATOM 631 N LYS A 40 8.366 9.618 -4.845 1.00 0.00 N ATOM 632 CA LYS A 40 7.144 9.418 -4.096 1.00 0.00 C ATOM 633 C LYS A 40 7.081 7.982 -3.613 1.00 0.00 C ATOM 634 O LYS A 40 7.910 7.157 -3.995 1.00 0.00 O ATOM 635 CB LYS A 40 5.921 9.764 -4.950 1.00 0.00 C ATOM 636 CG LYS A 40 5.772 11.255 -5.204 1.00 0.00 C ATOM 637 CD LYS A 40 4.625 11.554 -6.154 1.00 0.00 C ATOM 638 CE LYS A 40 4.371 13.049 -6.271 1.00 0.00 C ATOM 639 NZ LYS A 40 5.582 13.799 -6.695 1.00 0.00 N ATOM 0 H LYS A 40 8.325 9.288 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 40 7.139 10.083 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.994 9.245 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.023 9.395 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.604 11.770 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.700 11.647 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.851 11.144 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.721 11.057 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.569 13.223 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.028 13.433 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.327 14.788 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.293 13.769 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.975 13.366 -7.555 1.00 0.00 H new ATOM 653 N PHE A 41 6.106 7.685 -2.779 1.00 0.00 N ATOM 654 CA PHE A 41 6.014 6.376 -2.164 1.00 0.00 C ATOM 655 C PHE A 41 5.355 5.390 -3.118 1.00 0.00 C ATOM 656 O PHE A 41 4.279 5.653 -3.650 1.00 0.00 O ATOM 657 CB PHE A 41 5.228 6.477 -0.857 1.00 0.00 C ATOM 658 CG PHE A 41 5.751 7.539 0.069 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.816 7.278 0.915 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.178 8.802 0.089 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.303 8.254 1.760 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.660 9.782 0.935 1.00 0.00 C ATOM 663 CZ PHE A 41 6.723 9.507 1.773 1.00 0.00 C ATOM 0 H PHE A 41 5.365 8.333 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 41 7.017 6.011 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.183 6.686 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.257 5.514 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.271 6.298 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.346 9.022 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.137 8.038 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.206 10.762 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.100 10.271 2.437 1.00 0.00 H new ATOM 673 N ASP A 42 6.014 4.268 -3.343 1.00 0.00 N ATOM 674 CA ASP A 42 5.512 3.263 -4.265 1.00 0.00 C ATOM 675 C ASP A 42 5.546 1.886 -3.609 1.00 0.00 C ATOM 676 O ASP A 42 6.604 1.408 -3.194 1.00 0.00 O ATOM 677 CB ASP A 42 6.351 3.271 -5.548 1.00 0.00 C ATOM 678 CG ASP A 42 5.783 2.389 -6.647 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.949 1.158 -6.578 1.00 0.00 O ATOM 680 OD2 ASP A 42 5.201 2.927 -7.612 1.00 0.00 O ATOM 0 H ASP A 42 6.901 4.028 -2.899 1.00 0.00 H new ATOM 0 HA ASP A 42 4.479 3.495 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.428 4.294 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.363 2.940 -5.314 1.00 0.00 H new ATOM 685 N ILE A 43 4.382 1.272 -3.477 1.00 0.00 N ATOM 686 CA ILE A 43 4.291 -0.071 -2.927 1.00 0.00 C ATOM 687 C ILE A 43 4.270 -1.070 -4.070 1.00 0.00 C ATOM 688 O ILE A 43 3.308 -1.119 -4.841 1.00 0.00 O ATOM 689 CB ILE A 43 3.030 -0.251 -2.053 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.975 0.829 -0.966 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.014 -1.643 -1.429 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.740 0.753 -0.089 1.00 0.00 C ATOM 0 H ILE A 43 3.487 1.682 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 43 5.158 -0.239 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 43 2.148 -0.146 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.861 0.744 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.013 1.810 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.120 -1.757 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.011 -2.395 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.900 -1.773 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.773 1.549 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.848 0.869 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.710 -0.213 0.414 1.00 0.00 H new ATOM 704 N ARG A 44 5.327 -1.857 -4.187 1.00 0.00 N ATOM 705 CA ARG A 44 5.512 -2.686 -5.364 1.00 0.00 C ATOM 706 C ARG A 44 6.169 -4.015 -5.031 1.00 0.00 C ATOM 707 O ARG A 44 6.742 -4.198 -3.956 1.00 0.00 O ATOM 708 CB ARG A 44 6.375 -1.933 -6.375 1.00 0.00 C ATOM 709 CG ARG A 44 7.769 -1.607 -5.855 1.00 0.00 C ATOM 710 CD ARG A 44 8.453 -0.541 -6.697 1.00 0.00 C ATOM 711 NE ARG A 44 8.630 -0.948 -8.094 1.00 0.00 N ATOM 712 CZ ARG A 44 8.067 -0.309 -9.123 1.00 0.00 C ATOM 713 NH1 ARG A 44 7.188 0.660 -8.900 1.00 0.00 N ATOM 714 NH2 ARG A 44 8.347 -0.668 -10.373 1.00 0.00 N ATOM 0 H ARG A 44 6.064 -1.938 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 44 4.528 -2.900 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.464 -2.531 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.872 -1.006 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.701 -1.265 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.376 -2.512 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.865 0.376 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.427 -0.312 -6.264 1.00 0.00 H new ATOM 0 HE ARG A 44 9.213 -1.761 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.943 0.916 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.757 1.149 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.995 -1.435 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.914 -0.176 -11.154 1.00 0.00 H new ATOM 728 N ALA A 45 6.075 -4.940 -5.972 1.00 0.00 N ATOM 729 CA ALA A 45 6.769 -6.207 -5.887 1.00 0.00 C ATOM 730 C ALA A 45 7.590 -6.402 -7.150 1.00 0.00 C ATOM 731 O ALA A 45 7.063 -6.275 -8.256 1.00 0.00 O ATOM 732 CB ALA A 45 5.778 -7.349 -5.711 1.00 0.00 C ATOM 0 H ALA A 45 5.513 -4.830 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 45 7.430 -6.204 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.319 -8.294 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.207 -7.197 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.098 -7.375 -6.563 1.00 0.00 H new ATOM 738 N TRP A 46 8.872 -6.682 -6.996 1.00 0.00 N ATOM 739 CA TRP A 46 9.739 -6.835 -8.150 1.00 0.00 C ATOM 740 C TRP A 46 10.128 -8.291 -8.354 1.00 0.00 C ATOM 741 O TRP A 46 10.256 -9.063 -7.399 1.00 0.00 O ATOM 742 CB TRP A 46 10.976 -5.928 -8.060 1.00 0.00 C ATOM 743 CG TRP A 46 11.759 -6.028 -6.782 1.00 0.00 C ATOM 744 CD1 TRP A 46 11.524 -5.347 -5.622 1.00 0.00 C ATOM 745 CD2 TRP A 46 12.921 -6.831 -6.545 1.00 0.00 C ATOM 746 NE1 TRP A 46 12.465 -5.679 -4.680 1.00 0.00 N ATOM 747 CE2 TRP A 46 13.333 -6.587 -5.221 1.00 0.00 C ATOM 748 CE3 TRP A 46 13.655 -7.731 -7.324 1.00 0.00 C ATOM 749 CZ2 TRP A 46 14.441 -7.217 -4.661 1.00 0.00 C ATOM 750 CZ3 TRP A 46 14.754 -8.354 -6.766 1.00 0.00 C ATOM 751 CH2 TRP A 46 15.139 -8.092 -5.446 1.00 0.00 C ATOM 0 H TRP A 46 9.332 -6.807 -6.094 1.00 0.00 H new ATOM 0 HA TRP A 46 9.174 -6.516 -9.026 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.640 -6.164 -8.892 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.657 -4.894 -8.190 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.715 -4.648 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 46 12.510 -5.309 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.367 -7.935 -8.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 14.739 -7.021 -3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.325 -9.054 -7.357 1.00 0.00 H new ATOM 0 HH2 TRP A 46 16.006 -8.592 -5.039 1.00 0.00 H new ATOM 762 N SER A 47 10.289 -8.653 -9.613 1.00 0.00 N ATOM 763 CA SER A 47 10.545 -10.024 -10.006 1.00 0.00 C ATOM 764 C SER A 47 12.043 -10.317 -10.015 1.00 0.00 C ATOM 765 O SER A 47 12.855 -9.392 -10.051 1.00 0.00 O ATOM 766 CB SER A 47 9.960 -10.242 -11.399 1.00 0.00 C ATOM 767 OG SER A 47 8.672 -9.657 -11.493 1.00 0.00 O ATOM 0 H SER A 47 10.245 -8.000 -10.395 1.00 0.00 H new ATOM 0 HA SER A 47 10.079 -10.701 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.620 -9.806 -12.149 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.898 -11.309 -11.611 1.00 0.00 H new ATOM 0 HG SER A 47 7.989 -10.355 -11.415 1.00 0.00 H new ATOM 877 N LYS A 55 1.582 -5.677 -10.112 1.00 0.00 N ATOM 878 CA LYS A 55 0.501 -4.968 -9.456 1.00 0.00 C ATOM 879 C LYS A 55 1.042 -4.172 -8.275 1.00 0.00 C ATOM 880 O LYS A 55 1.303 -4.722 -7.204 1.00 0.00 O ATOM 881 CB LYS A 55 -0.606 -5.932 -9.010 1.00 0.00 C ATOM 882 CG LYS A 55 -1.334 -6.596 -10.170 1.00 0.00 C ATOM 883 CD LYS A 55 -2.586 -7.330 -9.711 1.00 0.00 C ATOM 884 CE LYS A 55 -3.312 -7.975 -10.883 1.00 0.00 C ATOM 885 NZ LYS A 55 -4.602 -8.600 -10.474 1.00 0.00 N ATOM 0 HA LYS A 55 0.059 -4.274 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.171 -6.703 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.328 -5.387 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.606 -5.841 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.663 -7.298 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.315 -8.095 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.254 -6.632 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.502 -7.223 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.670 -8.733 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.060 -9.026 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.421 -9.337 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.227 -7.874 -10.069 1.00 0.00 H new ATOM 899 N GLY A 56 1.248 -2.885 -8.505 1.00 0.00 N ATOM 900 CA GLY A 56 1.716 -1.993 -7.469 1.00 0.00 C ATOM 901 C GLY A 56 0.993 -0.669 -7.542 1.00 0.00 C ATOM 902 O GLY A 56 0.230 -0.435 -8.482 1.00 0.00 O ATOM 0 H GLY A 56 1.096 -2.437 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.557 -2.447 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.789 -1.834 -7.576 1.00 0.00 H new ATOM 906 N ILE A 57 1.217 0.203 -6.573 1.00 0.00 N ATOM 907 CA ILE A 57 0.497 1.467 -6.537 1.00 0.00 C ATOM 908 C ILE A 57 1.331 2.586 -5.912 1.00 0.00 C ATOM 909 O ILE A 57 2.094 2.365 -4.968 1.00 0.00 O ATOM 910 CB ILE A 57 -0.844 1.312 -5.783 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.702 2.569 -5.941 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.608 1.010 -4.306 1.00 0.00 C ATOM 913 CD1 ILE A 57 -3.110 2.396 -5.426 1.00 0.00 C ATOM 0 H ILE A 57 1.881 0.064 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 57 0.292 1.748 -7.570 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.380 0.470 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.227 3.394 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.739 2.846 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.567 0.906 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.044 0.082 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.045 1.826 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.666 3.323 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.601 1.591 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.081 2.148 -4.365 1.00 0.00 H new ATOM 925 N THR A 58 1.186 3.786 -6.461 1.00 0.00 N ATOM 926 CA THR A 58 1.885 4.957 -5.964 1.00 0.00 C ATOM 927 C THR A 58 1.042 5.702 -4.932 1.00 0.00 C ATOM 928 O THR A 58 -0.182 5.784 -5.054 1.00 0.00 O ATOM 929 CB THR A 58 2.234 5.918 -7.116 1.00 0.00 C ATOM 930 OG1 THR A 58 1.094 6.088 -7.976 1.00 0.00 O ATOM 931 CG2 THR A 58 3.410 5.398 -7.926 1.00 0.00 C ATOM 0 H THR A 58 0.581 3.971 -7.261 1.00 0.00 H new ATOM 0 HA THR A 58 2.804 4.610 -5.492 1.00 0.00 H new ATOM 0 HB THR A 58 2.512 6.878 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.323 6.702 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.634 6.097 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.282 5.299 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.159 4.425 -8.348 1.00 0.00 H new ATOM 939 N LEU A 59 1.701 6.236 -3.916 1.00 0.00 N ATOM 940 CA LEU A 59 1.034 7.025 -2.895 1.00 0.00 C ATOM 941 C LEU A 59 1.746 8.360 -2.720 1.00 0.00 C ATOM 942 O LEU A 59 2.970 8.409 -2.577 1.00 0.00 O ATOM 943 CB LEU A 59 1.008 6.267 -1.562 1.00 0.00 C ATOM 944 CG LEU A 59 0.284 4.917 -1.586 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.378 4.239 -0.232 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.171 5.097 -1.981 1.00 0.00 C ATOM 0 H LEU A 59 2.706 6.135 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 59 0.007 7.207 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.035 6.103 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.534 6.901 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 59 0.770 4.284 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.142 3.282 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.425 4.074 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.082 4.874 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.668 4.127 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.665 5.749 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.226 5.544 -2.974 1.00 0.00 H new ATOM 958 N SER A 60 0.985 9.442 -2.757 1.00 0.00 N ATOM 959 CA SER A 60 1.542 10.760 -2.527 1.00 0.00 C ATOM 960 C SER A 60 1.761 10.965 -1.031 1.00 0.00 C ATOM 961 O SER A 60 1.316 10.151 -0.220 1.00 0.00 O ATOM 962 CB SER A 60 0.610 11.837 -3.088 1.00 0.00 C ATOM 963 OG SER A 60 1.230 13.111 -3.069 1.00 0.00 O ATOM 0 H SER A 60 -0.018 9.431 -2.944 1.00 0.00 H new ATOM 0 HA SER A 60 2.500 10.841 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.328 11.582 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.309 11.868 -2.502 1.00 0.00 H new ATOM 0 HG SER A 60 0.614 13.780 -3.434 1.00 0.00 H new ATOM 969 N ASN A 61 2.435 12.051 -0.667 1.00 0.00 N ATOM 970 CA ASN A 61 2.798 12.299 0.728 1.00 0.00 C ATOM 971 C ASN A 61 1.556 12.347 1.611 1.00 0.00 C ATOM 972 O ASN A 61 1.530 11.765 2.695 1.00 0.00 O ATOM 973 CB ASN A 61 3.590 13.606 0.865 1.00 0.00 C ATOM 974 CG ASN A 61 4.787 13.666 -0.063 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.852 13.121 0.234 1.00 0.00 O ATOM 976 ND2 ASN A 61 4.632 14.351 -1.187 1.00 0.00 N ATOM 0 H ASN A 61 2.742 12.775 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 61 3.430 11.474 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.931 14.449 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.929 13.714 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.410 14.441 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.735 14.788 -1.398 1.00 0.00 H new ATOM 983 N GLU A 62 0.517 13.017 1.119 1.00 0.00 N ATOM 984 CA GLU A 62 -0.735 13.151 1.857 1.00 0.00 C ATOM 985 C GLU A 62 -1.365 11.781 2.080 1.00 0.00 C ATOM 986 O GLU A 62 -1.677 11.393 3.206 1.00 0.00 O ATOM 987 CB GLU A 62 -1.731 14.031 1.088 1.00 0.00 C ATOM 988 CG GLU A 62 -1.112 15.221 0.370 1.00 0.00 C ATOM 989 CD GLU A 62 -0.261 16.081 1.274 1.00 0.00 C ATOM 990 OE1 GLU A 62 -0.816 16.727 2.185 1.00 0.00 O ATOM 991 OE2 GLU A 62 0.970 16.106 1.078 1.00 0.00 O ATOM 0 H GLU A 62 0.518 13.477 0.209 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.507 13.616 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.250 13.413 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.484 14.398 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.502 14.861 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.906 15.831 -0.060 1.00 0.00 H new ATOM 998 N GLU A 63 -1.533 11.056 0.984 1.00 0.00 N ATOM 999 CA GLU A 63 -2.197 9.758 0.989 1.00 0.00 C ATOM 1000 C GLU A 63 -1.433 8.752 1.846 1.00 0.00 C ATOM 1001 O GLU A 63 -2.027 7.985 2.611 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.304 9.250 -0.449 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.790 10.314 -1.426 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.709 9.870 -2.870 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.620 9.429 -3.299 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.731 9.940 -3.581 1.00 0.00 O ATOM 0 H GLU A 63 -1.212 11.351 0.062 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.192 9.872 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.329 8.887 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.986 8.400 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.822 10.574 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.196 11.218 -1.296 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.114 8.781 1.726 1.00 0.00 N ATOM 1014 CA PHE A 64 0.751 7.856 2.443 1.00 0.00 C ATOM 1015 C PHE A 64 0.664 8.091 3.949 1.00 0.00 C ATOM 1016 O PHE A 64 0.556 7.144 4.726 1.00 0.00 O ATOM 1017 CB PHE A 64 2.191 8.021 1.963 1.00 0.00 C ATOM 1018 CG PHE A 64 3.091 6.876 2.320 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.030 5.692 1.610 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.004 6.986 3.355 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.862 4.638 1.920 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.841 5.933 3.672 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.768 4.757 2.953 1.00 0.00 C ATOM 0 H PHE A 64 0.385 9.443 1.132 1.00 0.00 H new ATOM 0 HA PHE A 64 0.420 6.838 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.190 8.144 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.601 8.937 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.321 5.591 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.063 7.904 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.805 3.720 1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.551 6.030 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.419 3.931 3.199 1.00 0.00 H new ATOM 1033 N GLN A 65 0.702 9.357 4.354 1.00 0.00 N ATOM 1034 CA GLN A 65 0.589 9.706 5.764 1.00 0.00 C ATOM 1035 C GLN A 65 -0.779 9.276 6.287 1.00 0.00 C ATOM 1036 O GLN A 65 -0.900 8.792 7.414 1.00 0.00 O ATOM 1037 CB GLN A 65 0.788 11.215 5.957 1.00 0.00 C ATOM 1038 CG GLN A 65 1.238 11.616 7.360 1.00 0.00 C ATOM 1039 CD GLN A 65 0.148 11.492 8.414 1.00 0.00 C ATOM 1040 OE1 GLN A 65 -1.037 11.678 8.134 1.00 0.00 O ATOM 1041 NE2 GLN A 65 0.546 11.171 9.637 1.00 0.00 N ATOM 0 H GLN A 65 0.810 10.155 3.727 1.00 0.00 H new ATOM 0 HA GLN A 65 1.365 9.186 6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.527 11.567 5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.148 11.725 5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.084 10.994 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.592 12.646 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.537 11.025 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.139 11.070 10.386 1.00 0.00 H new ATOM 1050 N THR A 66 -1.795 9.432 5.441 1.00 0.00 N ATOM 1051 CA THR A 66 -3.163 9.077 5.792 1.00 0.00 C ATOM 1052 C THR A 66 -3.250 7.638 6.302 1.00 0.00 C ATOM 1053 O THR A 66 -3.792 7.391 7.381 1.00 0.00 O ATOM 1054 CB THR A 66 -4.110 9.252 4.583 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.028 10.594 4.083 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.551 8.944 4.961 1.00 0.00 C ATOM 0 H THR A 66 -1.691 9.806 4.498 1.00 0.00 H new ATOM 0 HA THR A 66 -3.475 9.752 6.589 1.00 0.00 H new ATOM 0 HB THR A 66 -3.796 8.550 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.285 10.662 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.192 9.076 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.623 7.914 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.872 9.620 5.753 1.00 0.00 H new ATOM 1064 N MET A 67 -2.700 6.696 5.541 1.00 0.00 N ATOM 1065 CA MET A 67 -2.759 5.293 5.937 1.00 0.00 C ATOM 1066 C MET A 67 -1.945 5.051 7.209 1.00 0.00 C ATOM 1067 O MET A 67 -2.383 4.327 8.099 1.00 0.00 O ATOM 1068 CB MET A 67 -2.274 4.367 4.809 1.00 0.00 C ATOM 1069 CG MET A 67 -0.760 4.308 4.644 1.00 0.00 C ATOM 1070 SD MET A 67 -0.234 3.068 3.449 1.00 0.00 S ATOM 1071 CE MET A 67 1.520 2.998 3.800 1.00 0.00 C ATOM 0 H MET A 67 -2.216 6.874 4.661 1.00 0.00 H new ATOM 0 HA MET A 67 -3.803 5.056 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.645 3.360 4.999 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.716 4.698 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.395 5.286 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.302 4.092 5.609 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.043 2.551 2.954 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.898 4.006 3.968 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.689 2.394 4.691 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.774 5.684 7.298 1.00 0.00 N ATOM 1082 CA VAL A 68 0.107 5.516 8.450 1.00 0.00 C ATOM 1083 C VAL A 68 -0.610 5.893 9.737 1.00 0.00 C ATOM 1084 O VAL A 68 -0.665 5.099 10.673 1.00 0.00 O ATOM 1085 CB VAL A 68 1.402 6.346 8.300 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.219 6.333 9.588 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.230 5.808 7.145 1.00 0.00 C ATOM 0 H VAL A 68 -0.415 6.318 6.584 1.00 0.00 H new ATOM 0 HA VAL A 68 0.384 4.463 8.497 1.00 0.00 H new ATOM 0 HB VAL A 68 1.123 7.379 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.124 6.925 9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.627 6.757 10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.491 5.307 9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.141 6.398 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.491 4.767 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.653 5.873 6.223 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.194 7.087 9.762 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.890 7.577 10.952 1.00 0.00 C ATOM 1099 C ASP A 69 -3.106 6.712 11.267 1.00 0.00 C ATOM 1100 O ASP A 69 -3.298 6.272 12.409 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.318 9.035 10.759 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.066 9.586 11.959 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.411 10.090 12.897 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.315 9.518 11.969 1.00 0.00 O ATOM 0 H ASP A 69 -1.200 7.734 8.974 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.200 7.520 11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.436 9.647 10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.951 9.110 9.875 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.913 6.448 10.247 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.146 5.693 10.421 1.00 0.00 C ATOM 1111 C ALA A 70 -4.878 4.308 10.995 1.00 0.00 C ATOM 1112 O ALA A 70 -5.605 3.839 11.872 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.890 5.584 9.100 1.00 0.00 C ATOM 0 H ALA A 70 -3.734 6.747 9.288 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.768 6.233 11.135 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.809 5.017 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.133 6.582 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.262 5.074 8.369 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.824 3.662 10.511 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.502 2.309 10.941 1.00 0.00 C ATOM 1121 C PHE A 71 -2.725 2.285 12.255 1.00 0.00 C ATOM 1122 O PHE A 71 -2.919 1.380 13.064 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.721 1.560 9.862 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.538 1.248 8.641 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.774 0.630 8.760 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -3.080 1.584 7.378 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.533 0.353 7.642 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.838 1.313 6.258 1.00 0.00 C ATOM 1129 CZ PHE A 71 -5.064 0.697 6.389 1.00 0.00 C ATOM 0 H PHE A 71 -3.180 4.053 9.823 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.454 1.804 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.857 2.157 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.338 0.630 10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.146 0.363 9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.119 2.064 7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.492 -0.132 7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.471 1.583 5.279 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.658 0.483 5.512 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.851 3.266 12.477 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.045 3.289 13.698 1.00 0.00 C ATOM 1141 C LYS A 72 -1.931 3.413 14.934 1.00 0.00 C ATOM 1142 O LYS A 72 -1.570 2.949 16.017 1.00 0.00 O ATOM 1143 CB LYS A 72 0.019 4.405 13.663 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.510 5.834 13.553 1.00 0.00 C ATOM 1145 CD LYS A 72 -0.961 6.407 14.891 1.00 0.00 C ATOM 1146 CE LYS A 72 0.177 6.458 15.893 1.00 0.00 C ATOM 1147 NZ LYS A 72 -0.217 7.162 17.141 1.00 0.00 N ATOM 0 H LYS A 72 -1.684 4.044 11.839 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.513 2.339 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.623 4.331 14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.684 4.219 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.268 6.472 13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.347 5.853 12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.359 7.411 14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.772 5.799 15.292 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.495 5.444 16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.033 6.963 15.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.431 7.958 17.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.188 7.521 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.170 6.501 17.942 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.090 4.034 14.762 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.026 4.156 15.858 1.00 0.00 C ATOM 1163 C GLY A 73 -5.209 3.220 15.712 1.00 0.00 C ATOM 1164 O GLY A 73 -6.325 3.560 16.107 1.00 0.00 O ATOM 0 H GLY A 73 -3.397 4.454 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.513 3.945 16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.384 5.184 15.914 1.00 0.00 H new ATOM 1168 N ASN A 74 -4.973 2.041 15.139 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.047 1.073 14.927 1.00 0.00 C ATOM 1170 C ASN A 74 -5.503 -0.354 14.840 1.00 0.00 C ATOM 1171 O ASN A 74 -5.944 -1.238 15.575 1.00 0.00 O ATOM 1172 CB ASN A 74 -6.836 1.425 13.652 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.099 0.592 13.471 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -8.153 -0.583 13.826 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -9.137 1.207 12.925 1.00 0.00 N ATOM 0 H ASN A 74 -4.055 1.735 14.816 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.718 1.122 15.785 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.107 2.480 13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.191 1.286 12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.014 0.704 12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.060 2.184 12.641 1.00 0.00 H new ATOM 1182 N LEU A 75 -4.534 -0.571 13.959 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.060 -1.921 13.666 1.00 0.00 C ATOM 1184 C LEU A 75 -2.650 -2.162 14.218 1.00 0.00 C ATOM 1185 O LEU A 75 -1.862 -2.910 13.634 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.087 -2.162 12.147 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.832 -3.609 11.707 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.937 -4.527 12.199 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.692 -3.707 10.195 1.00 0.00 C ATOM 0 H LEU A 75 -4.062 0.166 13.436 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.728 -2.627 14.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.058 -1.849 11.764 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.339 -1.521 11.681 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.892 -3.931 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.734 -5.547 11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.980 -4.494 13.288 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.892 -4.199 11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.512 -4.744 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.609 -3.356 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.855 -3.091 9.866 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.326 -1.555 15.351 1.00 0.00 N ATOM 1202 CA GLU A 76 -1.046 -1.826 15.989 1.00 0.00 C ATOM 1203 C GLU A 76 -1.084 -3.191 16.665 1.00 0.00 C ATOM 1204 O GLU A 76 -1.555 -3.337 17.794 1.00 0.00 O ATOM 1205 CB GLU A 76 -0.659 -0.730 16.987 1.00 0.00 C ATOM 1206 CG GLU A 76 0.575 -1.063 17.818 1.00 0.00 C ATOM 1207 CD GLU A 76 0.933 0.023 18.817 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.023 0.555 19.485 1.00 0.00 O ATOM 1209 OE2 GLU A 76 2.134 0.362 18.928 1.00 0.00 O ATOM 0 H GLU A 76 -2.919 -0.884 15.840 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.278 -1.833 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.480 0.197 16.443 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.499 -0.549 17.657 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.404 -1.998 18.352 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.421 -1.227 17.151 1.00 0.00 H new ATOM 1451 N THR B 8 -14.850 -15.106 -8.411 1.00 0.00 N ATOM 1452 CA THR B 8 -15.696 -13.992 -8.024 1.00 0.00 C ATOM 1453 C THR B 8 -14.989 -13.134 -6.982 1.00 0.00 C ATOM 1454 O THR B 8 -14.660 -13.611 -5.898 1.00 0.00 O ATOM 1455 CB THR B 8 -17.042 -14.488 -7.457 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.667 -15.376 -8.393 1.00 0.00 O ATOM 1457 CG2 THR B 8 -17.978 -13.323 -7.163 1.00 0.00 C ATOM 0 HA THR B 8 -15.894 -13.395 -8.914 1.00 0.00 H new ATOM 0 HB THR B 8 -16.841 -15.015 -6.524 1.00 0.00 H new ATOM 0 HG1 THR B 8 -16.985 -15.936 -8.818 1.00 0.00 H new ATOM 0 HG21 THR B 8 -18.919 -13.704 -6.765 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.516 -12.660 -6.431 1.00 0.00 H new ATOM 0 HG23 THR B 8 -18.171 -12.770 -8.082 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.747 -11.875 -7.316 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.103 -10.962 -6.389 1.00 0.00 C ATOM 1467 C PHE B 9 -15.111 -9.945 -5.870 1.00 0.00 C ATOM 1468 O PHE B 9 -15.887 -9.377 -6.640 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.904 -10.260 -7.048 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.249 -9.421 -8.250 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -13.441 -10.005 -9.493 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -13.374 -8.045 -8.136 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -13.755 -9.235 -10.595 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -13.689 -7.271 -9.235 1.00 0.00 C ATOM 1475 CZ PHE B 9 -13.879 -7.865 -10.466 1.00 0.00 C ATOM 0 H PHE B 9 -14.987 -11.465 -8.219 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.724 -11.538 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.419 -9.626 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.177 -11.015 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -13.344 -11.075 -9.600 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -13.223 -7.573 -7.176 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -13.904 -9.703 -11.557 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -13.787 -6.200 -9.131 1.00 0.00 H new ATOM 0 HZ PHE B 9 -14.124 -7.260 -11.327 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.111 -9.739 -4.565 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.029 -8.800 -3.945 1.00 0.00 C ATOM 1487 C GLU B 10 -15.376 -8.147 -2.735 1.00 0.00 C ATOM 1488 O GLU B 10 -14.509 -8.742 -2.090 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.318 -9.517 -3.535 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.585 -8.799 -3.973 1.00 0.00 C ATOM 1491 CD GLU B 10 -18.748 -7.445 -3.318 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -18.156 -6.461 -3.814 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.462 -7.358 -2.301 1.00 0.00 O ATOM 0 H GLU B 10 -14.484 -10.210 -3.913 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.278 -8.022 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.315 -10.521 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.331 -9.629 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -18.571 -8.674 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -19.449 -9.419 -3.735 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.789 -6.924 -2.438 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.247 -6.186 -1.313 1.00 0.00 C ATOM 1502 C ILE B 11 -16.120 -6.389 -0.081 1.00 0.00 C ATOM 1503 O ILE B 11 -17.231 -5.864 0.003 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.147 -4.676 -1.614 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -14.376 -4.441 -2.914 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.474 -3.949 -0.458 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -14.352 -2.992 -3.349 1.00 0.00 C ATOM 0 H ILE B 11 -16.502 -6.421 -2.966 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.243 -6.569 -1.129 1.00 0.00 H new ATOM 0 HB ILE B 11 -16.155 -4.279 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -13.351 -4.791 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.823 -5.042 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.411 -2.885 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.058 -4.092 0.451 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.471 -4.349 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.788 -2.900 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.372 -2.643 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -13.878 -2.388 -2.576 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.609 -7.159 0.864 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.340 -7.472 2.086 1.00 0.00 C ATOM 1521 C GLU B 12 -16.283 -6.314 3.072 1.00 0.00 C ATOM 1522 O GLU B 12 -17.272 -5.983 3.721 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.753 -8.725 2.734 1.00 0.00 C ATOM 1524 CG GLU B 12 -16.020 -9.995 1.948 1.00 0.00 C ATOM 1525 CD GLU B 12 -17.470 -10.415 2.019 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -17.856 -11.038 3.030 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -18.229 -10.124 1.076 1.00 0.00 O ATOM 0 H GLU B 12 -14.683 -7.583 0.810 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.383 -7.648 1.822 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.676 -8.596 2.846 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.167 -8.834 3.736 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -15.738 -9.842 0.906 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -15.391 -10.798 2.333 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.119 -5.695 3.167 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.888 -4.660 4.158 1.00 0.00 C ATOM 1536 C GLU B 13 -13.889 -3.642 3.628 1.00 0.00 C ATOM 1537 O GLU B 13 -12.732 -3.975 3.386 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.348 -5.303 5.438 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.135 -4.337 6.588 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.351 -4.963 7.725 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -13.825 -5.961 8.303 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.243 -4.478 8.026 1.00 0.00 O ATOM 0 H GLU B 13 -14.317 -5.892 2.568 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.826 -4.148 4.373 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -15.041 -6.081 5.758 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.401 -5.792 5.212 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.606 -3.455 6.226 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.102 -3.998 6.959 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.332 -2.412 3.429 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.416 -1.360 3.018 1.00 0.00 C ATOM 1551 C HIS B 14 -13.003 -0.547 4.236 1.00 0.00 C ATOM 1552 O HIS B 14 -13.850 -0.064 4.987 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.014 -0.476 1.901 1.00 0.00 C ATOM 1554 CG HIS B 14 -15.165 0.408 2.291 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -15.218 1.743 1.958 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -16.319 0.141 2.942 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -16.352 2.259 2.388 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -17.044 1.308 2.988 1.00 0.00 N ATOM 0 H HIS B 14 -15.303 -2.120 3.543 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.525 -1.818 2.588 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -13.219 0.154 1.502 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -14.342 -1.126 1.090 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -14.492 2.254 1.456 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -16.617 -0.813 3.351 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -16.663 3.287 2.270 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.697 -0.437 4.441 1.00 0.00 N ATOM 1568 CA LEU B 15 -11.149 0.150 5.656 1.00 0.00 C ATOM 1569 C LEU B 15 -11.303 1.666 5.666 1.00 0.00 C ATOM 1570 O LEU B 15 -12.148 2.209 6.379 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.670 -0.227 5.794 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.395 -1.729 5.900 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.910 -2.013 5.757 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.900 -2.264 7.227 1.00 0.00 C ATOM 0 H LEU B 15 -10.992 -0.750 3.774 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.709 -0.247 6.503 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.128 0.167 4.934 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -9.266 0.265 6.679 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.925 -2.232 5.091 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.736 -3.086 5.835 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.564 -1.659 4.786 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.363 -1.498 6.547 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.698 -3.333 7.289 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.392 -1.751 8.043 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.974 -2.093 7.303 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.493 2.341 4.864 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.505 3.792 4.818 1.00 0.00 C ATOM 1588 C LEU B 16 -10.101 4.289 3.442 1.00 0.00 C ATOM 1589 O LEU B 16 -9.312 3.648 2.738 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.561 4.375 5.878 1.00 0.00 C ATOM 1591 CG LEU B 16 -8.097 3.933 5.772 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.186 5.135 5.589 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.691 3.144 7.006 1.00 0.00 C ATOM 0 H LEU B 16 -9.819 1.904 4.236 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.521 4.126 5.028 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.600 5.463 5.815 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.935 4.099 6.864 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.996 3.289 4.898 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.151 4.800 5.516 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.461 5.665 4.677 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.291 5.804 6.443 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.649 2.837 6.915 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.810 3.768 7.892 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -8.323 2.260 7.097 1.00 0.00 H new ATOM 1605 N THR B 17 -10.652 5.425 3.066 1.00 0.00 N ATOM 1606 CA THR B 17 -10.300 6.065 1.820 1.00 0.00 C ATOM 1607 C THR B 17 -9.072 6.942 2.027 1.00 0.00 C ATOM 1608 O THR B 17 -9.082 7.840 2.870 1.00 0.00 O ATOM 1609 CB THR B 17 -11.463 6.925 1.292 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.663 6.144 1.245 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.152 7.473 -0.095 1.00 0.00 C ATOM 0 H THR B 17 -11.352 5.926 3.613 1.00 0.00 H new ATOM 0 HA THR B 17 -10.084 5.290 1.085 1.00 0.00 H new ATOM 0 HB THR B 17 -11.601 7.766 1.971 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.400 6.696 0.910 1.00 0.00 H new ATOM 0 HG21 THR B 17 -11.990 8.077 -0.444 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.254 8.090 -0.050 1.00 0.00 H new ATOM 0 HG23 THR B 17 -10.989 6.645 -0.785 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.014 6.667 1.283 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.798 7.456 1.386 1.00 0.00 C ATOM 1621 C LEU B 18 -7.056 8.871 0.896 1.00 0.00 C ATOM 1622 O LEU B 18 -6.975 9.827 1.667 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.669 6.814 0.579 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.235 5.433 1.067 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.129 4.877 0.186 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.777 5.500 2.516 1.00 0.00 C ATOM 0 H LEU B 18 -7.972 5.907 0.604 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.493 7.492 2.432 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.986 6.733 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.805 7.478 0.598 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.092 4.763 1.006 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.834 3.893 0.550 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.489 4.792 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.270 5.547 0.214 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.471 4.508 2.847 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.934 6.186 2.600 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.597 5.855 3.141 1.00 0.00 H new ATOM 1638 N SER B 19 -7.393 8.991 -0.381 1.00 0.00 N ATOM 1639 CA SER B 19 -7.667 10.290 -0.992 1.00 0.00 C ATOM 1640 C SER B 19 -8.387 10.109 -2.320 1.00 0.00 C ATOM 1641 O SER B 19 -8.525 8.985 -2.814 1.00 0.00 O ATOM 1642 CB SER B 19 -6.365 11.076 -1.218 1.00 0.00 C ATOM 1643 OG SER B 19 -5.742 11.416 0.010 1.00 0.00 O ATOM 0 H SER B 19 -7.484 8.201 -1.019 1.00 0.00 H new ATOM 0 HA SER B 19 -8.303 10.853 -0.309 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.680 10.481 -1.822 1.00 0.00 H new ATOM 0 HB3 SER B 19 -6.580 11.984 -1.781 1.00 0.00 H new ATOM 0 HG SER B 19 -6.341 11.195 0.753 1.00 0.00 H new ATOM 1649 N GLU B 20 -8.857 11.211 -2.884 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.423 11.200 -4.219 1.00 0.00 C ATOM 1651 C GLU B 20 -8.438 11.866 -5.169 1.00 0.00 C ATOM 1652 O GLU B 20 -8.255 13.084 -5.141 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.775 11.912 -4.247 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.464 11.848 -5.601 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.833 12.488 -5.577 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -12.926 13.711 -5.795 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -13.823 11.770 -5.336 1.00 0.00 O ATOM 0 H GLU B 20 -8.856 12.126 -2.434 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.596 10.171 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.427 11.468 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -10.633 12.956 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -10.844 12.348 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -11.557 10.807 -5.910 1.00 0.00 H new ATOM 1664 N ASN B 21 -7.802 11.060 -5.995 1.00 0.00 N ATOM 1665 CA ASN B 21 -6.691 11.517 -6.810 1.00 0.00 C ATOM 1666 C ASN B 21 -7.179 12.033 -8.162 1.00 0.00 C ATOM 1667 O ASN B 21 -7.980 11.380 -8.840 1.00 0.00 O ATOM 1668 CB ASN B 21 -5.696 10.369 -7.001 1.00 0.00 C ATOM 1669 CG ASN B 21 -4.304 10.847 -7.367 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -3.986 11.026 -8.541 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -3.454 11.027 -6.363 1.00 0.00 N ATOM 0 H ASN B 21 -8.038 10.076 -6.121 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.196 12.343 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.644 9.784 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -6.063 9.703 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -2.497 11.325 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.758 10.868 -5.403 1.00 0.00 H new ATOM 1678 N GLU B 22 -6.710 13.229 -8.520 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.025 13.864 -9.803 1.00 0.00 C ATOM 1680 C GLU B 22 -8.527 14.089 -9.978 1.00 0.00 C ATOM 1681 O GLU B 22 -9.005 14.237 -11.103 1.00 0.00 O ATOM 1682 CB GLU B 22 -6.467 13.035 -10.963 1.00 0.00 C ATOM 1683 CG GLU B 22 -4.951 12.916 -10.951 1.00 0.00 C ATOM 1684 CD GLU B 22 -4.264 14.265 -10.976 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -4.119 14.842 -12.072 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -3.871 14.764 -9.897 1.00 0.00 O ATOM 0 H GLU B 22 -6.098 13.788 -7.926 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.548 14.844 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -6.902 12.036 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.780 13.486 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.640 12.370 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.629 12.332 -11.813 1.00 0.00 H new ATOM 1693 N LYS B 23 -9.244 14.155 -8.854 1.00 0.00 N ATOM 1694 CA LYS B 23 -10.697 14.344 -8.847 1.00 0.00 C ATOM 1695 C LYS B 23 -11.401 13.331 -9.740 1.00 0.00 C ATOM 1696 O LYS B 23 -11.641 13.575 -10.924 1.00 0.00 O ATOM 1697 CB LYS B 23 -11.074 15.769 -9.258 1.00 0.00 C ATOM 1698 CG LYS B 23 -10.740 16.808 -8.202 1.00 0.00 C ATOM 1699 CD LYS B 23 -11.484 16.529 -6.905 1.00 0.00 C ATOM 1700 CE LYS B 23 -11.158 17.552 -5.831 1.00 0.00 C ATOM 1701 NZ LYS B 23 -11.945 17.317 -4.592 1.00 0.00 N ATOM 0 H LYS B 23 -8.834 14.079 -7.923 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.034 14.181 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.556 16.022 -10.183 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -12.142 15.808 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.666 16.810 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -11.001 17.801 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -12.557 16.532 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.227 15.532 -6.547 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -10.094 17.510 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.363 18.554 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -11.696 18.034 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.960 17.381 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.730 16.370 -4.218 1.00 0.00 H new ATOM 1715 N GLY B 24 -11.720 12.187 -9.164 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.374 11.140 -9.910 1.00 0.00 C ATOM 1717 C GLY B 24 -11.800 9.780 -9.589 1.00 0.00 C ATOM 1718 O GLY B 24 -12.541 8.831 -9.328 1.00 0.00 O ATOM 0 H GLY B 24 -11.536 11.964 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -13.441 11.146 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -12.271 11.335 -10.977 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.477 9.680 -9.587 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.818 8.422 -9.277 1.00 0.00 C ATOM 1724 C TRP B 25 -9.640 8.293 -7.777 1.00 0.00 C ATOM 1725 O TRP B 25 -8.708 8.841 -7.200 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.465 8.326 -9.989 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.584 8.062 -11.461 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -9.031 8.925 -12.422 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.242 6.848 -12.140 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -8.998 8.315 -13.655 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -8.515 7.041 -13.507 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -7.733 5.616 -11.720 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -8.295 6.043 -14.458 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -7.513 4.630 -12.664 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -7.795 4.849 -14.017 1.00 0.00 C ATOM 0 H TRP B 25 -9.844 10.452 -9.796 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.443 7.603 -9.633 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -7.916 9.255 -9.837 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.877 7.530 -9.531 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.362 9.937 -12.240 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -9.286 8.742 -14.536 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -7.516 5.437 -10.677 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -8.512 6.208 -15.503 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -7.117 3.675 -12.352 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -7.614 4.057 -14.729 1.00 0.00 H new ATOM 1746 N THR B 26 -10.546 7.578 -7.139 1.00 0.00 N ATOM 1747 CA THR B 26 -10.516 7.454 -5.697 1.00 0.00 C ATOM 1748 C THR B 26 -9.582 6.321 -5.299 1.00 0.00 C ATOM 1749 O THR B 26 -9.592 5.263 -5.915 1.00 0.00 O ATOM 1750 CB THR B 26 -11.929 7.181 -5.151 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.867 8.077 -5.764 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.977 7.357 -3.643 1.00 0.00 C ATOM 0 H THR B 26 -11.308 7.077 -7.595 1.00 0.00 H new ATOM 0 HA THR B 26 -10.153 8.390 -5.272 1.00 0.00 H new ATOM 0 HB THR B 26 -12.190 6.150 -5.388 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.765 7.899 -5.415 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.987 7.158 -3.285 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.282 6.661 -3.173 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.696 8.379 -3.387 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.780 6.543 -4.275 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.807 5.552 -3.860 1.00 0.00 C ATOM 1762 C LYS B 27 -8.085 5.126 -2.430 1.00 0.00 C ATOM 1763 O LYS B 27 -8.037 5.947 -1.502 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.396 6.114 -4.015 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.299 5.080 -3.840 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.015 5.521 -4.526 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.558 6.880 -4.038 1.00 0.00 C ATOM 1768 NZ LYS B 27 -2.360 7.365 -4.771 1.00 0.00 N ATOM 0 H LYS B 27 -8.783 7.397 -3.718 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.887 4.669 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.302 6.565 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.251 6.911 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.111 4.921 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.626 4.125 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.232 4.786 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.172 5.555 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.369 7.598 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.333 6.825 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -1.775 7.944 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.806 6.552 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.660 7.939 -5.585 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.386 3.845 -2.268 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.864 3.316 -1.003 1.00 0.00 C ATOM 1784 C GLU B 28 -8.168 1.997 -0.667 1.00 0.00 C ATOM 1785 O GLU B 28 -7.677 1.292 -1.558 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.379 3.095 -1.087 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.997 2.503 0.169 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.410 2.011 -0.052 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.576 0.935 -0.660 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -13.360 2.691 0.388 1.00 0.00 O ATOM 0 H GLU B 28 -8.305 3.148 -3.008 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.637 4.033 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.862 4.049 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.592 2.435 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.379 1.676 0.518 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.998 3.255 0.958 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.124 1.687 0.621 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.621 0.410 1.094 1.00 0.00 C ATOM 1799 C ILE B 29 -8.784 -0.431 1.610 1.00 0.00 C ATOM 1800 O ILE B 29 -9.446 -0.064 2.585 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.584 0.593 2.221 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.454 1.510 1.753 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.037 -0.757 2.658 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.416 1.795 2.817 1.00 0.00 C ATOM 0 H ILE B 29 -8.435 2.313 1.364 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.131 -0.092 0.260 1.00 0.00 H new ATOM 0 HB ILE B 29 -7.072 1.058 3.078 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.963 1.055 0.893 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.882 2.454 1.414 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.306 -0.613 3.454 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.854 -1.379 3.024 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.558 -1.247 1.810 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.648 2.452 2.409 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.892 2.279 3.670 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.959 0.859 3.140 1.00 0.00 H new ATOM 1816 N ASN B 30 -9.043 -1.547 0.952 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.178 -2.388 1.302 1.00 0.00 C ATOM 1818 C ASN B 30 -9.783 -3.856 1.336 1.00 0.00 C ATOM 1819 O ASN B 30 -8.651 -4.210 1.024 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.336 -2.170 0.321 1.00 0.00 C ATOM 1821 CG ASN B 30 -10.937 -2.376 -1.128 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.981 -3.488 -1.645 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.575 -1.292 -1.799 1.00 0.00 N ATOM 0 H ASN B 30 -8.484 -1.893 0.172 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.509 -2.102 2.301 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.147 -2.854 0.569 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.723 -1.159 0.445 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -10.319 -1.363 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -10.552 -0.386 -1.331 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.713 -4.697 1.755 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.476 -6.130 1.833 1.00 0.00 C ATOM 1832 C ARG B 31 -11.277 -6.867 0.765 1.00 0.00 C ATOM 1833 O ARG B 31 -12.510 -6.805 0.744 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.854 -6.651 3.219 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.091 -5.985 4.350 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.560 -6.485 5.704 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.353 -7.924 5.855 1.00 0.00 N ATOM 1838 CZ ARG B 31 -10.988 -8.686 6.747 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.895 -8.155 7.565 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -10.722 -9.987 6.806 1.00 0.00 N ATOM 0 H ARG B 31 -11.647 -4.410 2.049 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.415 -6.312 1.660 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.922 -6.501 3.375 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.675 -7.726 3.255 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.025 -6.182 4.237 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.223 -4.905 4.294 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.024 -5.956 6.492 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.618 -6.255 5.829 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.678 -8.375 5.237 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -12.108 -7.159 7.512 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.376 -8.744 8.244 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.036 -10.397 6.172 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -11.204 -10.576 7.486 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.572 -7.567 -0.111 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.202 -8.273 -1.220 1.00 0.00 C ATOM 1856 C VAL B 32 -11.244 -9.777 -0.958 1.00 0.00 C ATOM 1857 O VAL B 32 -10.275 -10.361 -0.465 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.454 -8.011 -2.548 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.164 -8.677 -3.719 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.307 -6.517 -2.795 1.00 0.00 C ATOM 0 H VAL B 32 -9.557 -7.662 -0.076 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.220 -7.893 -1.304 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.459 -8.448 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.616 -8.476 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.210 -9.753 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.175 -8.280 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -9.778 -6.354 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.294 -6.058 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -9.743 -6.067 -1.978 1.00 0.00 H new ATOM 1870 N SER B 33 -12.371 -10.396 -1.277 1.00 0.00 N ATOM 1871 CA SER B 33 -12.520 -11.835 -1.146 1.00 0.00 C ATOM 1872 C SER B 33 -12.711 -12.479 -2.516 1.00 0.00 C ATOM 1873 O SER B 33 -13.333 -11.893 -3.404 1.00 0.00 O ATOM 1874 CB SER B 33 -13.707 -12.158 -0.242 1.00 0.00 C ATOM 1875 OG SER B 33 -13.488 -11.678 1.071 1.00 0.00 O ATOM 0 H SER B 33 -13.200 -9.919 -1.631 1.00 0.00 H new ATOM 0 HA SER B 33 -11.613 -12.240 -0.697 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.613 -11.710 -0.651 1.00 0.00 H new ATOM 0 HB3 SER B 33 -13.868 -13.236 -0.217 1.00 0.00 H new ATOM 0 HG SER B 33 -13.523 -10.699 1.071 1.00 0.00 H new ATOM 1881 N PHE B 34 -12.161 -13.675 -2.682 1.00 0.00 N ATOM 1882 CA PHE B 34 -12.278 -14.408 -3.932 1.00 0.00 C ATOM 1883 C PHE B 34 -13.033 -15.708 -3.703 1.00 0.00 C ATOM 1884 O PHE B 34 -12.512 -16.628 -3.067 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.893 -14.702 -4.512 1.00 0.00 C ATOM 1886 CG PHE B 34 -10.095 -13.469 -4.821 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -10.228 -12.834 -6.043 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -9.213 -12.945 -3.889 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.495 -11.697 -6.331 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.479 -11.810 -4.171 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.620 -11.185 -5.395 1.00 0.00 C ATOM 0 H PHE B 34 -11.627 -14.159 -1.960 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.830 -13.795 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -10.336 -15.317 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -11.007 -15.288 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.911 -13.230 -6.780 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -9.099 -13.430 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -9.608 -11.210 -7.288 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.796 -11.411 -3.436 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.047 -10.298 -5.619 1.00 0.00 H new ATOM 1901 N ASN B 35 -14.267 -15.753 -4.205 1.00 0.00 N ATOM 1902 CA ASN B 35 -15.153 -16.918 -4.070 1.00 0.00 C ATOM 1903 C ASN B 35 -15.650 -17.075 -2.633 1.00 0.00 C ATOM 1904 O ASN B 35 -16.851 -17.018 -2.377 1.00 0.00 O ATOM 1905 CB ASN B 35 -14.474 -18.211 -4.553 1.00 0.00 C ATOM 1906 CG ASN B 35 -14.306 -18.258 -6.064 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -14.161 -17.225 -6.720 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -14.326 -19.458 -6.624 1.00 0.00 N ATOM 0 H ASN B 35 -14.686 -14.979 -4.721 1.00 0.00 H new ATOM 0 HA ASN B 35 -16.016 -16.737 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -13.496 -18.301 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -15.064 -19.069 -4.231 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.219 -19.551 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -14.448 -20.289 -6.045 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.724 -17.267 -1.707 1.00 0.00 N ATOM 1916 CA GLY B 36 -15.076 -17.336 -0.302 1.00 0.00 C ATOM 1917 C GLY B 36 -14.975 -15.974 0.350 1.00 0.00 C ATOM 1918 O GLY B 36 -15.162 -14.955 -0.316 1.00 0.00 O ATOM 0 H GLY B 36 -13.729 -17.377 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -16.091 -17.719 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.415 -18.037 0.208 1.00 0.00 H new ATOM 1922 N ALA B 37 -14.654 -15.936 1.634 1.00 0.00 N ATOM 1923 CA ALA B 37 -14.531 -14.664 2.334 1.00 0.00 C ATOM 1924 C ALA B 37 -13.271 -14.599 3.200 1.00 0.00 C ATOM 1925 O ALA B 37 -13.361 -14.497 4.423 1.00 0.00 O ATOM 1926 CB ALA B 37 -15.770 -14.407 3.175 1.00 0.00 C ATOM 0 H ALA B 37 -14.476 -16.760 2.208 1.00 0.00 H new ATOM 0 HA ALA B 37 -14.441 -13.883 1.579 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -15.667 -13.454 3.693 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -16.648 -14.376 2.530 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -15.886 -15.207 3.906 1.00 0.00 H new ATOM 1932 N PRO B 38 -12.074 -14.665 2.584 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.816 -14.467 3.302 1.00 0.00 C ATOM 1934 C PRO B 38 -10.538 -12.982 3.532 1.00 0.00 C ATOM 1935 O PRO B 38 -9.861 -12.607 4.490 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.776 -15.074 2.363 1.00 0.00 C ATOM 1937 CG PRO B 38 -10.353 -14.917 0.997 1.00 0.00 C ATOM 1938 CD PRO B 38 -11.852 -14.960 1.153 1.00 0.00 C ATOM 0 HA PRO B 38 -10.819 -14.922 4.293 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.819 -14.560 2.449 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.597 -16.123 2.598 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.037 -13.975 0.549 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.009 -15.714 0.338 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -12.341 -14.224 0.514 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.253 -15.936 0.880 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.088 -12.159 2.635 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.962 -10.706 2.678 1.00 0.00 C ATOM 1948 C ALA B 39 -9.541 -10.245 2.995 1.00 0.00 C ATOM 1949 O ALA B 39 -9.229 -9.870 4.129 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.963 -10.114 3.659 1.00 0.00 C ATOM 0 H ALA B 39 -11.642 -12.493 1.846 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.188 -10.336 1.678 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.855 -9.030 3.679 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.975 -10.373 3.347 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.777 -10.515 4.655 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.680 -10.278 1.988 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.309 -9.827 2.153 1.00 0.00 C ATOM 1958 C LYS B 40 -7.210 -8.357 1.789 1.00 0.00 C ATOM 1959 O LYS B 40 -8.054 -7.839 1.061 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.347 -10.665 1.310 1.00 0.00 C ATOM 1961 CG LYS B 40 -6.300 -12.122 1.740 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.186 -12.890 1.045 1.00 0.00 C ATOM 1963 CE LYS B 40 -5.145 -14.336 1.511 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.021 -15.100 0.903 1.00 0.00 N ATOM 0 H LYS B 40 -8.907 -10.612 1.051 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.021 -9.954 3.197 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.646 -10.610 0.263 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.346 -10.239 1.378 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.158 -12.176 2.819 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.257 -12.595 1.520 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.335 -12.857 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -4.228 -12.412 1.249 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -5.052 -14.362 2.597 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.088 -14.822 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.037 -16.079 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.121 -15.100 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -3.118 -14.655 1.163 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.191 -7.691 2.301 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.072 -6.250 2.150 1.00 0.00 C ATOM 1980 C PHE B 41 -5.544 -5.887 0.769 1.00 0.00 C ATOM 1981 O PHE B 41 -4.530 -6.417 0.328 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.146 -5.691 3.230 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.537 -6.086 4.630 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.514 -5.383 5.315 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.926 -7.161 5.260 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.876 -5.742 6.601 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.283 -7.525 6.546 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.259 -6.815 7.216 1.00 0.00 C ATOM 0 H PHE B 41 -5.432 -8.125 2.826 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.063 -5.810 2.260 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.129 -6.033 3.036 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.135 -4.603 3.159 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -6.999 -4.544 4.839 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.162 -7.720 4.740 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.639 -5.185 7.124 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.799 -8.363 7.025 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.540 -7.098 8.220 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.242 -4.995 0.093 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.832 -4.542 -1.225 1.00 0.00 C ATOM 2000 C ASP B 42 -5.890 -3.019 -1.291 1.00 0.00 C ATOM 2001 O ASP B 42 -6.856 -2.401 -0.834 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.734 -5.156 -2.300 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.261 -4.864 -3.711 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -6.401 -3.713 -4.162 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -5.774 -5.798 -4.388 1.00 0.00 O ATOM 0 H ASP B 42 -7.102 -4.566 0.436 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.807 -4.864 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.780 -6.235 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.748 -4.775 -2.177 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.843 -2.421 -1.833 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.771 -0.975 -1.973 1.00 0.00 C ATOM 2012 C ILE B 43 -4.772 -0.604 -3.447 1.00 0.00 C ATOM 2013 O ILE B 43 -3.780 -0.828 -4.141 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.491 -0.408 -1.320 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.362 -0.893 0.128 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.500 1.113 -1.373 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -2.078 -0.459 0.807 1.00 0.00 C ATOM 0 H ILE B 43 -4.025 -2.918 -2.186 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.639 -0.548 -1.470 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.629 -0.771 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -4.210 -0.520 0.703 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.420 -1.981 0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.592 1.499 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.544 1.441 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.370 1.491 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -2.060 -0.840 1.828 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -1.224 -0.854 0.257 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -2.026 0.630 0.825 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.870 -0.034 -3.929 1.00 0.00 N ATOM 2030 CA ARG B 44 -5.974 0.284 -5.347 1.00 0.00 C ATOM 2031 C ARG B 44 -6.805 1.540 -5.584 1.00 0.00 C ATOM 2032 O ARG B 44 -7.388 2.103 -4.654 1.00 0.00 O ATOM 2033 CB ARG B 44 -6.568 -0.892 -6.129 1.00 0.00 C ATOM 2034 CG ARG B 44 -8.021 -1.196 -5.803 1.00 0.00 C ATOM 2035 CD ARG B 44 -8.530 -2.372 -6.620 1.00 0.00 C ATOM 2036 NE ARG B 44 -7.770 -3.587 -6.343 1.00 0.00 N ATOM 2037 CZ ARG B 44 -7.717 -4.647 -7.144 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -8.363 -4.645 -8.307 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -7.011 -5.710 -6.780 1.00 0.00 N ATOM 0 H ARG B 44 -6.687 0.214 -3.371 1.00 0.00 H new ATOM 0 HA ARG B 44 -4.963 0.474 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.484 -0.682 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.971 -1.782 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.120 -1.417 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.634 -0.317 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.583 -2.542 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -8.463 -2.134 -7.682 1.00 0.00 H new ATOM 0 HE ARG B 44 -7.241 -3.626 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.903 -3.827 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.318 -5.461 -8.917 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -6.513 -5.711 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -6.967 -6.526 -7.390 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.841 1.972 -6.838 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.600 3.148 -7.229 1.00 0.00 C ATOM 2055 C ALA B 45 -8.803 2.762 -8.083 1.00 0.00 C ATOM 2056 O ALA B 45 -8.759 1.787 -8.837 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.705 4.125 -7.977 1.00 0.00 C ATOM 0 H ALA B 45 -6.347 1.519 -7.607 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.971 3.633 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.285 5.002 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.881 4.430 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.308 3.643 -8.870 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.877 3.522 -7.945 1.00 0.00 N ATOM 2064 CA TRP B 46 -11.102 3.276 -8.689 1.00 0.00 C ATOM 2065 C TRP B 46 -11.333 4.394 -9.698 1.00 0.00 C ATOM 2066 O TRP B 46 -11.182 5.575 -9.375 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.296 3.192 -7.734 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.112 2.203 -6.623 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.844 2.483 -5.313 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -12.177 0.778 -6.723 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -11.748 1.320 -4.591 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -11.947 0.259 -5.433 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -12.414 -0.114 -7.773 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -11.944 -1.107 -5.170 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -12.411 -1.470 -7.510 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -12.178 -1.955 -6.217 1.00 0.00 C ATOM 0 H TRP B 46 -9.925 4.324 -7.317 1.00 0.00 H new ATOM 0 HA TRP B 46 -11.003 2.328 -9.218 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.476 4.178 -7.305 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -13.186 2.924 -8.303 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.725 3.476 -4.905 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -11.559 1.256 -3.591 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -12.596 0.251 -8.773 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -11.763 -1.484 -4.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -12.591 -2.168 -8.315 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -12.183 -3.021 -6.043 1.00 0.00 H new ATOM 2087 N SER B 47 -11.697 4.022 -10.915 1.00 0.00 N ATOM 2088 CA SER B 47 -11.950 4.997 -11.963 1.00 0.00 C ATOM 2089 C SER B 47 -13.362 5.565 -11.832 1.00 0.00 C ATOM 2090 O SER B 47 -14.296 4.840 -11.482 1.00 0.00 O ATOM 2091 CB SER B 47 -11.780 4.343 -13.332 1.00 0.00 C ATOM 2092 OG SER B 47 -10.599 3.561 -13.379 1.00 0.00 O ATOM 0 H SER B 47 -11.824 3.051 -11.201 1.00 0.00 H new ATOM 0 HA SER B 47 -11.234 5.812 -11.862 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.645 3.716 -13.549 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.742 5.112 -14.104 1.00 0.00 H new ATOM 0 HG SER B 47 -9.826 4.145 -13.528 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.578 -0.440 -10.977 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.195 -0.633 -10.581 1.00 0.00 C ATOM 2204 C LYS B 55 -4.039 -0.488 -9.073 1.00 0.00 C ATOM 2205 O LYS B 55 -4.490 0.493 -8.475 1.00 0.00 O ATOM 2206 CB LYS B 55 -3.277 0.341 -11.333 1.00 0.00 C ATOM 2207 CG LYS B 55 -3.671 1.806 -11.201 1.00 0.00 C ATOM 2208 CD LYS B 55 -2.808 2.684 -12.091 1.00 0.00 C ATOM 2209 CE LYS B 55 -3.205 4.148 -11.998 1.00 0.00 C ATOM 2210 NZ LYS B 55 -2.420 4.992 -12.937 1.00 0.00 N ATOM 0 HA LYS B 55 -3.898 -1.647 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.258 0.217 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -3.271 0.073 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.720 1.930 -11.469 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.568 2.122 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.762 2.573 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.894 2.349 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -4.268 4.251 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.054 4.502 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.719 5.984 -12.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.408 4.913 -12.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.584 4.670 -13.912 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.427 -1.492 -8.472 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.225 -1.511 -7.045 1.00 0.00 C ATOM 2226 C GLY B 56 -2.450 -2.738 -6.633 1.00 0.00 C ATOM 2227 O GLY B 56 -2.024 -3.511 -7.492 1.00 0.00 O ATOM 0 H GLY B 56 -3.060 -2.309 -8.960 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -2.687 -0.614 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.189 -1.495 -6.536 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.281 -2.935 -5.337 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.502 -4.058 -4.847 1.00 0.00 C ATOM 2233 C ILE B 57 -2.181 -4.737 -3.660 1.00 0.00 C ATOM 2234 O ILE B 57 -2.658 -4.078 -2.734 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.066 -3.626 -4.467 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.749 -4.831 -3.991 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.089 -2.533 -3.403 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.221 -4.536 -3.818 1.00 0.00 C ATOM 0 H ILE B 57 -2.670 -2.336 -4.609 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.439 -4.780 -5.661 1.00 0.00 H new ATOM 0 HB ILE B 57 0.413 -3.218 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.343 -5.181 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.632 -5.644 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.933 -2.247 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.626 -1.665 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.590 -2.905 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.735 -5.435 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.642 -4.215 -4.771 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.349 -3.745 -3.079 1.00 0.00 H new ATOM 2250 N THR B 58 -2.236 -6.060 -3.713 1.00 0.00 N ATOM 2251 CA THR B 58 -2.813 -6.849 -2.642 1.00 0.00 C ATOM 2252 C THR B 58 -1.739 -7.199 -1.608 1.00 0.00 C ATOM 2253 O THR B 58 -0.619 -7.582 -1.969 1.00 0.00 O ATOM 2254 CB THR B 58 -3.433 -8.144 -3.200 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.111 -7.862 -4.434 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.414 -8.752 -2.206 1.00 0.00 C ATOM 0 H THR B 58 -1.883 -6.611 -4.496 1.00 0.00 H new ATOM 0 HA THR B 58 -3.595 -6.259 -2.164 1.00 0.00 H new ATOM 0 HB THR B 58 -2.631 -8.861 -3.375 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.599 -7.016 -4.353 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.837 -9.665 -2.625 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.893 -8.986 -1.278 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.215 -8.041 -2.003 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.075 -7.058 -0.333 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.132 -7.319 0.745 1.00 0.00 C ATOM 2266 C LEU B 59 -1.659 -8.412 1.670 1.00 0.00 C ATOM 2267 O LEU B 59 -2.863 -8.506 1.912 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.876 -6.044 1.558 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.352 -4.844 0.762 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.188 -3.638 1.670 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.969 -5.182 0.090 1.00 0.00 C ATOM 0 H LEU B 59 -2.999 -6.762 -0.019 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.196 -7.652 0.297 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.806 -5.754 2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.159 -6.275 2.346 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.080 -4.602 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.185 -2.794 1.090 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.152 -3.379 2.109 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.521 -3.874 2.464 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.324 -4.317 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.705 -5.450 0.848 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.827 -6.021 -0.591 1.00 0.00 H new ATOM 2283 N SER B 60 -0.756 -9.237 2.175 1.00 0.00 N ATOM 2284 CA SER B 60 -1.119 -10.272 3.134 1.00 0.00 C ATOM 2285 C SER B 60 -1.260 -9.660 4.526 1.00 0.00 C ATOM 2286 O SER B 60 -0.855 -8.517 4.748 1.00 0.00 O ATOM 2287 CB SER B 60 -0.057 -11.377 3.151 1.00 0.00 C ATOM 2288 OG SER B 60 0.215 -11.853 1.842 1.00 0.00 O ATOM 0 H SER B 60 0.236 -9.211 1.937 1.00 0.00 H new ATOM 0 HA SER B 60 -2.072 -10.710 2.837 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.860 -10.995 3.599 1.00 0.00 H new ATOM 0 HB3 SER B 60 -0.398 -12.202 3.776 1.00 0.00 H new ATOM 0 HG SER B 60 1.134 -11.621 1.594 1.00 0.00 H new ATOM 2294 N ASN B 61 -1.824 -10.423 5.459 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.034 -9.942 6.826 1.00 0.00 C ATOM 2296 C ASN B 61 -0.720 -9.479 7.445 1.00 0.00 C ATOM 2297 O ASN B 61 -0.621 -8.363 7.954 1.00 0.00 O ATOM 2298 CB ASN B 61 -2.661 -11.036 7.704 1.00 0.00 C ATOM 2299 CG ASN B 61 -4.077 -11.403 7.295 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -4.449 -11.321 6.122 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.879 -11.822 8.262 1.00 0.00 N ATOM 0 H ASN B 61 -2.145 -11.377 5.295 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.720 -9.096 6.776 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -2.036 -11.928 7.661 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.666 -10.700 8.741 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -5.840 -12.090 8.048 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -4.536 -11.877 9.221 1.00 0.00 H new ATOM 2308 N GLU B 62 0.290 -10.342 7.381 1.00 0.00 N ATOM 2309 CA GLU B 62 1.611 -10.035 7.922 1.00 0.00 C ATOM 2310 C GLU B 62 2.188 -8.782 7.282 1.00 0.00 C ATOM 2311 O GLU B 62 2.641 -7.878 7.978 1.00 0.00 O ATOM 2312 CB GLU B 62 2.566 -11.214 7.703 1.00 0.00 C ATOM 2313 CG GLU B 62 2.347 -12.379 8.656 1.00 0.00 C ATOM 2314 CD GLU B 62 0.916 -12.865 8.679 1.00 0.00 C ATOM 2315 OE1 GLU B 62 0.430 -13.345 7.635 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.265 -12.748 9.735 1.00 0.00 O ATOM 0 H GLU B 62 0.218 -11.267 6.956 1.00 0.00 H new ATOM 0 HA GLU B 62 1.499 -9.857 8.992 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.456 -11.571 6.679 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.592 -10.861 7.809 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.000 -13.203 8.369 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.638 -12.077 9.662 1.00 0.00 H new ATOM 2323 N GLU B 63 2.152 -8.732 5.958 1.00 0.00 N ATOM 2324 CA GLU B 63 2.685 -7.603 5.205 1.00 0.00 C ATOM 2325 C GLU B 63 2.019 -6.305 5.641 1.00 0.00 C ATOM 2326 O GLU B 63 2.685 -5.302 5.906 1.00 0.00 O ATOM 2327 CB GLU B 63 2.445 -7.824 3.714 1.00 0.00 C ATOM 2328 CG GLU B 63 3.018 -9.131 3.192 1.00 0.00 C ATOM 2329 CD GLU B 63 2.464 -9.504 1.831 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.796 -8.661 1.204 1.00 0.00 O ATOM 2331 OE2 GLU B 63 2.676 -10.652 1.390 1.00 0.00 O ATOM 0 H GLU B 63 1.754 -9.469 5.376 1.00 0.00 H new ATOM 0 HA GLU B 63 3.755 -7.529 5.399 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.372 -7.804 3.520 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.885 -6.996 3.157 1.00 0.00 H new ATOM 0 HG2 GLU B 63 4.103 -9.049 3.129 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.799 -9.929 3.901 1.00 0.00 H new ATOM 2338 N PHE B 64 0.699 -6.350 5.733 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.093 -5.197 6.119 1.00 0.00 C ATOM 2340 C PHE B 64 0.268 -4.750 7.532 1.00 0.00 C ATOM 2341 O PHE B 64 0.561 -3.580 7.769 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.576 -5.553 6.037 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.472 -4.378 5.791 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.560 -3.821 4.525 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.238 -3.841 6.810 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.393 -2.749 4.283 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.070 -2.767 6.573 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.150 -2.223 5.308 1.00 0.00 C ATOM 0 H PHE B 64 0.149 -7.187 5.542 1.00 0.00 H new ATOM 0 HA PHE B 64 0.119 -4.373 5.438 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.721 -6.281 5.239 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.875 -6.036 6.967 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.970 -4.231 3.719 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.184 -4.267 7.801 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.452 -2.322 3.293 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.659 -2.352 7.378 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.805 -1.385 5.121 1.00 0.00 H new ATOM 2358 N GLN B 65 0.247 -5.695 8.467 1.00 0.00 N ATOM 2359 CA GLN B 65 0.643 -5.424 9.845 1.00 0.00 C ATOM 2360 C GLN B 65 2.061 -4.860 9.925 1.00 0.00 C ATOM 2361 O GLN B 65 2.334 -3.971 10.732 1.00 0.00 O ATOM 2362 CB GLN B 65 0.556 -6.701 10.687 1.00 0.00 C ATOM 2363 CG GLN B 65 -0.856 -7.241 10.850 1.00 0.00 C ATOM 2364 CD GLN B 65 -1.629 -6.587 11.985 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -1.281 -5.353 12.328 1.00 0.00 O flip ATOM 2366 NE2 GLN B 65 -2.515 -7.205 12.571 1.00 0.00 N flip ATOM 0 H GLN B 65 -0.041 -6.658 8.295 1.00 0.00 H new ATOM 0 HA GLN B 65 -0.046 -4.677 10.239 1.00 0.00 H new ATOM 0 HB2 GLN B 65 1.177 -7.470 10.227 1.00 0.00 H new ATOM 0 HB3 GLN B 65 0.974 -6.502 11.674 1.00 0.00 H new ATOM 0 HG2 GLN B 65 -1.402 -7.095 9.918 1.00 0.00 H new ATOM 0 HG3 GLN B 65 -0.807 -8.316 11.026 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -2.755 -8.152 12.279 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -3.010 -6.771 13.350 1.00 0.00 H new ATOM 2375 N THR B 66 2.952 -5.382 9.088 1.00 0.00 N ATOM 2376 CA THR B 66 4.346 -4.957 9.086 1.00 0.00 C ATOM 2377 C THR B 66 4.468 -3.466 8.780 1.00 0.00 C ATOM 2378 O THR B 66 5.144 -2.738 9.503 1.00 0.00 O ATOM 2379 CB THR B 66 5.180 -5.764 8.068 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.122 -7.160 8.386 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.633 -5.310 8.058 1.00 0.00 C ATOM 0 H THR B 66 2.732 -6.102 8.400 1.00 0.00 H new ATOM 0 HA THR B 66 4.738 -5.146 10.086 1.00 0.00 H new ATOM 0 HB THR B 66 4.757 -5.591 7.078 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.216 -7.495 8.222 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.193 -5.898 7.331 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.683 -4.255 7.787 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.065 -5.451 9.049 1.00 0.00 H new ATOM 2389 N MET B 67 3.797 -3.010 7.725 1.00 0.00 N ATOM 2390 CA MET B 67 3.878 -1.607 7.338 1.00 0.00 C ATOM 2391 C MET B 67 3.276 -0.716 8.424 1.00 0.00 C ATOM 2392 O MET B 67 3.778 0.373 8.684 1.00 0.00 O ATOM 2393 CB MET B 67 3.193 -1.353 5.983 1.00 0.00 C ATOM 2394 CG MET B 67 1.674 -1.333 6.039 1.00 0.00 C ATOM 2395 SD MET B 67 0.925 -0.821 4.483 1.00 0.00 S ATOM 2396 CE MET B 67 -0.767 -0.540 5.008 1.00 0.00 C ATOM 0 H MET B 67 3.199 -3.584 7.131 1.00 0.00 H new ATOM 0 HA MET B 67 4.932 -1.354 7.225 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.542 -0.399 5.587 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.508 -2.125 5.281 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.312 -2.327 6.302 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.353 -0.657 6.831 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.396 -0.373 4.134 1.00 0.00 H new ATOM 0 HE2 MET B 67 -1.128 -1.412 5.553 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.806 0.335 5.656 1.00 0.00 H new ATOM 2406 N VAL B 68 2.223 -1.200 9.080 1.00 0.00 N ATOM 2407 CA VAL B 68 1.583 -0.452 10.157 1.00 0.00 C ATOM 2408 C VAL B 68 2.556 -0.242 11.312 1.00 0.00 C ATOM 2409 O VAL B 68 2.833 0.890 11.706 1.00 0.00 O ATOM 2410 CB VAL B 68 0.322 -1.174 10.677 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.287 -0.425 11.851 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.697 -1.336 9.562 1.00 0.00 C ATOM 0 H VAL B 68 1.796 -2.106 8.884 1.00 0.00 H new ATOM 0 HA VAL B 68 1.285 0.514 9.749 1.00 0.00 H new ATOM 0 HB VAL B 68 0.617 -2.165 11.023 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.174 -0.954 12.199 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.440 -0.364 12.661 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.565 0.581 11.536 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.579 -1.847 9.947 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.982 -0.354 9.184 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.261 -1.923 8.754 1.00 0.00 H new ATOM 2422 N ASP B 69 3.068 -1.347 11.835 1.00 0.00 N ATOM 2423 CA ASP B 69 4.041 -1.331 12.927 1.00 0.00 C ATOM 2424 C ASP B 69 5.239 -0.450 12.580 1.00 0.00 C ATOM 2425 O ASP B 69 5.606 0.460 13.333 1.00 0.00 O ATOM 2426 CB ASP B 69 4.502 -2.767 13.204 1.00 0.00 C ATOM 2427 CG ASP B 69 5.511 -2.872 14.331 1.00 0.00 C ATOM 2428 OD1 ASP B 69 5.093 -3.058 15.491 1.00 0.00 O ATOM 2429 OD2 ASP B 69 6.728 -2.812 14.057 1.00 0.00 O ATOM 0 H ASP B 69 2.822 -2.284 11.516 1.00 0.00 H new ATOM 0 HA ASP B 69 3.570 -0.915 13.817 1.00 0.00 H new ATOM 0 HB2 ASP B 69 3.633 -3.379 13.447 1.00 0.00 H new ATOM 0 HB3 ASP B 69 4.939 -3.181 12.296 1.00 0.00 H new ATOM 2434 N ALA B 70 5.822 -0.708 11.418 1.00 0.00 N ATOM 2435 CA ALA B 70 7.016 -0.004 10.984 1.00 0.00 C ATOM 2436 C ALA B 70 6.765 1.489 10.791 1.00 0.00 C ATOM 2437 O ALA B 70 7.497 2.311 11.330 1.00 0.00 O ATOM 2438 CB ALA B 70 7.547 -0.624 9.705 1.00 0.00 C ATOM 0 H ALA B 70 5.483 -1.406 10.756 1.00 0.00 H new ATOM 0 HA ALA B 70 7.763 -0.104 11.771 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.442 -0.090 9.386 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.793 -1.671 9.883 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.788 -0.557 8.926 1.00 0.00 H new ATOM 2444 N PHE B 71 5.724 1.843 10.039 1.00 0.00 N ATOM 2445 CA PHE B 71 5.449 3.246 9.747 1.00 0.00 C ATOM 2446 C PHE B 71 4.998 4.002 10.990 1.00 0.00 C ATOM 2447 O PHE B 71 5.239 5.206 11.106 1.00 0.00 O ATOM 2448 CB PHE B 71 4.424 3.391 8.620 1.00 0.00 C ATOM 2449 CG PHE B 71 4.992 3.053 7.271 1.00 0.00 C ATOM 2450 CD1 PHE B 71 6.247 3.515 6.903 1.00 0.00 C ATOM 2451 CD2 PHE B 71 4.279 2.278 6.372 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.780 3.211 5.666 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.807 1.971 5.131 1.00 0.00 C ATOM 2454 CZ PHE B 71 6.059 2.436 4.780 1.00 0.00 C ATOM 0 H PHE B 71 5.064 1.184 9.625 1.00 0.00 H new ATOM 0 HA PHE B 71 6.385 3.692 9.410 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.572 2.742 8.824 1.00 0.00 H new ATOM 0 HB3 PHE B 71 4.049 4.414 8.605 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.815 4.121 7.593 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.301 1.909 6.643 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.758 3.578 5.393 1.00 0.00 H new ATOM 0 HE2 PHE B 71 4.240 1.368 4.437 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.474 2.193 3.813 1.00 0.00 H new ATOM 2464 N LYS B 72 4.364 3.299 11.923 1.00 0.00 N ATOM 2465 CA LYS B 72 3.998 3.893 13.202 1.00 0.00 C ATOM 2466 C LYS B 72 5.251 4.300 13.967 1.00 0.00 C ATOM 2467 O LYS B 72 5.259 5.289 14.697 1.00 0.00 O ATOM 2468 CB LYS B 72 3.163 2.914 14.034 1.00 0.00 C ATOM 2469 CG LYS B 72 2.824 3.437 15.418 1.00 0.00 C ATOM 2470 CD LYS B 72 1.819 2.549 16.127 1.00 0.00 C ATOM 2471 CE LYS B 72 1.508 3.080 17.514 1.00 0.00 C ATOM 2472 NZ LYS B 72 2.671 2.945 18.429 1.00 0.00 N ATOM 0 H LYS B 72 4.094 2.321 11.817 1.00 0.00 H new ATOM 0 HA LYS B 72 3.396 4.781 13.011 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.239 2.692 13.501 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.708 1.975 14.132 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.734 3.503 16.014 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.422 4.447 15.336 1.00 0.00 H new ATOM 0 HD2 LYS B 72 0.902 2.492 15.541 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.213 1.535 16.202 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.219 4.129 17.446 1.00 0.00 H new ATOM 0 HE3 LYS B 72 0.656 2.541 17.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 2.456 3.409 19.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 2.867 1.937 18.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 3.505 3.394 17.999 1.00 0.00 H new ATOM 2486 N GLY B 73 6.310 3.531 13.788 1.00 0.00 N ATOM 2487 CA GLY B 73 7.568 3.854 14.424 1.00 0.00 C ATOM 2488 C GLY B 73 8.570 4.453 13.455 1.00 0.00 C ATOM 2489 O GLY B 73 9.778 4.357 13.668 1.00 0.00 O ATOM 0 H GLY B 73 6.322 2.688 13.214 1.00 0.00 H new ATOM 0 HA2 GLY B 73 7.390 4.556 15.239 1.00 0.00 H new ATOM 0 HA3 GLY B 73 7.990 2.952 14.867 1.00 0.00 H new ATOM 2493 N ASN B 74 8.075 5.071 12.387 1.00 0.00 N ATOM 2494 CA ASN B 74 8.951 5.631 11.363 1.00 0.00 C ATOM 2495 C ASN B 74 8.420 6.963 10.845 1.00 0.00 C ATOM 2496 O ASN B 74 9.013 8.010 11.098 1.00 0.00 O ATOM 2497 CB ASN B 74 9.109 4.644 10.202 1.00 0.00 C ATOM 2498 CG ASN B 74 10.028 5.147 9.100 1.00 0.00 C ATOM 2499 OD1 ASN B 74 11.050 5.906 9.461 1.00 0.00 O flip ATOM 2500 ND2 ASN B 74 9.828 4.837 7.927 1.00 0.00 N flip ATOM 0 H ASN B 74 7.079 5.196 12.208 1.00 0.00 H new ATOM 0 HA ASN B 74 9.925 5.809 11.819 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.498 3.702 10.587 1.00 0.00 H new ATOM 0 HB3 ASN B 74 8.127 4.434 9.778 1.00 0.00 H new ATOM 0 HD21 ASN B 74 9.030 4.250 7.684 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.460 5.167 7.197 1.00 0.00 H new ATOM 2507 N LEU B 75 7.293 6.925 10.139 1.00 0.00 N ATOM 2508 CA LEU B 75 6.783 8.113 9.471 1.00 0.00 C ATOM 2509 C LEU B 75 6.046 9.023 10.445 1.00 0.00 C ATOM 2510 O LEU B 75 5.955 10.230 10.218 1.00 0.00 O ATOM 2511 CB LEU B 75 5.860 7.743 8.308 1.00 0.00 C ATOM 2512 CG LEU B 75 5.413 8.928 7.442 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.602 9.552 6.734 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.362 8.502 6.432 1.00 0.00 C ATOM 0 H LEU B 75 6.721 6.089 10.017 1.00 0.00 H new ATOM 0 HA LEU B 75 7.644 8.652 9.075 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.370 7.019 7.673 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.975 7.248 8.708 1.00 0.00 H new ATOM 0 HG LEU B 75 4.968 9.674 8.101 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.264 10.390 6.125 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.320 9.907 7.473 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.077 8.808 6.095 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.064 9.362 5.832 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.774 7.731 5.781 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.492 8.107 6.957 1.00 0.00 H new ATOM 2526 N GLU B 76 5.515 8.454 11.525 1.00 0.00 N ATOM 2527 CA GLU B 76 4.837 9.263 12.526 1.00 0.00 C ATOM 2528 C GLU B 76 5.812 10.245 13.153 1.00 0.00 C ATOM 2529 O GLU B 76 6.755 9.852 13.845 1.00 0.00 O ATOM 2530 CB GLU B 76 4.196 8.416 13.628 1.00 0.00 C ATOM 2531 CG GLU B 76 3.515 9.276 14.690 1.00 0.00 C ATOM 2532 CD GLU B 76 2.992 8.494 15.876 1.00 0.00 C ATOM 2533 OE1 GLU B 76 3.558 7.433 16.198 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.025 8.962 16.517 1.00 0.00 O ATOM 0 H GLU B 76 5.541 7.454 11.725 1.00 0.00 H new ATOM 0 HA GLU B 76 4.039 9.799 12.011 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.464 7.740 13.186 1.00 0.00 H new ATOM 0 HB3 GLU B 76 4.959 7.796 14.099 1.00 0.00 H new ATOM 0 HG2 GLU B 76 4.223 10.024 15.046 1.00 0.00 H new ATOM 0 HG3 GLU B 76 2.687 9.815 14.230 1.00 0.00 H new