USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 699 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 82 ASN : amide:sc= 0.118 K(o=0.22,f=-1.8!) USER MOD Set 1.2: A 84 THR OG1 : rot -13:sc= 0.104 USER MOD Set 2.1: A 76 THR OG1 : rot -178:sc= 0.715 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.508 K(o=-2.2,f=-3) USER MOD Set 2.3: A 83 TYR OH : rot 179:sc= -2.45! USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.569 K(o=-0.66,f=-1.4) USER MOD Set 3.2: A 73 ASN : amide:sc= -0.0874 K(o=-0.66,f=0.27) USER MOD Set 4.1: A 28 SER OG : rot -92:sc= 1.29 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 2.21 K(o=3.5,f=-8.5!) USER MOD Single : A 7 SER OG : rot -30:sc= 0.133 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.665 K(o=-0.67,f=-0.059) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 20 MET CE :methyl -162:sc= 0 (180deg=-0.32) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.973 K(o=0.97,f=-5.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.963 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 160:sc= 0.135 USER MOD Single : A 62 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 64 THR OG1 : rot 148:sc= 0.457 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.0579 K(o=0.058,f=-5!) USER MOD Single : A 89 ASN : amide:sc= -2.04! C(o=-2!,f=-7.3!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -178:sc= 0 (180deg=-0.00403) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.360 0.667 3.312 1.00 1.06 N ATOM 80 CA SER A 7 -21.383 1.408 2.613 1.00 0.91 C ATOM 81 C SER A 7 -20.157 1.611 3.491 1.00 0.81 C ATOM 82 O SER A 7 -20.201 2.310 4.509 1.00 0.91 O ATOM 83 CB SER A 7 -21.991 2.708 2.077 1.00 1.01 C ATOM 84 OG SER A 7 -22.683 3.441 3.088 1.00 1.58 O ATOM 0 HA SER A 7 -21.040 0.855 1.739 1.00 0.91 H new ATOM 0 HB2 SER A 7 -21.200 3.330 1.658 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.679 2.476 1.264 1.00 1.01 H new ATOM 0 HG SER A 7 -23.052 2.818 3.749 1.00 1.58 H new ATOM 90 N PHE A 8 -19.112 0.909 3.144 1.00 0.75 N ATOM 91 CA PHE A 8 -17.865 0.969 3.857 1.00 0.70 C ATOM 92 C PHE A 8 -17.023 2.114 3.316 1.00 0.53 C ATOM 93 O PHE A 8 -16.805 2.214 2.106 1.00 0.54 O ATOM 94 CB PHE A 8 -17.105 -0.356 3.702 1.00 0.85 C ATOM 95 CG PHE A 8 -17.753 -1.559 4.346 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.923 -2.120 3.844 1.00 0.88 C ATOM 97 CD2 PHE A 8 -17.169 -2.145 5.441 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.482 -3.231 4.434 1.00 0.85 C ATOM 99 CE2 PHE A 8 -17.727 -3.254 6.036 1.00 1.19 C ATOM 100 CZ PHE A 8 -18.885 -3.799 5.534 1.00 0.96 C ATOM 0 H PHE A 8 -19.103 0.271 2.348 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.066 1.138 4.915 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.979 -0.559 2.639 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.107 -0.234 4.124 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.399 -1.678 2.981 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -16.257 -1.729 5.843 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.390 -3.656 4.032 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -17.254 -3.697 6.900 1.00 1.19 H new ATOM 0 HZ PHE A 8 -19.323 -4.669 6.001 1.00 0.96 H new ATOM 110 N CYS A 9 -16.571 2.948 4.197 1.00 0.49 N ATOM 111 CA CYS A 9 -15.736 4.080 3.865 1.00 0.44 C ATOM 112 C CYS A 9 -14.291 3.584 3.800 1.00 0.37 C ATOM 113 O CYS A 9 -14.036 2.435 4.111 1.00 0.40 O ATOM 114 CB CYS A 9 -15.901 5.147 4.956 1.00 0.62 C ATOM 115 SG CYS A 9 -15.072 6.742 4.610 1.00 1.32 S ATOM 0 H CYS A 9 -16.772 2.867 5.194 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.013 4.520 2.907 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.965 5.332 5.104 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.513 4.749 5.894 1.00 0.62 H new ATOM 120 N ALA A 10 -13.349 4.444 3.438 1.00 0.35 N ATOM 121 CA ALA A 10 -11.978 4.003 3.275 1.00 0.35 C ATOM 122 C ALA A 10 -11.203 4.225 4.532 1.00 0.29 C ATOM 123 O ALA A 10 -11.020 5.362 4.974 1.00 0.34 O ATOM 124 CB ALA A 10 -11.282 4.726 2.130 1.00 0.45 C ATOM 0 H ALA A 10 -13.508 5.435 3.255 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.013 2.939 3.043 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.257 4.366 2.042 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.816 4.532 1.200 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.274 5.798 2.328 1.00 0.45 H new ATOM 130 N SER A 11 -10.795 3.156 5.119 1.00 0.27 N ATOM 131 CA SER A 11 -9.959 3.190 6.266 1.00 0.27 C ATOM 132 C SER A 11 -8.647 2.509 5.904 1.00 0.23 C ATOM 133 O SER A 11 -8.642 1.429 5.306 1.00 0.25 O ATOM 134 CB SER A 11 -10.662 2.516 7.454 1.00 0.37 C ATOM 135 OG SER A 11 -9.829 2.429 8.605 1.00 1.19 O ATOM 0 H SER A 11 -11.038 2.215 4.809 1.00 0.27 H new ATOM 0 HA SER A 11 -9.751 4.215 6.573 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.563 3.076 7.704 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.979 1.515 7.163 1.00 0.37 H new ATOM 0 HG SER A 11 -10.321 1.995 9.333 1.00 1.19 H new ATOM 141 N VAL A 12 -7.544 3.154 6.219 1.00 0.23 N ATOM 142 CA VAL A 12 -6.236 2.655 5.848 1.00 0.22 C ATOM 143 C VAL A 12 -5.404 2.349 7.078 1.00 0.24 C ATOM 144 O VAL A 12 -5.171 3.221 7.912 1.00 0.29 O ATOM 145 CB VAL A 12 -5.474 3.685 4.954 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.078 3.219 4.640 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.203 3.911 3.662 1.00 0.27 C ATOM 0 H VAL A 12 -7.527 4.033 6.736 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.389 1.737 5.281 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.422 4.615 5.520 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.578 3.961 4.017 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.520 3.090 5.568 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.123 2.269 4.108 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.654 4.632 3.056 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.284 2.969 3.120 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.201 4.297 3.870 1.00 0.27 H new ATOM 157 N GLN A 13 -4.982 1.122 7.200 1.00 0.24 N ATOM 158 CA GLN A 13 -4.103 0.731 8.259 1.00 0.29 C ATOM 159 C GLN A 13 -2.820 0.160 7.672 1.00 0.26 C ATOM 160 O GLN A 13 -2.850 -0.771 6.850 1.00 0.32 O ATOM 161 CB GLN A 13 -4.780 -0.249 9.243 1.00 0.40 C ATOM 162 CG GLN A 13 -5.289 -1.543 8.625 1.00 0.68 C ATOM 163 CD GLN A 13 -6.067 -2.421 9.598 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.955 -3.172 9.196 1.00 2.18 O ATOM 165 NE2 GLN A 13 -5.769 -2.321 10.876 1.00 2.06 N ATOM 0 H GLN A 13 -5.240 0.366 6.566 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.851 1.614 8.846 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.068 -0.497 10.030 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -5.617 0.261 9.719 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.928 -1.303 7.775 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -4.442 -2.108 8.237 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -5.027 -1.690 11.179 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -6.280 -2.875 11.564 1.00 2.06 H new ATOM 174 N LEU A 14 -1.716 0.739 8.048 1.00 0.28 N ATOM 175 CA LEU A 14 -0.416 0.305 7.583 1.00 0.25 C ATOM 176 C LEU A 14 0.304 -0.429 8.683 1.00 0.25 C ATOM 177 O LEU A 14 -0.021 -0.257 9.852 1.00 0.33 O ATOM 178 CB LEU A 14 0.404 1.500 7.069 1.00 0.24 C ATOM 179 CG LEU A 14 0.010 2.009 5.679 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.644 3.342 5.381 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.462 1.018 4.641 1.00 0.25 C ATOM 0 H LEU A 14 -1.685 1.531 8.690 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.548 -0.382 6.747 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.307 2.320 7.780 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.457 1.217 7.050 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.073 2.126 5.657 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.343 3.674 4.387 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.319 4.073 6.121 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.729 3.245 5.419 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.183 1.376 3.650 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.545 0.903 4.694 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.014 0.055 4.826 1.00 0.25 H new ATOM 193 N HIS A 15 1.225 -1.272 8.322 1.00 0.21 N ATOM 194 CA HIS A 15 1.981 -2.038 9.288 1.00 0.24 C ATOM 195 C HIS A 15 3.440 -1.974 8.978 1.00 0.21 C ATOM 196 O HIS A 15 3.822 -1.773 7.823 1.00 0.22 O ATOM 197 CB HIS A 15 1.512 -3.500 9.351 1.00 0.34 C ATOM 198 CG HIS A 15 0.221 -3.690 10.084 1.00 0.54 C ATOM 199 ND1 HIS A 15 0.171 -3.961 11.423 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.070 -3.627 9.670 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.068 -4.058 11.810 1.00 1.03 C ATOM 202 NE2 HIS A 15 -1.851 -3.861 10.771 1.00 0.83 N ATOM 0 H HIS A 15 1.479 -1.454 7.351 1.00 0.21 H new ATOM 0 HA HIS A 15 1.806 -1.593 10.268 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.402 -3.880 8.335 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.284 -4.099 9.833 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.415 -3.430 8.666 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.399 -4.266 12.817 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -2.871 -3.879 10.783 1.00 0.83 H new ATOM 211 N THR A 16 4.240 -2.107 10.027 1.00 0.26 N ATOM 212 CA THR A 16 5.680 -2.072 9.963 1.00 0.29 C ATOM 213 C THR A 16 6.194 -3.093 8.944 1.00 0.25 C ATOM 214 O THR A 16 5.763 -4.263 8.944 1.00 0.27 O ATOM 215 CB THR A 16 6.243 -2.422 11.348 1.00 0.38 C ATOM 216 OG1 THR A 16 5.492 -1.713 12.351 1.00 0.49 O ATOM 217 CG2 THR A 16 7.708 -2.016 11.455 1.00 0.47 C ATOM 0 H THR A 16 3.885 -2.246 10.973 1.00 0.26 H new ATOM 0 HA THR A 16 6.001 -1.076 9.658 1.00 0.29 H new ATOM 0 HB THR A 16 6.163 -3.499 11.495 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.844 -1.932 13.239 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.086 -2.274 12.445 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.288 -2.543 10.697 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.800 -0.941 11.300 1.00 0.47 H new ATOM 225 N ALA A 17 7.111 -2.648 8.101 1.00 0.28 N ATOM 226 CA ALA A 17 7.656 -3.458 7.041 1.00 0.30 C ATOM 227 C ALA A 17 8.467 -4.606 7.621 1.00 0.35 C ATOM 228 O ALA A 17 9.108 -4.455 8.670 1.00 0.40 O ATOM 229 CB ALA A 17 8.493 -2.598 6.125 1.00 0.37 C ATOM 0 H ALA A 17 7.497 -1.705 8.139 1.00 0.28 H new ATOM 0 HA ALA A 17 6.843 -3.889 6.457 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.904 -3.213 5.324 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.872 -1.811 5.696 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.308 -2.148 6.692 1.00 0.37 H new ATOM 235 N VAL A 18 8.440 -5.738 6.968 1.00 0.38 N ATOM 236 CA VAL A 18 9.085 -6.918 7.507 1.00 0.48 C ATOM 237 C VAL A 18 10.529 -7.069 7.035 1.00 0.56 C ATOM 238 O VAL A 18 10.828 -7.004 5.835 1.00 0.52 O ATOM 239 CB VAL A 18 8.268 -8.221 7.246 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.933 -8.164 7.972 1.00 0.57 C ATOM 241 CG2 VAL A 18 8.042 -8.455 5.759 1.00 0.52 C ATOM 0 H VAL A 18 7.982 -5.873 6.067 1.00 0.38 H new ATOM 0 HA VAL A 18 9.114 -6.766 8.586 1.00 0.48 H new ATOM 0 HB VAL A 18 8.852 -9.056 7.632 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.375 -9.080 7.780 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.106 -8.062 9.043 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.360 -7.309 7.614 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.470 -9.372 5.618 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.490 -7.614 5.338 1.00 0.52 H new ATOM 0 HG23 VAL A 18 9.004 -8.547 5.255 1.00 0.52 H new ATOM 251 N GLU A 19 11.407 -7.240 8.013 1.00 0.72 N ATOM 252 CA GLU A 19 12.840 -7.383 7.809 1.00 0.84 C ATOM 253 C GLU A 19 13.166 -8.720 7.144 1.00 0.84 C ATOM 254 O GLU A 19 13.017 -9.799 7.755 1.00 0.96 O ATOM 255 CB GLU A 19 13.574 -7.251 9.166 1.00 1.06 C ATOM 256 CG GLU A 19 15.093 -7.483 9.133 1.00 1.72 C ATOM 257 CD GLU A 19 15.853 -6.488 8.279 1.00 2.02 C ATOM 258 OE1 GLU A 19 16.094 -6.771 7.089 1.00 2.52 O ATOM 259 OE2 GLU A 19 16.168 -5.387 8.763 1.00 2.38 O ATOM 0 H GLU A 19 11.135 -7.284 8.995 1.00 0.72 H new ATOM 0 HA GLU A 19 13.181 -6.591 7.143 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.387 -6.253 9.563 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.133 -7.960 9.866 1.00 1.06 H new ATOM 0 HG2 GLU A 19 15.478 -7.440 10.152 1.00 1.72 H new ATOM 0 HG3 GLU A 19 15.288 -8.489 8.761 1.00 1.72 H new ATOM 266 N MET A 20 13.559 -8.634 5.903 1.00 0.79 N ATOM 267 CA MET A 20 13.995 -9.747 5.092 1.00 0.84 C ATOM 268 C MET A 20 14.573 -9.166 3.821 1.00 0.81 C ATOM 269 O MET A 20 14.745 -7.943 3.745 1.00 0.84 O ATOM 270 CB MET A 20 12.861 -10.782 4.805 1.00 0.88 C ATOM 271 CG MET A 20 11.642 -10.267 4.055 1.00 0.88 C ATOM 272 SD MET A 20 10.423 -11.582 3.754 1.00 0.88 S ATOM 273 CE MET A 20 9.173 -10.706 2.812 1.00 0.58 C ATOM 0 H MET A 20 13.587 -7.746 5.402 1.00 0.79 H new ATOM 0 HA MET A 20 14.748 -10.321 5.632 1.00 0.84 H new ATOM 0 HB2 MET A 20 13.289 -11.606 4.234 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.526 -11.193 5.757 1.00 0.88 H new ATOM 0 HG2 MET A 20 11.176 -9.465 4.627 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.956 -9.839 3.103 1.00 0.88 H new ATOM 0 HE1 MET A 20 8.241 -11.271 2.831 1.00 0.58 H new ATOM 0 HE2 MET A 20 9.010 -9.722 3.251 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.508 -10.592 1.781 1.00 0.58 H new ATOM 283 N HIS A 21 14.890 -9.994 2.842 1.00 0.92 N ATOM 284 CA HIS A 21 15.483 -9.484 1.602 1.00 1.01 C ATOM 285 C HIS A 21 14.512 -8.621 0.822 1.00 0.82 C ATOM 286 O HIS A 21 14.848 -7.511 0.433 1.00 0.95 O ATOM 287 CB HIS A 21 16.078 -10.592 0.727 1.00 1.24 C ATOM 288 CG HIS A 21 17.315 -11.198 1.294 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.576 -10.804 0.925 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.484 -12.176 2.210 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.464 -11.510 1.588 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.829 -12.349 2.376 1.00 2.66 N ATOM 0 H HIS A 21 14.753 -11.004 2.871 1.00 0.92 H new ATOM 0 HA HIS A 21 16.315 -8.849 1.906 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.331 -11.374 0.587 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.302 -10.185 -0.259 1.00 1.24 H new ATOM 0 HD2 HIS A 21 16.701 -12.720 2.717 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.536 -11.417 1.500 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.268 -13.019 3.007 1.00 2.66 H new ATOM 301 N HIS A 22 13.324 -9.120 0.598 1.00 0.67 N ATOM 302 CA HIS A 22 12.299 -8.343 -0.062 1.00 0.59 C ATOM 303 C HIS A 22 11.478 -7.643 0.979 1.00 0.49 C ATOM 304 O HIS A 22 10.878 -8.284 1.822 1.00 0.57 O ATOM 305 CB HIS A 22 11.391 -9.210 -0.949 1.00 0.76 C ATOM 306 CG HIS A 22 12.058 -9.757 -2.172 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.812 -11.007 -2.674 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.919 -9.183 -3.028 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.492 -11.178 -3.786 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.174 -10.082 -4.030 1.00 2.46 N ATOM 0 H HIS A 22 13.039 -10.063 0.862 1.00 0.67 H new ATOM 0 HA HIS A 22 12.788 -7.620 -0.715 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.011 -10.041 -0.355 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.529 -8.617 -1.255 1.00 0.76 H new ATOM 0 HD2 HIS A 22 13.336 -8.190 -2.942 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.490 -12.069 -4.396 1.00 2.06 H new ATOM 0 HE2 HIS A 22 13.789 -9.927 -4.829 1.00 2.46 H new ATOM 319 N TRP A 23 11.451 -6.351 0.929 1.00 0.41 N ATOM 320 CA TRP A 23 10.723 -5.600 1.912 1.00 0.36 C ATOM 321 C TRP A 23 9.260 -5.532 1.565 1.00 0.32 C ATOM 322 O TRP A 23 8.879 -5.071 0.488 1.00 0.44 O ATOM 323 CB TRP A 23 11.330 -4.216 2.119 1.00 0.43 C ATOM 324 CG TRP A 23 12.641 -4.266 2.847 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.874 -4.479 2.318 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.835 -4.110 4.250 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.817 -4.454 3.306 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.203 -4.231 4.501 1.00 0.60 C ATOM 329 CE3 TRP A 23 11.979 -3.878 5.313 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.737 -4.126 5.774 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.501 -3.772 6.582 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.870 -3.896 6.803 1.00 0.86 C ATOM 0 H TRP A 23 11.923 -5.789 0.220 1.00 0.41 H new ATOM 0 HA TRP A 23 10.805 -6.124 2.864 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.474 -3.738 1.150 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.630 -3.596 2.680 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.079 -4.644 1.270 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.820 -4.582 3.171 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.916 -3.781 5.149 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.799 -4.222 5.946 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.840 -3.590 7.417 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.254 -3.808 7.809 1.00 0.86 H new ATOM 343 N CYS A 24 8.465 -6.044 2.462 1.00 0.27 N ATOM 344 CA CYS A 24 7.038 -6.105 2.312 1.00 0.25 C ATOM 345 C CYS A 24 6.390 -5.228 3.364 1.00 0.23 C ATOM 346 O CYS A 24 6.664 -5.384 4.568 1.00 0.25 O ATOM 347 CB CYS A 24 6.566 -7.577 2.449 1.00 0.28 C ATOM 348 SG CYS A 24 4.748 -7.854 2.407 1.00 0.30 S ATOM 0 H CYS A 24 8.800 -6.441 3.340 1.00 0.27 H new ATOM 0 HA CYS A 24 6.747 -5.741 1.326 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.020 -8.158 1.646 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.952 -7.974 3.388 1.00 0.28 H new ATOM 353 N ILE A 25 5.613 -4.271 2.911 1.00 0.20 N ATOM 354 CA ILE A 25 4.850 -3.396 3.776 1.00 0.19 C ATOM 355 C ILE A 25 3.389 -3.848 3.738 1.00 0.18 C ATOM 356 O ILE A 25 2.692 -3.620 2.736 1.00 0.18 O ATOM 357 CB ILE A 25 4.937 -1.912 3.308 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.404 -1.452 3.257 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.115 -1.003 4.231 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.598 -0.024 2.790 1.00 0.30 C ATOM 0 H ILE A 25 5.490 -4.074 1.918 1.00 0.20 H new ATOM 0 HA ILE A 25 5.257 -3.453 4.785 1.00 0.19 H new ATOM 0 HB ILE A 25 4.519 -1.842 2.304 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.840 -1.559 4.250 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.957 -2.116 2.593 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.190 0.028 3.886 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.071 -1.316 4.215 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.500 -1.074 5.248 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.661 0.216 2.785 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.196 0.087 1.783 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.077 0.654 3.466 1.00 0.30 H new ATOM 372 N PRO A 26 2.917 -4.534 4.789 1.00 0.20 N ATOM 373 CA PRO A 26 1.549 -5.030 4.848 1.00 0.21 C ATOM 374 C PRO A 26 0.550 -3.910 5.131 1.00 0.21 C ATOM 375 O PRO A 26 0.729 -3.113 6.072 1.00 0.23 O ATOM 376 CB PRO A 26 1.561 -6.036 6.020 1.00 0.25 C ATOM 377 CG PRO A 26 2.987 -6.126 6.472 1.00 0.28 C ATOM 378 CD PRO A 26 3.663 -4.873 6.006 1.00 0.24 C ATOM 0 HA PRO A 26 1.242 -5.473 3.901 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.915 -5.698 6.831 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.190 -7.010 5.702 1.00 0.25 H new ATOM 0 HG2 PRO A 26 3.045 -6.217 7.557 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.472 -7.007 6.052 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.603 -4.080 6.751 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.721 -5.037 5.800 1.00 0.24 H new ATOM 386 N PHE A 27 -0.493 -3.841 4.341 1.00 0.23 N ATOM 387 CA PHE A 27 -1.494 -2.831 4.528 1.00 0.25 C ATOM 388 C PHE A 27 -2.874 -3.429 4.418 1.00 0.25 C ATOM 389 O PHE A 27 -3.053 -4.558 3.922 1.00 0.30 O ATOM 390 CB PHE A 27 -1.334 -1.668 3.514 1.00 0.27 C ATOM 391 CG PHE A 27 -1.584 -2.009 2.065 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.872 -1.992 1.541 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.535 -2.335 1.230 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.100 -2.299 0.223 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.761 -2.641 -0.093 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.044 -2.625 -0.597 1.00 0.37 C ATOM 0 H PHE A 27 -0.667 -4.476 3.562 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.361 -2.421 5.529 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.016 -0.867 3.800 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.322 -1.272 3.603 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.704 -1.734 2.180 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.473 -2.350 1.618 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.106 -2.285 -0.170 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.068 -2.894 -0.737 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.220 -2.868 -1.634 1.00 0.37 H new ATOM 406 N SER A 28 -3.835 -2.716 4.913 1.00 0.25 N ATOM 407 CA SER A 28 -5.205 -3.072 4.764 1.00 0.28 C ATOM 408 C SER A 28 -6.036 -1.807 4.615 1.00 0.24 C ATOM 409 O SER A 28 -5.946 -0.886 5.437 1.00 0.27 O ATOM 410 CB SER A 28 -5.675 -3.951 5.928 1.00 0.41 C ATOM 411 OG SER A 28 -4.917 -5.166 5.967 1.00 0.88 O ATOM 0 H SER A 28 -3.684 -1.856 5.441 1.00 0.25 H new ATOM 0 HA SER A 28 -5.334 -3.670 3.862 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.562 -3.413 6.869 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.735 -4.178 5.817 1.00 0.41 H new ATOM 0 HG SER A 28 -5.383 -5.859 5.453 1.00 0.88 H new ATOM 417 N VAL A 29 -6.758 -1.747 3.539 1.00 0.23 N ATOM 418 CA VAL A 29 -7.609 -0.638 3.201 1.00 0.21 C ATOM 419 C VAL A 29 -9.022 -1.159 2.998 1.00 0.21 C ATOM 420 O VAL A 29 -9.259 -1.973 2.124 1.00 0.27 O ATOM 421 CB VAL A 29 -7.073 0.114 1.906 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.663 -0.867 0.817 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.127 1.047 1.334 1.00 0.26 C ATOM 0 H VAL A 29 -6.775 -2.494 2.844 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.608 0.091 4.011 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.203 0.689 2.223 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.302 -0.316 -0.052 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -5.870 -1.515 1.191 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.523 -1.473 0.531 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.730 1.546 0.450 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.012 0.472 1.060 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.397 1.793 2.081 1.00 0.26 H new ATOM 433 N ASP A 30 -9.936 -0.773 3.825 1.00 0.27 N ATOM 434 CA ASP A 30 -11.294 -1.238 3.629 1.00 0.35 C ATOM 435 C ASP A 30 -12.113 -0.156 3.006 1.00 0.37 C ATOM 436 O ASP A 30 -11.716 1.016 3.023 1.00 0.48 O ATOM 437 CB ASP A 30 -11.962 -1.797 4.907 1.00 0.51 C ATOM 438 CG ASP A 30 -12.394 -0.770 5.923 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.532 -0.246 6.642 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.618 -0.554 6.078 1.00 1.30 O ATOM 0 H ASP A 30 -9.789 -0.156 4.624 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.240 -2.090 2.951 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.835 -2.380 4.613 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.266 -2.485 5.387 1.00 0.51 H new ATOM 445 N GLY A 31 -13.186 -0.550 2.388 1.00 0.37 N ATOM 446 CA GLY A 31 -14.062 0.373 1.748 1.00 0.42 C ATOM 447 C GLY A 31 -14.830 -0.320 0.678 1.00 0.46 C ATOM 448 O GLY A 31 -14.268 -1.158 -0.038 1.00 0.60 O ATOM 0 H GLY A 31 -13.476 -1.525 2.316 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.746 0.805 2.478 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.489 1.197 1.322 1.00 0.42 H new ATOM 452 N GLN A 32 -16.104 -0.024 0.558 1.00 0.55 N ATOM 453 CA GLN A 32 -16.895 -0.687 -0.442 1.00 0.64 C ATOM 454 C GLN A 32 -16.806 0.059 -1.767 1.00 0.61 C ATOM 455 O GLN A 32 -16.578 -0.574 -2.790 1.00 0.68 O ATOM 456 CB GLN A 32 -18.327 -0.997 -0.005 1.00 0.76 C ATOM 457 CG GLN A 32 -18.992 -2.018 -0.913 1.00 0.99 C ATOM 458 CD GLN A 32 -20.361 -2.406 -0.448 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.521 -3.341 0.339 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.341 -1.730 -0.942 1.00 2.61 N ATOM 0 H GLN A 32 -16.603 0.658 1.129 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.462 -1.676 -0.590 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.320 -1.372 1.018 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.912 -0.078 -0.004 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.058 -1.611 -1.922 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -18.367 -2.909 -0.969 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.157 -0.964 -1.590 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.301 -1.961 -0.685 1.00 2.61 H new ATOM 469 N PRO A 33 -17.012 1.415 -1.815 1.00 0.59 N ATOM 470 CA PRO A 33 -16.598 2.162 -2.983 1.00 0.62 C ATOM 471 C PRO A 33 -15.083 2.029 -3.027 1.00 0.53 C ATOM 472 O PRO A 33 -14.386 2.418 -2.067 1.00 0.44 O ATOM 473 CB PRO A 33 -17.005 3.611 -2.664 1.00 0.67 C ATOM 474 CG PRO A 33 -18.059 3.488 -1.627 1.00 0.78 C ATOM 475 CD PRO A 33 -17.695 2.279 -0.826 1.00 0.63 C ATOM 0 HA PRO A 33 -17.026 1.837 -3.931 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.156 4.189 -2.299 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.380 4.121 -3.551 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -18.097 4.378 -0.999 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -19.044 3.376 -2.080 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.041 2.530 0.009 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.576 1.793 -0.406 1.00 0.63 H new ATOM 483 N ALA A 34 -14.589 1.463 -4.086 1.00 0.62 N ATOM 484 CA ALA A 34 -13.206 1.107 -4.180 1.00 0.60 C ATOM 485 C ALA A 34 -12.302 2.328 -4.313 1.00 0.52 C ATOM 486 O ALA A 34 -12.427 3.107 -5.269 1.00 0.63 O ATOM 487 CB ALA A 34 -13.012 0.128 -5.313 1.00 0.78 C ATOM 0 H ALA A 34 -15.138 1.234 -4.915 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.910 0.623 -3.249 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.958 -0.142 -5.384 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.605 -0.767 -5.126 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.333 0.586 -6.249 1.00 0.78 H new ATOM 493 N PRO A 35 -11.406 2.540 -3.334 1.00 0.39 N ATOM 494 CA PRO A 35 -10.483 3.662 -3.353 1.00 0.35 C ATOM 495 C PRO A 35 -9.213 3.344 -4.144 1.00 0.41 C ATOM 496 O PRO A 35 -8.776 2.185 -4.210 1.00 0.56 O ATOM 497 CB PRO A 35 -10.139 3.820 -1.871 1.00 0.29 C ATOM 498 CG PRO A 35 -10.124 2.422 -1.358 1.00 0.31 C ATOM 499 CD PRO A 35 -11.232 1.709 -2.103 1.00 0.37 C ATOM 0 HA PRO A 35 -10.908 4.549 -3.823 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.173 4.307 -1.734 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.879 4.429 -1.351 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.160 1.947 -1.539 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.294 2.397 -0.282 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.958 0.682 -2.346 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.149 1.664 -1.515 1.00 0.37 H new ATOM 507 N SER A 36 -8.643 4.344 -4.736 1.00 0.39 N ATOM 508 CA SER A 36 -7.389 4.193 -5.417 1.00 0.44 C ATOM 509 C SER A 36 -6.280 4.490 -4.419 1.00 0.37 C ATOM 510 O SER A 36 -6.418 5.419 -3.600 1.00 0.41 O ATOM 511 CB SER A 36 -7.333 5.156 -6.592 1.00 0.57 C ATOM 512 OG SER A 36 -8.481 4.995 -7.412 1.00 1.37 O ATOM 0 H SER A 36 -9.029 5.288 -4.764 1.00 0.39 H new ATOM 0 HA SER A 36 -7.272 3.181 -5.805 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.278 6.182 -6.229 1.00 0.57 H new ATOM 0 HB3 SER A 36 -6.431 4.976 -7.177 1.00 0.57 H new ATOM 0 HG SER A 36 -8.436 5.621 -8.165 1.00 1.37 H new ATOM 518 N LEU A 37 -5.220 3.709 -4.450 1.00 0.33 N ATOM 519 CA LEU A 37 -4.145 3.866 -3.500 1.00 0.30 C ATOM 520 C LEU A 37 -3.013 4.662 -4.090 1.00 0.32 C ATOM 521 O LEU A 37 -2.607 4.435 -5.224 1.00 0.50 O ATOM 522 CB LEU A 37 -3.611 2.516 -3.033 1.00 0.32 C ATOM 523 CG LEU A 37 -4.574 1.597 -2.294 1.00 0.32 C ATOM 524 CD1 LEU A 37 -3.846 0.354 -1.866 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.150 2.285 -1.086 1.00 0.27 C ATOM 0 H LEU A 37 -5.082 2.958 -5.126 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.556 4.401 -2.644 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.239 1.981 -3.907 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -2.755 2.699 -2.383 1.00 0.32 H new ATOM 0 HG LEU A 37 -5.392 1.337 -2.965 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -4.533 -0.306 -1.337 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -3.454 -0.159 -2.744 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.022 0.624 -1.206 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -5.835 1.609 -0.574 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.344 2.566 -0.408 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.689 3.179 -1.399 1.00 0.27 H new ATOM 537 N ARG A 38 -2.526 5.595 -3.342 1.00 0.23 N ATOM 538 CA ARG A 38 -1.414 6.394 -3.749 1.00 0.23 C ATOM 539 C ARG A 38 -0.378 6.430 -2.659 1.00 0.22 C ATOM 540 O ARG A 38 -0.684 6.728 -1.510 1.00 0.26 O ATOM 541 CB ARG A 38 -1.875 7.810 -4.147 1.00 0.28 C ATOM 542 CG ARG A 38 -0.760 8.784 -4.563 1.00 0.33 C ATOM 543 CD ARG A 38 0.175 8.180 -5.611 1.00 1.28 C ATOM 544 NE ARG A 38 -0.545 7.441 -6.647 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.056 6.362 -7.278 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.241 6.056 -7.181 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.845 5.609 -8.034 1.00 3.78 N ATOM 0 H ARG A 38 -2.892 5.829 -2.419 1.00 0.23 H new ATOM 0 HA ARG A 38 -0.958 5.944 -4.631 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.582 7.723 -4.972 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.417 8.245 -3.307 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.206 9.696 -4.960 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.182 9.068 -3.684 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.757 8.976 -6.076 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.883 7.513 -5.120 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.477 7.766 -6.906 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.863 6.643 -6.626 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.609 5.235 -7.662 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.831 5.849 -8.139 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.466 4.791 -8.510 1.00 3.78 H new ATOM 561 N TRP A 39 0.825 6.084 -3.015 1.00 0.22 N ATOM 562 CA TRP A 39 1.921 6.106 -2.094 1.00 0.22 C ATOM 563 C TRP A 39 2.689 7.393 -2.249 1.00 0.20 C ATOM 564 O TRP A 39 3.094 7.762 -3.365 1.00 0.26 O ATOM 565 CB TRP A 39 2.872 4.928 -2.336 1.00 0.25 C ATOM 566 CG TRP A 39 2.248 3.584 -2.153 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.691 2.800 -3.119 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.126 2.859 -0.924 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.231 1.633 -2.571 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.484 1.642 -1.222 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.501 3.120 0.400 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.204 0.688 -0.243 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.224 2.174 1.368 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.585 0.972 1.046 1.00 0.26 C ATOM 0 H TRP A 39 1.073 5.778 -3.956 1.00 0.22 H new ATOM 0 HA TRP A 39 1.514 6.027 -1.086 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.266 4.997 -3.350 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.721 5.017 -1.658 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.623 3.062 -4.165 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.774 0.878 -3.083 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.997 4.043 0.659 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.707 -0.238 -0.489 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.506 2.366 2.393 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.387 0.252 1.827 1.00 0.26 H new ATOM 585 N LEU A 40 2.830 8.102 -1.179 1.00 0.25 N ATOM 586 CA LEU A 40 3.675 9.250 -1.161 1.00 0.24 C ATOM 587 C LEU A 40 4.877 8.943 -0.317 1.00 0.27 C ATOM 588 O LEU A 40 4.749 8.455 0.816 1.00 0.34 O ATOM 589 CB LEU A 40 2.971 10.520 -0.655 1.00 0.31 C ATOM 590 CG LEU A 40 1.827 11.066 -1.508 1.00 0.49 C ATOM 591 CD1 LEU A 40 1.248 12.320 -0.875 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.320 11.375 -2.898 1.00 0.95 C ATOM 0 H LEU A 40 2.364 7.903 -0.294 1.00 0.25 H new ATOM 0 HA LEU A 40 3.967 9.465 -2.189 1.00 0.24 H new ATOM 0 HB2 LEU A 40 2.582 10.317 0.343 1.00 0.31 H new ATOM 0 HB3 LEU A 40 3.721 11.304 -0.552 1.00 0.31 H new ATOM 0 HG LEU A 40 1.045 10.309 -1.567 1.00 0.49 H new ATOM 0 HD11 LEU A 40 0.434 12.697 -1.494 1.00 0.66 H new ATOM 0 HD12 LEU A 40 0.868 12.084 0.119 1.00 0.66 H new ATOM 0 HD13 LEU A 40 2.026 13.080 -0.795 1.00 0.66 H new ATOM 0 HD21 LEU A 40 1.497 11.764 -3.498 1.00 0.95 H new ATOM 0 HD22 LEU A 40 3.114 12.120 -2.845 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.706 10.465 -3.358 1.00 0.95 H new ATOM 604 N PHE A 41 6.013 9.190 -0.867 1.00 0.28 N ATOM 605 CA PHE A 41 7.265 8.975 -0.220 1.00 0.35 C ATOM 606 C PHE A 41 7.796 10.327 0.182 1.00 0.38 C ATOM 607 O PHE A 41 8.208 11.108 -0.675 1.00 0.41 O ATOM 608 CB PHE A 41 8.235 8.276 -1.188 1.00 0.45 C ATOM 609 CG PHE A 41 9.606 8.041 -0.624 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.639 8.895 -0.929 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.855 6.959 0.215 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.894 8.684 -0.420 1.00 0.88 C ATOM 613 CE2 PHE A 41 11.112 6.743 0.728 1.00 0.74 C ATOM 614 CZ PHE A 41 12.131 7.608 0.420 1.00 0.86 C ATOM 0 H PHE A 41 6.103 9.560 -1.813 1.00 0.28 H new ATOM 0 HA PHE A 41 7.153 8.337 0.657 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.807 7.318 -1.484 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.325 8.878 -2.092 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.460 9.741 -1.576 1.00 0.75 H new ATOM 0 HD2 PHE A 41 9.052 6.282 0.466 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.699 9.357 -0.674 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.297 5.895 1.371 1.00 0.74 H new ATOM 0 HZ PHE A 41 13.117 7.451 0.832 1.00 0.86 H new ATOM 624 N ASN A 42 7.707 10.630 1.464 1.00 0.46 N ATOM 625 CA ASN A 42 8.157 11.922 2.025 1.00 0.57 C ATOM 626 C ASN A 42 7.375 13.092 1.407 1.00 0.53 C ATOM 627 O ASN A 42 7.890 14.208 1.243 1.00 0.69 O ATOM 628 CB ASN A 42 9.682 12.124 1.840 1.00 0.73 C ATOM 629 CG ASN A 42 10.537 11.178 2.677 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.137 10.060 3.015 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.729 11.600 2.993 1.00 1.72 N ATOM 0 H ASN A 42 7.321 9.994 2.161 1.00 0.46 H new ATOM 0 HA ASN A 42 7.954 11.901 3.096 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.931 11.988 0.788 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.936 13.152 2.098 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.355 11.002 3.532 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.035 12.528 2.701 1.00 1.72 H new ATOM 638 N GLY A 43 6.132 12.816 1.046 1.00 0.45 N ATOM 639 CA GLY A 43 5.274 13.793 0.415 1.00 0.51 C ATOM 640 C GLY A 43 5.433 13.813 -1.096 1.00 0.47 C ATOM 641 O GLY A 43 4.623 14.402 -1.807 1.00 0.61 O ATOM 0 H GLY A 43 5.694 11.906 1.185 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.236 13.576 0.666 1.00 0.51 H new ATOM 0 HA3 GLY A 43 5.499 14.782 0.814 1.00 0.51 H new ATOM 645 N SER A 44 6.455 13.157 -1.577 1.00 0.38 N ATOM 646 CA SER A 44 6.774 13.121 -2.976 1.00 0.40 C ATOM 647 C SER A 44 6.084 11.920 -3.588 1.00 0.33 C ATOM 648 O SER A 44 5.834 10.918 -2.919 1.00 0.28 O ATOM 649 CB SER A 44 8.304 13.043 -3.131 1.00 0.51 C ATOM 650 OG SER A 44 8.724 13.319 -4.461 1.00 1.37 O ATOM 0 H SER A 44 7.100 12.623 -0.995 1.00 0.38 H new ATOM 0 HA SER A 44 6.428 14.018 -3.491 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.773 13.752 -2.449 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.646 12.049 -2.843 1.00 0.51 H new ATOM 0 HG SER A 44 9.701 13.260 -4.514 1.00 1.37 H new ATOM 656 N VAL A 45 5.761 12.031 -4.837 1.00 0.41 N ATOM 657 CA VAL A 45 5.012 11.020 -5.523 1.00 0.41 C ATOM 658 C VAL A 45 5.857 9.784 -5.779 1.00 0.39 C ATOM 659 O VAL A 45 6.920 9.863 -6.401 1.00 0.45 O ATOM 660 CB VAL A 45 4.430 11.552 -6.858 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.733 10.455 -7.611 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.455 12.673 -6.611 1.00 0.70 C ATOM 0 H VAL A 45 6.011 12.832 -5.417 1.00 0.41 H new ATOM 0 HA VAL A 45 4.182 10.743 -4.873 1.00 0.41 H new ATOM 0 HB VAL A 45 5.264 11.925 -7.452 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.333 10.852 -8.544 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.442 9.657 -7.831 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.918 10.059 -7.006 1.00 0.68 H new ATOM 0 HG21 VAL A 45 3.061 13.029 -7.563 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.635 12.312 -5.991 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.963 13.491 -6.100 1.00 0.70 H new ATOM 672 N LEU A 46 5.407 8.666 -5.271 1.00 0.37 N ATOM 673 CA LEU A 46 6.052 7.414 -5.516 1.00 0.40 C ATOM 674 C LEU A 46 5.235 6.671 -6.557 1.00 0.44 C ATOM 675 O LEU A 46 4.021 6.471 -6.378 1.00 0.51 O ATOM 676 CB LEU A 46 6.152 6.595 -4.218 1.00 0.44 C ATOM 677 CG LEU A 46 6.862 5.237 -4.318 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.319 5.411 -4.724 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.761 4.485 -3.000 1.00 0.61 C ATOM 0 H LEU A 46 4.581 8.604 -4.676 1.00 0.37 H new ATOM 0 HA LEU A 46 7.068 7.575 -5.878 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.672 7.198 -3.473 1.00 0.44 H new ATOM 0 HB3 LEU A 46 5.143 6.426 -3.843 1.00 0.44 H new ATOM 0 HG LEU A 46 6.364 4.651 -5.091 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.798 4.434 -4.787 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.370 5.904 -5.695 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.834 6.020 -3.981 1.00 0.57 H new ATOM 0 HD21 LEU A 46 7.269 3.525 -3.089 1.00 0.61 H new ATOM 0 HD22 LEU A 46 7.229 5.072 -2.210 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.712 4.319 -2.756 1.00 0.61 H new ATOM 691 N ASN A 47 5.861 6.324 -7.647 1.00 0.54 N ATOM 692 CA ASN A 47 5.190 5.605 -8.706 1.00 0.59 C ATOM 693 C ASN A 47 5.497 4.127 -8.563 1.00 0.53 C ATOM 694 O ASN A 47 6.622 3.752 -8.219 1.00 0.64 O ATOM 695 CB ASN A 47 5.600 6.126 -10.113 1.00 0.79 C ATOM 696 CG ASN A 47 7.084 5.951 -10.446 1.00 1.54 C ATOM 697 OD1 ASN A 47 7.498 4.939 -11.011 1.00 2.47 O ATOM 698 ND2 ASN A 47 7.876 6.949 -10.138 1.00 1.94 N ATOM 0 H ASN A 47 6.844 6.527 -7.831 1.00 0.54 H new ATOM 0 HA ASN A 47 4.116 5.769 -8.617 1.00 0.59 H new ATOM 0 HB2 ASN A 47 5.008 5.606 -10.866 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.347 7.184 -10.183 1.00 0.79 H new ATOM 0 HD21 ASN A 47 8.869 6.901 -10.367 1.00 1.94 H new ATOM 0 HD22 ASN A 47 7.499 7.773 -9.670 1.00 1.94 H new ATOM 705 N GLU A 48 4.500 3.307 -8.758 1.00 0.49 N ATOM 706 CA GLU A 48 4.643 1.880 -8.618 1.00 0.53 C ATOM 707 C GLU A 48 5.380 1.299 -9.833 1.00 0.53 C ATOM 708 O GLU A 48 4.803 1.186 -10.934 1.00 0.70 O ATOM 709 CB GLU A 48 3.265 1.182 -8.465 1.00 0.69 C ATOM 710 CG GLU A 48 2.284 1.837 -7.481 1.00 0.74 C ATOM 711 CD GLU A 48 1.396 2.894 -8.132 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.915 3.950 -8.568 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.166 2.710 -8.201 1.00 1.74 O ATOM 0 H GLU A 48 3.562 3.609 -9.019 1.00 0.49 H new ATOM 0 HA GLU A 48 5.223 1.694 -7.714 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.791 1.139 -9.446 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.434 0.153 -8.148 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.654 1.065 -7.038 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.847 2.295 -6.668 1.00 0.74 H new ATOM 720 N THR A 49 6.626 0.927 -9.645 1.00 0.53 N ATOM 721 CA THR A 49 7.410 0.357 -10.710 1.00 0.58 C ATOM 722 C THR A 49 7.210 -1.162 -10.748 1.00 0.60 C ATOM 723 O THR A 49 6.331 -1.692 -10.068 1.00 0.65 O ATOM 724 CB THR A 49 8.927 0.671 -10.545 1.00 0.71 C ATOM 725 OG1 THR A 49 9.421 0.152 -9.292 1.00 1.57 O ATOM 726 CG2 THR A 49 9.185 2.166 -10.608 1.00 0.98 C ATOM 0 H THR A 49 7.119 1.011 -8.756 1.00 0.53 H new ATOM 0 HA THR A 49 7.070 0.805 -11.644 1.00 0.58 H new ATOM 0 HB THR A 49 9.454 0.188 -11.368 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.375 0.357 -9.207 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.252 2.356 -10.490 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.852 2.552 -11.571 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.637 2.664 -9.808 1.00 0.98 H new ATOM 734 N SER A 50 7.989 -1.864 -11.525 1.00 0.68 N ATOM 735 CA SER A 50 7.929 -3.305 -11.504 1.00 0.78 C ATOM 736 C SER A 50 8.726 -3.835 -10.300 1.00 0.72 C ATOM 737 O SER A 50 8.605 -4.999 -9.910 1.00 0.86 O ATOM 738 CB SER A 50 8.500 -3.855 -12.804 1.00 0.96 C ATOM 739 OG SER A 50 7.831 -3.279 -13.918 1.00 1.52 O ATOM 0 H SER A 50 8.668 -1.469 -12.176 1.00 0.68 H new ATOM 0 HA SER A 50 6.893 -3.630 -11.409 1.00 0.78 H new ATOM 0 HB2 SER A 50 9.567 -3.640 -12.861 1.00 0.96 H new ATOM 0 HB3 SER A 50 8.392 -4.939 -12.827 1.00 0.96 H new ATOM 0 HG SER A 50 8.208 -3.639 -14.748 1.00 1.52 H new ATOM 745 N PHE A 51 9.522 -2.954 -9.703 1.00 0.64 N ATOM 746 CA PHE A 51 10.364 -3.335 -8.599 1.00 0.68 C ATOM 747 C PHE A 51 9.703 -2.965 -7.287 1.00 0.55 C ATOM 748 O PHE A 51 9.764 -3.720 -6.329 1.00 0.61 O ATOM 749 CB PHE A 51 11.743 -2.691 -8.726 1.00 0.87 C ATOM 750 CG PHE A 51 12.403 -2.985 -10.046 1.00 1.08 C ATOM 751 CD1 PHE A 51 12.859 -4.261 -10.342 1.00 1.39 C ATOM 752 CD2 PHE A 51 12.556 -1.986 -10.997 1.00 1.16 C ATOM 753 CE1 PHE A 51 13.454 -4.533 -11.560 1.00 1.59 C ATOM 754 CE2 PHE A 51 13.152 -2.253 -12.214 1.00 1.37 C ATOM 755 CZ PHE A 51 13.601 -3.527 -12.495 1.00 1.52 C ATOM 0 H PHE A 51 9.594 -1.973 -9.973 1.00 0.64 H new ATOM 0 HA PHE A 51 10.501 -4.416 -8.618 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.648 -1.612 -8.605 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.382 -3.048 -7.918 1.00 0.87 H new ATOM 0 HD1 PHE A 51 12.748 -5.050 -9.613 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.205 -0.987 -10.783 1.00 1.16 H new ATOM 0 HE1 PHE A 51 13.803 -5.531 -11.780 1.00 1.59 H new ATOM 0 HE2 PHE A 51 13.266 -1.466 -12.945 1.00 1.37 H new ATOM 0 HZ PHE A 51 14.067 -3.738 -13.446 1.00 1.52 H new ATOM 765 N ILE A 52 9.079 -1.808 -7.252 1.00 0.46 N ATOM 766 CA ILE A 52 8.307 -1.394 -6.101 1.00 0.39 C ATOM 767 C ILE A 52 6.865 -1.510 -6.536 1.00 0.37 C ATOM 768 O ILE A 52 6.382 -0.665 -7.279 1.00 0.43 O ATOM 769 CB ILE A 52 8.579 0.101 -5.755 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.082 0.376 -5.649 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.881 0.494 -4.450 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.412 1.816 -5.326 1.00 0.50 C ATOM 0 H ILE A 52 9.092 -1.132 -8.015 1.00 0.46 H new ATOM 0 HA ILE A 52 8.556 -1.998 -5.228 1.00 0.39 H new ATOM 0 HB ILE A 52 8.173 0.707 -6.565 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.507 -0.267 -4.879 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.560 0.105 -6.590 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.085 1.542 -4.229 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.806 0.348 -4.554 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.254 -0.128 -3.636 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.494 1.937 -5.266 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.017 2.464 -6.108 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.964 2.086 -4.370 1.00 0.50 H new ATOM 784 N PHE A 53 6.175 -2.513 -6.083 1.00 0.33 N ATOM 785 CA PHE A 53 4.842 -2.736 -6.581 1.00 0.37 C ATOM 786 C PHE A 53 3.867 -3.041 -5.473 1.00 0.31 C ATOM 787 O PHE A 53 4.231 -3.601 -4.426 1.00 0.29 O ATOM 788 CB PHE A 53 4.827 -3.833 -7.677 1.00 0.48 C ATOM 789 CG PHE A 53 5.317 -5.200 -7.256 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.669 -5.502 -7.259 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.418 -6.186 -6.885 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.114 -6.756 -6.897 1.00 2.87 C ATOM 793 CE2 PHE A 53 4.857 -7.441 -6.522 1.00 2.02 C ATOM 794 CZ PHE A 53 6.206 -7.727 -6.529 1.00 2.89 C ATOM 0 H PHE A 53 6.500 -3.181 -5.384 1.00 0.33 H new ATOM 0 HA PHE A 53 4.511 -1.806 -7.042 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.807 -3.933 -8.048 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.438 -3.492 -8.513 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.384 -4.746 -7.549 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.360 -5.969 -6.880 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.171 -6.977 -6.902 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.145 -8.200 -6.232 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.551 -8.711 -6.247 1.00 2.89 H new ATOM 804 N THR A 54 2.641 -2.656 -5.691 1.00 0.35 N ATOM 805 CA THR A 54 1.603 -2.858 -4.743 1.00 0.35 C ATOM 806 C THR A 54 0.883 -4.161 -5.088 1.00 0.35 C ATOM 807 O THR A 54 0.187 -4.251 -6.103 1.00 0.40 O ATOM 808 CB THR A 54 0.602 -1.682 -4.794 1.00 0.39 C ATOM 809 OG1 THR A 54 1.327 -0.436 -4.748 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.330 -1.738 -3.602 1.00 0.44 C ATOM 0 H THR A 54 2.339 -2.188 -6.546 1.00 0.35 H new ATOM 0 HA THR A 54 2.024 -2.913 -3.739 1.00 0.35 H new ATOM 0 HB THR A 54 0.024 -1.753 -5.715 1.00 0.39 H new ATOM 0 HG1 THR A 54 0.761 0.285 -5.094 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.031 -0.904 -3.649 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.882 -2.678 -3.616 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.251 -1.672 -2.682 1.00 0.44 H new ATOM 818 N GLU A 55 1.065 -5.153 -4.274 1.00 0.36 N ATOM 819 CA GLU A 55 0.454 -6.425 -4.509 1.00 0.42 C ATOM 820 C GLU A 55 -0.760 -6.544 -3.625 1.00 0.44 C ATOM 821 O GLU A 55 -0.671 -6.359 -2.417 1.00 0.57 O ATOM 822 CB GLU A 55 1.444 -7.562 -4.240 1.00 0.60 C ATOM 823 CG GLU A 55 0.884 -8.950 -4.509 1.00 1.21 C ATOM 824 CD GLU A 55 1.893 -10.034 -4.267 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.508 -10.526 -5.235 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.101 -10.412 -3.112 1.00 2.04 O ATOM 0 H GLU A 55 1.638 -5.106 -3.432 1.00 0.36 H new ATOM 0 HA GLU A 55 0.152 -6.501 -5.554 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.329 -7.413 -4.859 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.769 -7.508 -3.201 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.016 -9.118 -3.872 1.00 1.21 H new ATOM 0 HG3 GLU A 55 0.537 -9.005 -5.541 1.00 1.21 H new ATOM 833 N PHE A 56 -1.882 -6.788 -4.223 1.00 0.52 N ATOM 834 CA PHE A 56 -3.112 -6.938 -3.494 1.00 0.62 C ATOM 835 C PHE A 56 -3.414 -8.406 -3.353 1.00 0.73 C ATOM 836 O PHE A 56 -3.092 -9.201 -4.253 1.00 0.87 O ATOM 837 CB PHE A 56 -4.258 -6.236 -4.222 1.00 0.68 C ATOM 838 CG PHE A 56 -4.084 -4.747 -4.358 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.638 -3.897 -3.433 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.375 -4.203 -5.419 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.495 -2.537 -3.556 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.226 -2.842 -5.547 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.787 -2.005 -4.615 1.00 0.61 C ATOM 0 H PHE A 56 -1.977 -6.890 -5.233 1.00 0.52 H new ATOM 0 HA PHE A 56 -3.007 -6.483 -2.509 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.362 -6.670 -5.216 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -5.188 -6.434 -3.689 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.192 -4.303 -2.600 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.933 -4.858 -6.155 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.938 -1.881 -2.821 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.670 -2.433 -6.378 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.675 -0.935 -4.710 1.00 0.61 H new ATOM 853 N LEU A 57 -4.006 -8.776 -2.257 1.00 0.77 N ATOM 854 CA LEU A 57 -4.336 -10.146 -2.030 1.00 0.93 C ATOM 855 C LEU A 57 -5.836 -10.245 -1.903 1.00 1.04 C ATOM 856 O LEU A 57 -6.502 -9.264 -1.537 1.00 1.04 O ATOM 857 CB LEU A 57 -3.572 -10.702 -0.787 1.00 1.01 C ATOM 858 CG LEU A 57 -3.956 -10.198 0.614 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.172 -10.950 1.150 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.784 -10.333 1.570 1.00 1.16 C ATOM 0 H LEU A 57 -4.271 -8.142 -1.503 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.019 -10.770 -2.866 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.686 -11.786 -0.789 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.512 -10.493 -0.932 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.217 -9.143 0.533 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.423 -10.575 2.142 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.018 -10.799 0.480 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.944 -12.014 1.211 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.075 -9.971 2.556 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.490 -11.380 1.640 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.944 -9.744 1.201 1.00 1.16 H new ATOM 872 N GLU A 58 -6.350 -11.398 -2.205 1.00 1.18 N ATOM 873 CA GLU A 58 -7.759 -11.646 -2.210 1.00 1.31 C ATOM 874 C GLU A 58 -8.267 -11.823 -0.785 1.00 1.24 C ATOM 875 O GLU A 58 -7.810 -12.722 -0.067 1.00 1.32 O ATOM 876 CB GLU A 58 -8.041 -12.909 -2.996 1.00 1.61 C ATOM 877 CG GLU A 58 -9.512 -13.181 -3.209 1.00 2.01 C ATOM 878 CD GLU A 58 -9.761 -14.519 -3.818 1.00 2.65 C ATOM 879 OE1 GLU A 58 -9.960 -15.505 -3.083 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.755 -14.620 -5.051 1.00 2.90 O ATOM 0 H GLU A 58 -5.789 -12.211 -2.460 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.267 -10.798 -2.669 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.550 -12.839 -3.967 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.596 -13.757 -2.475 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -10.032 -13.117 -2.253 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -9.932 -12.408 -3.853 1.00 2.01 H new ATOM 887 N PRO A 59 -9.202 -10.978 -0.359 1.00 1.21 N ATOM 888 CA PRO A 59 -9.805 -11.069 0.958 1.00 1.25 C ATOM 889 C PRO A 59 -10.899 -12.133 0.957 1.00 1.26 C ATOM 890 O PRO A 59 -11.272 -12.668 -0.111 1.00 1.35 O ATOM 891 CB PRO A 59 -10.425 -9.681 1.133 1.00 1.37 C ATOM 892 CG PRO A 59 -10.805 -9.263 -0.240 1.00 1.39 C ATOM 893 CD PRO A 59 -9.775 -9.862 -1.153 1.00 1.30 C ATOM 0 HA PRO A 59 -9.103 -11.340 1.747 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.293 -9.715 1.791 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.715 -8.983 1.577 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.804 -9.617 -0.493 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -10.820 -8.177 -0.327 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.222 -10.220 -2.080 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -9.012 -9.134 -1.427 1.00 1.30 H new ATOM 901 N ALA A 60 -11.383 -12.473 2.116 1.00 1.29 N ATOM 902 CA ALA A 60 -12.471 -13.395 2.218 1.00 1.40 C ATOM 903 C ALA A 60 -13.722 -12.612 1.898 1.00 1.40 C ATOM 904 O ALA A 60 -13.825 -11.463 2.266 1.00 1.33 O ATOM 905 CB ALA A 60 -12.537 -13.972 3.621 1.00 1.53 C ATOM 0 H ALA A 60 -11.037 -12.121 3.009 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.352 -14.234 1.532 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.369 -14.673 3.687 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.606 -14.492 3.845 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.684 -13.166 4.340 1.00 1.53 H new ATOM 911 N ALA A 61 -14.641 -13.244 1.178 1.00 1.55 N ATOM 912 CA ALA A 61 -15.860 -12.608 0.632 1.00 1.65 C ATOM 913 C ALA A 61 -16.691 -11.815 1.648 1.00 1.59 C ATOM 914 O ALA A 61 -17.438 -10.910 1.263 1.00 1.70 O ATOM 915 CB ALA A 61 -16.722 -13.637 -0.072 1.00 1.91 C ATOM 0 H ALA A 61 -14.569 -14.235 0.946 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.500 -11.865 -0.080 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.615 -13.154 -0.468 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.158 -14.085 -0.890 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.013 -14.413 0.636 1.00 1.91 H new ATOM 921 N ASN A 62 -16.584 -12.166 2.917 1.00 1.52 N ATOM 922 CA ASN A 62 -17.279 -11.440 3.976 1.00 1.56 C ATOM 923 C ASN A 62 -16.608 -10.088 4.225 1.00 1.33 C ATOM 924 O ASN A 62 -17.270 -9.097 4.532 1.00 1.40 O ATOM 925 CB ASN A 62 -17.307 -12.268 5.276 1.00 1.82 C ATOM 926 CG ASN A 62 -18.000 -11.576 6.461 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.630 -11.797 7.617 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.006 -10.771 6.204 1.00 3.19 N ATOM 0 H ASN A 62 -16.022 -12.951 3.244 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.306 -11.267 3.654 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.812 -13.213 5.078 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.282 -12.508 5.561 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.500 -10.312 6.969 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.293 -10.605 5.239 1.00 3.19 H new ATOM 935 N GLU A 63 -15.309 -10.045 4.032 1.00 1.20 N ATOM 936 CA GLU A 63 -14.535 -8.856 4.287 1.00 1.07 C ATOM 937 C GLU A 63 -14.762 -7.844 3.190 1.00 0.90 C ATOM 938 O GLU A 63 -14.900 -8.193 2.018 1.00 0.97 O ATOM 939 CB GLU A 63 -13.030 -9.157 4.301 1.00 1.16 C ATOM 940 CG GLU A 63 -12.566 -10.201 5.285 1.00 1.31 C ATOM 941 CD GLU A 63 -11.065 -10.383 5.226 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.348 -9.842 6.077 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.575 -11.075 4.305 1.00 1.89 O ATOM 0 H GLU A 63 -14.761 -10.836 3.693 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.853 -8.476 5.258 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.736 -9.475 3.301 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.498 -8.229 4.510 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.860 -9.910 6.293 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.058 -11.150 5.071 1.00 1.31 H new ATOM 950 N THR A 64 -14.813 -6.604 3.563 1.00 0.80 N ATOM 951 CA THR A 64 -14.808 -5.544 2.596 1.00 0.74 C ATOM 952 C THR A 64 -13.457 -4.821 2.751 1.00 0.59 C ATOM 953 O THR A 64 -13.246 -3.687 2.307 1.00 0.61 O ATOM 954 CB THR A 64 -15.992 -4.588 2.830 1.00 0.90 C ATOM 955 OG1 THR A 64 -17.168 -5.380 3.044 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.232 -3.716 1.606 1.00 1.15 C ATOM 0 H THR A 64 -14.859 -6.296 4.534 1.00 0.80 H new ATOM 0 HA THR A 64 -14.923 -5.929 1.583 1.00 0.74 H new ATOM 0 HB THR A 64 -15.770 -3.951 3.686 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.769 -4.913 3.661 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.073 -3.049 1.794 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.339 -3.126 1.399 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.456 -4.348 0.747 1.00 1.15 H new ATOM 964 N VAL A 65 -12.540 -5.531 3.397 1.00 0.53 N ATOM 965 CA VAL A 65 -11.228 -5.034 3.657 1.00 0.45 C ATOM 966 C VAL A 65 -10.303 -5.553 2.592 1.00 0.42 C ATOM 967 O VAL A 65 -10.140 -6.756 2.427 1.00 0.49 O ATOM 968 CB VAL A 65 -10.672 -5.471 5.029 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.391 -4.719 5.332 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.691 -5.289 6.137 1.00 0.61 C ATOM 0 H VAL A 65 -12.704 -6.473 3.751 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.291 -3.946 3.659 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.450 -6.537 4.980 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -9.005 -5.033 6.302 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.652 -4.934 4.560 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.594 -3.648 5.352 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.259 -5.609 7.085 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.973 -4.238 6.203 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.575 -5.889 5.921 1.00 0.61 H new ATOM 980 N ARG A 66 -9.700 -4.664 1.911 1.00 0.37 N ATOM 981 CA ARG A 66 -8.817 -4.960 0.828 1.00 0.36 C ATOM 982 C ARG A 66 -7.407 -5.025 1.402 1.00 0.34 C ATOM 983 O ARG A 66 -6.871 -4.029 1.885 1.00 0.41 O ATOM 984 CB ARG A 66 -8.985 -3.843 -0.198 1.00 0.42 C ATOM 985 CG ARG A 66 -8.161 -3.906 -1.452 1.00 1.13 C ATOM 986 CD ARG A 66 -8.487 -2.681 -2.293 1.00 1.10 C ATOM 987 NE ARG A 66 -7.775 -2.650 -3.555 1.00 0.82 N ATOM 988 CZ ARG A 66 -7.961 -1.737 -4.512 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.724 -0.681 -4.279 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.368 -1.874 -5.684 1.00 1.84 N ATOM 0 H ARG A 66 -9.803 -3.665 2.089 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.026 -5.911 0.338 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -10.035 -3.813 -0.490 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.765 -2.898 0.299 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -7.099 -3.929 -1.209 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -8.381 -4.818 -2.007 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -9.559 -2.656 -2.487 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.245 -1.783 -1.724 1.00 1.10 H new ATOM 0 HE ARG A 66 -7.081 -3.378 -3.725 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.170 -0.565 -3.369 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.866 0.017 -5.009 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -6.766 -2.679 -5.860 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.512 -1.175 -6.413 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.846 -6.203 1.419 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.545 -6.414 2.034 1.00 0.39 C ATOM 1006 C HIS A 67 -4.483 -6.487 0.956 1.00 0.35 C ATOM 1007 O HIS A 67 -4.787 -6.818 -0.198 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.521 -7.719 2.853 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.567 -7.850 3.934 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.378 -7.432 5.228 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.802 -8.405 3.904 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.441 -7.726 5.945 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.323 -8.315 5.164 1.00 0.90 N ATOM 0 H HIS A 67 -7.264 -7.041 1.015 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.347 -5.579 2.706 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.633 -8.557 2.165 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.538 -7.815 3.314 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.286 -8.839 3.042 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.569 -7.519 6.997 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.243 -8.649 5.452 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.257 -6.184 1.311 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.190 -6.260 0.359 1.00 0.31 C ATOM 1024 C GLY A 68 -0.860 -5.914 0.971 1.00 0.24 C ATOM 1025 O GLY A 68 -0.765 -5.684 2.184 1.00 0.26 O ATOM 0 H GLY A 68 -2.981 -5.885 2.246 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.146 -7.267 -0.056 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.395 -5.582 -0.469 1.00 0.31 H new ATOM 1029 N CYS A 69 0.145 -5.857 0.142 1.00 0.21 N ATOM 1030 CA CYS A 69 1.491 -5.544 0.554 1.00 0.20 C ATOM 1031 C CYS A 69 2.219 -4.743 -0.519 1.00 0.19 C ATOM 1032 O CYS A 69 2.114 -5.044 -1.716 1.00 0.22 O ATOM 1033 CB CYS A 69 2.286 -6.833 0.853 1.00 0.25 C ATOM 1034 SG CYS A 69 4.098 -6.566 0.995 1.00 0.36 S ATOM 0 H CYS A 69 0.053 -6.030 -0.859 1.00 0.21 H new ATOM 0 HA CYS A 69 1.423 -4.944 1.461 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.918 -7.269 1.782 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.095 -7.559 0.062 1.00 0.25 H new ATOM 1039 N LEU A 70 2.907 -3.699 -0.109 1.00 0.20 N ATOM 1040 CA LEU A 70 3.798 -3.004 -1.002 1.00 0.22 C ATOM 1041 C LEU A 70 5.118 -3.711 -0.867 1.00 0.23 C ATOM 1042 O LEU A 70 5.770 -3.620 0.175 1.00 0.24 O ATOM 1043 CB LEU A 70 3.970 -1.525 -0.626 1.00 0.24 C ATOM 1044 CG LEU A 70 4.855 -0.698 -1.582 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.204 -0.540 -2.937 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.194 0.654 -1.004 1.00 0.28 C ATOM 0 H LEU A 70 2.864 -3.316 0.836 1.00 0.20 H new ATOM 0 HA LEU A 70 3.403 -3.015 -2.018 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.984 -1.062 -0.579 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.396 -1.469 0.376 1.00 0.24 H new ATOM 0 HG LEU A 70 5.785 -1.252 -1.709 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.853 0.047 -3.586 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.041 -1.523 -3.379 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.247 -0.030 -2.824 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.818 1.205 -1.708 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.276 1.212 -0.820 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.733 0.524 -0.066 1.00 0.28 H new ATOM 1058 N ARG A 71 5.482 -4.446 -1.860 1.00 0.30 N ATOM 1059 CA ARG A 71 6.659 -5.252 -1.774 1.00 0.35 C ATOM 1060 C ARG A 71 7.678 -4.838 -2.798 1.00 0.36 C ATOM 1061 O ARG A 71 7.363 -4.637 -3.976 1.00 0.42 O ATOM 1062 CB ARG A 71 6.306 -6.745 -1.846 1.00 0.51 C ATOM 1063 CG ARG A 71 5.486 -7.139 -3.060 1.00 1.20 C ATOM 1064 CD ARG A 71 4.985 -8.568 -2.960 1.00 1.20 C ATOM 1065 NE ARG A 71 6.067 -9.555 -2.849 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.879 -10.882 -2.824 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.663 -11.384 -2.962 1.00 1.98 N ATOM 1068 NH2 ARG A 71 6.907 -11.703 -2.679 1.00 2.68 N ATOM 0 H ARG A 71 4.982 -4.509 -2.747 1.00 0.30 H new ATOM 0 HA ARG A 71 7.122 -5.088 -0.801 1.00 0.35 H new ATOM 0 HB2 ARG A 71 7.229 -7.324 -1.843 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.755 -7.019 -0.946 1.00 0.51 H new ATOM 0 HG2 ARG A 71 4.638 -6.462 -3.161 1.00 1.20 H new ATOM 0 HG3 ARG A 71 6.091 -7.028 -3.960 1.00 1.20 H new ATOM 0 HD2 ARG A 71 4.331 -8.657 -2.093 1.00 1.20 H new ATOM 0 HD3 ARG A 71 4.382 -8.797 -3.839 1.00 1.20 H new ATOM 0 HE ARG A 71 7.024 -9.208 -2.787 1.00 1.43 H new ATOM 0 HH11 ARG A 71 3.865 -10.761 -3.088 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.523 -12.394 -2.943 1.00 1.98 H new ATOM 0 HH21 ARG A 71 7.851 -11.327 -2.585 1.00 2.68 H new ATOM 0 HH22 ARG A 71 6.756 -12.712 -2.661 1.00 2.68 H new ATOM 1082 N LEU A 72 8.875 -4.652 -2.334 1.00 0.37 N ATOM 1083 CA LEU A 72 9.952 -4.222 -3.167 1.00 0.42 C ATOM 1084 C LEU A 72 10.854 -5.379 -3.516 1.00 0.44 C ATOM 1085 O LEU A 72 11.483 -5.991 -2.643 1.00 0.49 O ATOM 1086 CB LEU A 72 10.760 -3.072 -2.523 1.00 0.50 C ATOM 1087 CG LEU A 72 10.010 -1.739 -2.311 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.035 -1.787 -1.135 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.970 -0.581 -2.168 1.00 0.61 C ATOM 0 H LEU A 72 9.133 -4.796 -1.358 1.00 0.37 H new ATOM 0 HA LEU A 72 9.514 -3.834 -4.086 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.129 -3.414 -1.556 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.633 -2.877 -3.146 1.00 0.50 H new ATOM 0 HG LEU A 72 9.413 -1.580 -3.209 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.538 -0.822 -1.035 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.290 -2.563 -1.311 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.581 -2.010 -0.218 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.408 0.341 -2.020 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.620 -0.751 -1.310 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.575 -0.496 -3.071 1.00 0.61 H new ATOM 1101 N ASN A 73 10.874 -5.699 -4.801 1.00 0.56 N ATOM 1102 CA ASN A 73 11.725 -6.752 -5.345 1.00 0.72 C ATOM 1103 C ASN A 73 13.181 -6.312 -5.251 1.00 0.73 C ATOM 1104 O ASN A 73 14.069 -7.105 -4.931 1.00 0.87 O ATOM 1105 CB ASN A 73 11.348 -7.071 -6.804 1.00 0.90 C ATOM 1106 CG ASN A 73 12.135 -8.250 -7.384 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.538 -9.176 -6.661 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.331 -8.249 -8.682 1.00 1.84 N ATOM 0 H ASN A 73 10.297 -5.234 -5.502 1.00 0.56 H new ATOM 0 HA ASN A 73 11.581 -7.663 -4.764 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.282 -7.292 -6.857 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.522 -6.188 -7.419 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.826 -9.024 -9.124 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.988 -7.474 -9.249 1.00 1.84 H new ATOM 1115 N GLN A 74 13.420 -5.048 -5.515 1.00 0.66 N ATOM 1116 CA GLN A 74 14.725 -4.485 -5.319 1.00 0.72 C ATOM 1117 C GLN A 74 14.603 -3.370 -4.299 1.00 0.66 C ATOM 1118 O GLN A 74 14.118 -2.280 -4.622 1.00 0.69 O ATOM 1119 CB GLN A 74 15.308 -3.914 -6.623 1.00 0.86 C ATOM 1120 CG GLN A 74 15.503 -4.922 -7.741 1.00 1.58 C ATOM 1121 CD GLN A 74 16.126 -4.297 -8.984 1.00 2.11 C ATOM 1122 OE1 GLN A 74 15.950 -3.105 -9.261 1.00 2.82 O ATOM 1123 NE2 GLN A 74 16.844 -5.085 -9.739 1.00 2.58 N ATOM 0 H GLN A 74 12.722 -4.393 -5.867 1.00 0.66 H new ATOM 0 HA GLN A 74 15.398 -5.271 -4.976 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.649 -3.122 -6.980 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.270 -3.452 -6.400 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.139 -5.734 -7.388 1.00 1.58 H new ATOM 0 HG3 GLN A 74 14.540 -5.362 -8.002 1.00 1.58 H new ATOM 0 HE21 GLN A 74 16.969 -6.064 -9.481 1.00 2.58 H new ATOM 0 HE22 GLN A 74 17.280 -4.721 -10.587 1.00 2.58 H new ATOM 1132 N PRO A 75 14.962 -3.636 -3.046 1.00 0.75 N ATOM 1133 CA PRO A 75 15.008 -2.614 -2.007 1.00 0.84 C ATOM 1134 C PRO A 75 16.191 -1.707 -2.246 1.00 0.81 C ATOM 1135 O PRO A 75 17.286 -2.182 -2.561 1.00 0.83 O ATOM 1136 CB PRO A 75 15.210 -3.417 -0.720 1.00 1.06 C ATOM 1137 CG PRO A 75 14.867 -4.813 -1.094 1.00 1.25 C ATOM 1138 CD PRO A 75 15.296 -4.956 -2.509 1.00 0.93 C ATOM 0 HA PRO A 75 14.118 -1.985 -1.977 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.237 -3.343 -0.363 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.567 -3.051 0.081 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.381 -5.529 -0.453 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.798 -4.998 -0.986 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.360 -5.178 -2.595 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.761 -5.756 -3.022 1.00 0.93 H new ATOM 1146 N THR A 76 15.978 -0.427 -2.124 1.00 0.86 N ATOM 1147 CA THR A 76 16.989 0.543 -2.419 1.00 0.90 C ATOM 1148 C THR A 76 17.088 1.603 -1.319 1.00 0.84 C ATOM 1149 O THR A 76 16.094 1.943 -0.672 1.00 0.79 O ATOM 1150 CB THR A 76 16.639 1.221 -3.750 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.246 1.590 -3.747 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.939 0.312 -4.935 1.00 1.22 C ATOM 0 H THR A 76 15.092 -0.027 -1.815 1.00 0.86 H new ATOM 0 HA THR A 76 17.952 0.037 -2.482 1.00 0.90 H new ATOM 0 HB THR A 76 17.256 2.113 -3.855 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.013 1.996 -4.608 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.679 0.824 -5.861 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.000 0.063 -4.943 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.353 -0.603 -4.849 1.00 1.22 H new ATOM 1160 N HIS A 77 18.303 2.129 -1.131 1.00 0.92 N ATOM 1161 CA HIS A 77 18.597 3.184 -0.143 1.00 0.94 C ATOM 1162 C HIS A 77 17.995 4.515 -0.535 1.00 0.81 C ATOM 1163 O HIS A 77 18.157 5.493 0.156 1.00 0.85 O ATOM 1164 CB HIS A 77 20.110 3.326 0.216 1.00 1.20 C ATOM 1165 CG HIS A 77 21.063 3.698 -0.904 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.656 2.773 -1.720 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.564 4.894 -1.285 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.480 3.372 -2.540 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.447 4.657 -2.304 1.00 1.72 N ATOM 0 H HIS A 77 19.121 1.834 -1.664 1.00 0.92 H new ATOM 0 HA HIS A 77 18.110 2.849 0.773 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.201 4.079 0.999 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.445 2.380 0.643 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.314 5.857 -0.864 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.087 2.885 -3.289 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.989 5.366 -2.797 1.00 1.72 H new ATOM 1178 N VAL A 78 17.393 4.563 -1.700 1.00 0.83 N ATOM 1179 CA VAL A 78 16.653 5.733 -2.120 1.00 0.92 C ATOM 1180 C VAL A 78 15.215 5.677 -1.572 1.00 0.90 C ATOM 1181 O VAL A 78 14.468 6.656 -1.679 1.00 1.08 O ATOM 1182 CB VAL A 78 16.622 5.931 -3.673 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.018 6.058 -4.241 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.869 4.820 -4.377 1.00 1.14 C ATOM 0 H VAL A 78 17.401 3.801 -2.378 1.00 0.83 H new ATOM 0 HA VAL A 78 17.182 6.592 -1.707 1.00 0.92 H new ATOM 0 HB VAL A 78 16.086 6.863 -3.855 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.960 6.194 -5.321 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.516 6.918 -3.793 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.585 5.154 -4.019 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.875 5.001 -5.452 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.350 3.865 -4.167 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.840 4.794 -4.019 1.00 1.14 H new ATOM 1194 N ASN A 79 14.820 4.516 -0.999 1.00 0.78 N ATOM 1195 CA ASN A 79 13.455 4.348 -0.505 1.00 0.90 C ATOM 1196 C ASN A 79 13.374 4.143 1.005 1.00 0.78 C ATOM 1197 O ASN A 79 12.433 3.541 1.518 1.00 0.96 O ATOM 1198 CB ASN A 79 12.691 3.244 -1.236 1.00 1.13 C ATOM 1199 CG ASN A 79 12.239 3.666 -2.610 1.00 1.40 C ATOM 1200 OD1 ASN A 79 11.177 4.251 -2.783 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.026 3.390 -3.590 1.00 1.22 N ATOM 0 H ASN A 79 15.422 3.702 -0.874 1.00 0.78 H new ATOM 0 HA ASN A 79 12.967 5.297 -0.727 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.326 2.362 -1.321 1.00 1.13 H new ATOM 0 HB3 ASN A 79 11.822 2.955 -0.644 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.771 3.660 -4.540 1.00 1.22 H new ATOM 0 HD22 ASN A 79 13.905 2.902 -3.417 1.00 1.22 H new ATOM 1208 N ASN A 80 14.341 4.647 1.715 1.00 0.64 N ATOM 1209 CA ASN A 80 14.357 4.540 3.170 1.00 0.59 C ATOM 1210 C ASN A 80 13.739 5.793 3.794 1.00 0.56 C ATOM 1211 O ASN A 80 14.425 6.650 4.362 1.00 0.88 O ATOM 1212 CB ASN A 80 15.793 4.253 3.698 1.00 0.72 C ATOM 1213 CG ASN A 80 16.840 5.306 3.336 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.694 6.043 2.365 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.913 5.351 4.080 1.00 1.43 N ATOM 0 H ASN A 80 15.140 5.142 1.320 1.00 0.64 H new ATOM 0 HA ASN A 80 13.746 3.689 3.471 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.753 4.162 4.783 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.120 3.289 3.309 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.659 6.012 3.860 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.005 4.726 4.880 1.00 1.43 H new ATOM 1222 N GLY A 81 12.437 5.902 3.683 1.00 0.46 N ATOM 1223 CA GLY A 81 11.757 7.081 4.146 1.00 0.49 C ATOM 1224 C GLY A 81 10.367 6.805 4.646 1.00 0.43 C ATOM 1225 O GLY A 81 10.062 5.679 5.087 1.00 0.40 O ATOM 0 H GLY A 81 11.831 5.189 3.277 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.340 7.538 4.946 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.707 7.806 3.334 1.00 0.49 H new ATOM 1229 N ASN A 82 9.515 7.803 4.566 1.00 0.45 N ATOM 1230 CA ASN A 82 8.174 7.700 5.092 1.00 0.44 C ATOM 1231 C ASN A 82 7.202 7.397 3.973 1.00 0.37 C ATOM 1232 O ASN A 82 7.125 8.138 2.981 1.00 0.46 O ATOM 1233 CB ASN A 82 7.735 9.002 5.766 1.00 0.56 C ATOM 1234 CG ASN A 82 6.444 8.841 6.562 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.334 8.936 6.027 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.578 8.670 7.853 1.00 1.65 N ATOM 0 H ASN A 82 9.731 8.703 4.137 1.00 0.45 H new ATOM 0 HA ASN A 82 8.175 6.898 5.830 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.527 9.348 6.430 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.596 9.772 5.007 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.752 8.611 8.448 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.509 8.595 8.264 1.00 1.65 H new ATOM 1243 N TYR A 83 6.481 6.335 4.127 1.00 0.29 N ATOM 1244 CA TYR A 83 5.488 5.928 3.179 1.00 0.27 C ATOM 1245 C TYR A 83 4.130 6.316 3.695 1.00 0.28 C ATOM 1246 O TYR A 83 3.710 5.863 4.762 1.00 0.47 O ATOM 1247 CB TYR A 83 5.537 4.414 2.960 1.00 0.34 C ATOM 1248 CG TYR A 83 6.759 3.918 2.228 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.651 3.437 0.937 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.017 3.930 2.820 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.751 2.981 0.255 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.122 3.478 2.140 1.00 0.55 C ATOM 1253 CZ TYR A 83 8.979 3.001 0.858 1.00 0.60 C ATOM 1254 OH TYR A 83 10.063 2.553 0.178 1.00 0.69 O ATOM 0 H TYR A 83 6.565 5.712 4.930 1.00 0.29 H new ATOM 0 HA TYR A 83 5.684 6.421 2.227 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.487 3.919 3.930 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.650 4.113 2.402 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.684 3.420 0.456 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.127 4.300 3.829 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.648 2.608 -0.753 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.095 3.497 2.608 1.00 0.55 H new ATOM 0 HH TYR A 83 10.862 2.649 0.737 1.00 0.69 H new ATOM 1264 N THR A 84 3.480 7.172 2.994 1.00 0.22 N ATOM 1265 CA THR A 84 2.163 7.577 3.346 1.00 0.23 C ATOM 1266 C THR A 84 1.201 7.021 2.306 1.00 0.22 C ATOM 1267 O THR A 84 1.371 7.259 1.104 1.00 0.26 O ATOM 1268 CB THR A 84 2.074 9.112 3.413 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.134 9.602 4.265 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.730 9.564 3.977 1.00 0.33 C ATOM 0 H THR A 84 3.847 7.616 2.153 1.00 0.22 H new ATOM 0 HA THR A 84 1.901 7.191 4.331 1.00 0.23 H new ATOM 0 HB THR A 84 2.173 9.511 2.404 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.525 8.854 4.763 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.698 10.653 4.012 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.074 9.197 3.339 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.605 9.165 4.984 1.00 0.33 H new ATOM 1278 N LEU A 85 0.247 6.250 2.758 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.708 5.628 1.884 1.00 0.19 C ATOM 1280 C LEU A 85 -1.987 6.426 1.874 1.00 0.18 C ATOM 1281 O LEU A 85 -2.607 6.637 2.922 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.983 4.176 2.313 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.967 3.386 1.447 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.485 3.336 0.034 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.136 1.981 1.974 1.00 0.22 C ATOM 0 H LEU A 85 0.111 6.036 3.746 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.294 5.606 0.876 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.035 3.639 2.329 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.360 4.187 3.336 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.932 3.892 1.482 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.193 2.771 -0.572 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.400 4.350 -0.357 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.510 2.850 -0.001 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.840 1.438 1.343 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.173 1.471 1.966 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.518 2.019 2.994 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.334 6.905 0.716 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.544 7.647 0.508 1.00 0.22 C ATOM 1299 C LEU A 86 -4.528 6.766 -0.217 1.00 0.22 C ATOM 1300 O LEU A 86 -4.179 6.144 -1.218 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.303 8.923 -0.352 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.417 10.059 0.214 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.939 10.561 1.538 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.961 9.649 0.326 1.00 0.32 C ATOM 0 H LEU A 86 -1.773 6.789 -0.128 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.922 7.957 1.482 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.863 8.604 -1.297 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.278 9.352 -0.583 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.468 10.880 -0.502 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.292 11.358 1.906 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.951 10.945 1.408 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.951 9.743 2.258 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.379 10.479 0.728 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.875 8.790 0.991 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.581 9.383 -0.660 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.714 6.677 0.293 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.777 5.967 -0.372 1.00 0.23 C ATOM 1318 C ALA A 87 -7.919 6.918 -0.526 1.00 0.29 C ATOM 1319 O ALA A 87 -8.413 7.450 0.466 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.214 4.758 0.435 1.00 0.24 C ATOM 0 H ALA A 87 -5.981 7.093 1.185 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.434 5.605 -1.341 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.017 4.241 -0.090 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.369 4.081 0.563 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.570 5.083 1.413 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.329 7.155 -1.726 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.381 8.105 -1.962 1.00 0.45 C ATOM 1328 C ALA A 88 -10.564 7.462 -2.635 1.00 0.37 C ATOM 1329 O ALA A 88 -10.421 6.805 -3.680 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.863 9.275 -2.785 1.00 0.61 C ATOM 0 H ALA A 88 -7.957 6.708 -2.564 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.717 8.480 -0.995 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.671 9.986 -2.956 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.053 9.768 -2.247 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.493 8.910 -3.743 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.709 7.607 -2.020 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.969 7.162 -2.582 1.00 0.58 C ATOM 1338 C ASN A 89 -14.004 8.251 -2.290 1.00 0.57 C ATOM 1339 O ASN A 89 -13.659 9.197 -1.572 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.422 5.745 -2.053 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.737 5.627 -0.556 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.069 6.596 0.126 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.738 4.407 -0.068 1.00 1.18 N ATOM 0 H ASN A 89 -11.799 8.043 -1.102 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.858 7.020 -3.657 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.309 5.443 -2.610 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.637 5.028 -2.291 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.019 4.245 0.899 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.458 3.622 -0.656 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.245 8.195 -2.856 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.294 9.212 -2.606 1.00 0.68 C ATOM 1352 C PRO A 90 -16.465 9.611 -1.121 1.00 0.56 C ATOM 1353 O PRO A 90 -16.667 10.789 -0.813 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.546 8.525 -3.117 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.065 7.721 -4.265 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.723 7.193 -3.851 1.00 0.74 C ATOM 0 HA PRO A 90 -16.049 10.156 -3.093 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.999 7.896 -2.350 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.302 9.248 -3.424 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.754 6.907 -4.490 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.986 8.330 -5.165 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.801 6.198 -3.413 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.043 7.115 -4.700 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.336 8.647 -0.214 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.501 8.918 1.215 1.00 0.50 C ATOM 1366 C CYS A 91 -15.436 9.898 1.709 1.00 0.46 C ATOM 1367 O CYS A 91 -15.759 10.925 2.333 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.466 7.623 2.045 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.566 7.888 3.853 1.00 1.10 S ATOM 0 H CYS A 91 -16.119 7.676 -0.439 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.482 9.373 1.349 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.294 6.984 1.736 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.546 7.084 1.818 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.188 9.624 1.390 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.132 10.490 1.814 1.00 0.58 C ATOM 1376 C GLY A 92 -11.789 9.963 1.420 1.00 0.49 C ATOM 1377 O GLY A 92 -11.690 8.917 0.744 1.00 0.59 O ATOM 0 H GLY A 92 -13.892 8.815 0.844 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.276 11.479 1.379 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.172 10.609 2.897 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.774 10.673 1.813 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.422 10.294 1.569 1.00 0.42 C ATOM 1383 C GLN A 93 -8.817 9.853 2.881 1.00 0.41 C ATOM 1384 O GLN A 93 -8.789 10.614 3.855 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.620 11.464 0.985 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.160 11.131 0.692 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.380 12.320 0.175 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.306 12.563 -1.032 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.796 13.069 1.070 1.00 1.33 N ATOM 0 H GLN A 93 -10.869 11.551 2.323 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.394 9.482 0.843 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.099 11.795 0.063 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.658 12.301 1.682 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.687 10.760 1.601 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.116 10.326 -0.042 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.878 12.838 2.060 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.257 13.885 0.779 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.337 8.654 2.908 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.745 8.087 4.080 1.00 0.33 C ATOM 1400 C ALA A 94 -6.254 8.140 3.930 1.00 0.31 C ATOM 1401 O ALA A 94 -5.744 8.074 2.808 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.188 6.658 4.239 1.00 0.37 C ATOM 0 H ALA A 94 -8.344 8.027 2.103 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.055 8.648 4.962 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.733 6.233 5.134 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.273 6.622 4.332 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.879 6.082 3.367 1.00 0.37 H new ATOM 1408 N SER A 95 -5.564 8.271 5.025 1.00 0.36 N ATOM 1409 CA SER A 95 -4.140 8.372 4.998 1.00 0.37 C ATOM 1410 C SER A 95 -3.530 7.741 6.234 1.00 0.38 C ATOM 1411 O SER A 95 -4.094 7.836 7.328 1.00 0.57 O ATOM 1412 CB SER A 95 -3.751 9.842 4.873 1.00 0.43 C ATOM 1413 OG SER A 95 -4.480 10.631 5.800 1.00 0.50 O ATOM 0 H SER A 95 -5.974 8.310 5.958 1.00 0.36 H new ATOM 0 HA SER A 95 -3.751 7.827 4.138 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.682 9.957 5.050 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.945 10.190 3.859 1.00 0.43 H new ATOM 0 HG SER A 95 -4.217 11.571 5.708 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.430 7.066 6.047 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.680 6.460 7.122 1.00 0.27 C ATOM 1421 C ALA A 96 -0.225 6.500 6.732 1.00 0.23 C ATOM 1422 O ALA A 96 0.079 6.571 5.534 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.131 5.023 7.356 1.00 0.30 C ATOM 0 H ALA A 96 -2.018 6.916 5.126 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.845 7.004 8.052 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.552 4.588 8.170 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.189 5.012 7.617 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.975 4.440 6.448 1.00 0.30 H new ATOM 1429 N SER A 97 0.662 6.460 7.688 1.00 0.26 N ATOM 1430 CA SER A 97 2.068 6.539 7.402 1.00 0.28 C ATOM 1431 C SER A 97 2.853 5.427 8.097 1.00 0.25 C ATOM 1432 O SER A 97 2.487 4.971 9.187 1.00 0.38 O ATOM 1433 CB SER A 97 2.585 7.927 7.782 1.00 0.41 C ATOM 1434 OG SER A 97 2.139 8.295 9.087 1.00 1.26 O ATOM 0 H SER A 97 0.434 6.373 8.678 1.00 0.26 H new ATOM 0 HA SER A 97 2.218 6.391 6.333 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.674 7.936 7.749 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.239 8.661 7.054 1.00 0.41 H new ATOM 0 HG SER A 97 2.482 9.185 9.311 1.00 1.26 H new ATOM 1440 N ILE A 98 3.891 4.974 7.446 1.00 0.25 N ATOM 1441 CA ILE A 98 4.768 3.952 7.960 1.00 0.28 C ATOM 1442 C ILE A 98 6.170 4.288 7.460 1.00 0.28 C ATOM 1443 O ILE A 98 6.330 4.745 6.332 1.00 0.30 O ATOM 1444 CB ILE A 98 4.265 2.515 7.489 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.063 1.326 8.115 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.233 2.397 5.963 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.421 1.029 7.493 1.00 0.37 C ATOM 0 H ILE A 98 4.158 5.312 6.522 1.00 0.25 H new ATOM 0 HA ILE A 98 4.774 3.921 9.050 1.00 0.28 H new ATOM 0 HB ILE A 98 3.247 2.434 7.869 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.209 1.531 9.175 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.450 0.427 8.046 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.885 1.403 5.682 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.556 3.147 5.554 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.235 2.556 5.565 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.881 0.186 8.008 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.293 0.784 6.439 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.063 1.905 7.586 1.00 0.37 H new ATOM 1459 N MET A 99 7.164 4.146 8.288 1.00 0.34 N ATOM 1460 CA MET A 99 8.502 4.454 7.864 1.00 0.41 C ATOM 1461 C MET A 99 9.327 3.189 7.766 1.00 0.40 C ATOM 1462 O MET A 99 9.436 2.419 8.733 1.00 0.51 O ATOM 1463 CB MET A 99 9.170 5.464 8.790 1.00 0.59 C ATOM 1464 CG MET A 99 10.497 5.943 8.254 1.00 0.85 C ATOM 1465 SD MET A 99 11.268 7.208 9.257 1.00 1.25 S ATOM 1466 CE MET A 99 12.593 7.663 8.149 1.00 1.18 C ATOM 0 H MET A 99 7.077 3.822 9.251 1.00 0.34 H new ATOM 0 HA MET A 99 8.440 4.911 6.876 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.508 6.318 8.930 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.319 5.012 9.770 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.174 5.093 8.175 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.352 6.330 7.245 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.215 8.425 8.619 1.00 1.18 H new ATOM 0 HE2 MET A 99 13.200 6.785 7.928 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.174 8.057 7.223 1.00 1.18 H new ATOM 1476 N ALA A 100 9.888 2.960 6.615 1.00 0.42 N ATOM 1477 CA ALA A 100 10.684 1.785 6.385 1.00 0.48 C ATOM 1478 C ALA A 100 12.110 2.192 6.085 1.00 0.48 C ATOM 1479 O ALA A 100 12.376 2.872 5.101 1.00 0.57 O ATOM 1480 CB ALA A 100 10.094 0.955 5.257 1.00 0.58 C ATOM 0 H ALA A 100 9.808 3.580 5.809 1.00 0.42 H new ATOM 0 HA ALA A 100 10.683 1.165 7.281 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.709 0.070 5.097 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.081 0.650 5.521 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.068 1.549 4.343 1.00 0.58 H new ATOM 1486 N ALA A 101 13.007 1.817 6.956 1.00 0.56 N ATOM 1487 CA ALA A 101 14.396 2.165 6.816 1.00 0.65 C ATOM 1488 C ALA A 101 15.180 0.989 6.276 1.00 0.66 C ATOM 1489 O ALA A 101 15.327 -0.038 6.959 1.00 0.77 O ATOM 1490 CB ALA A 101 14.959 2.610 8.152 1.00 0.84 C ATOM 0 H ALA A 101 12.796 1.261 7.784 1.00 0.56 H new ATOM 0 HA ALA A 101 14.482 2.990 6.109 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.011 2.871 8.035 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.407 3.480 8.508 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.865 1.800 8.875 1.00 0.84 H new ATOM 1496 N PHE A 102 15.653 1.123 5.060 1.00 0.75 N ATOM 1497 CA PHE A 102 16.437 0.110 4.419 1.00 0.87 C ATOM 1498 C PHE A 102 17.433 0.705 3.453 1.00 1.20 C ATOM 1499 O PHE A 102 17.079 1.455 2.543 1.00 2.05 O ATOM 1500 CB PHE A 102 15.575 -0.978 3.729 1.00 0.97 C ATOM 1501 CG PHE A 102 14.469 -0.509 2.815 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.211 -0.214 3.317 1.00 2.20 C ATOM 1503 CD2 PHE A 102 14.696 -0.331 1.463 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.210 0.243 2.489 1.00 3.25 C ATOM 1505 CE2 PHE A 102 13.694 0.122 0.632 1.00 3.51 C ATOM 1506 CZ PHE A 102 12.420 0.295 1.127 1.00 3.86 C ATOM 0 H PHE A 102 15.499 1.952 4.486 1.00 0.75 H new ATOM 0 HA PHE A 102 16.991 -0.389 5.215 1.00 0.87 H new ATOM 0 HB2 PHE A 102 16.241 -1.619 3.151 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.130 -1.599 4.506 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.013 -0.344 4.371 1.00 2.20 H new ATOM 0 HD2 PHE A 102 15.671 -0.550 1.053 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.265 0.559 2.904 1.00 3.25 H new ATOM 0 HE2 PHE A 102 13.907 0.341 -0.404 1.00 3.51 H new ATOM 0 HZ PHE A 102 11.593 0.470 0.454 1.00 3.86 H new