USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -3.27! C(o=-6.5!,f=-11!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -3.2! C(o=-6.5!,f=-12!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.394 USER MOD Set 2.2: A 37 MET CE :methyl 159:sc=-0.00716 (180deg=-0.316) USER MOD Set 2.3: A 65 MET CE :methyl 164:sc= -0.0159 (180deg=-0.272) USER MOD Set 3.1: A 5 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.0272) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.109 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.0588 F(o=-0.71,f=0.059) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 177:sc= -1.83 USER MOD Single : A 16 TYR OH : rot 165:sc= 0 USER MOD Single : A 17 CYS SG : rot -113:sc= -2.06 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.347 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.9!) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.13 F(o=-1.9,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 60 GLN : amide:sc= -2.69 K(o=-2.7,f=-8.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -2.8! USER MOD Single : A 81 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.19) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -136:sc= 0.0101 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.637 -1.132 11.942 1.00 0.00 N ATOM 2 CA MET A 1 2.489 -1.955 11.046 1.00 0.00 C ATOM 3 C MET A 1 2.411 -1.450 9.606 1.00 0.00 C ATOM 4 O MET A 1 1.671 -0.511 9.314 1.00 0.00 O ATOM 5 CB MET A 1 2.095 -3.426 11.176 1.00 0.00 C ATOM 6 CG MET A 1 3.202 -4.382 10.754 1.00 0.00 C ATOM 7 SD MET A 1 4.824 -3.959 11.424 1.00 0.00 S ATOM 8 CE MET A 1 4.823 -4.914 12.940 1.00 0.00 C ATOM 0 H1 MET A 1 2.195 -0.822 12.763 1.00 0.00 H new ATOM 0 H2 MET A 1 1.292 -0.299 11.424 1.00 0.00 H new ATOM 0 H3 MET A 1 0.827 -1.698 12.267 1.00 0.00 H new ATOM 0 HA MET A 1 3.533 -1.863 11.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.820 -3.632 12.211 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.210 -3.614 10.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.939 -5.391 11.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.261 -4.397 9.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.601 -4.540 13.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.852 -4.822 13.428 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.015 -5.962 12.710 1.00 0.00 H new ATOM 20 N PHE A 2 3.214 -2.040 8.722 1.00 0.00 N ATOM 21 CA PHE A 2 3.280 -1.612 7.324 1.00 0.00 C ATOM 22 C PHE A 2 1.912 -1.262 6.765 1.00 0.00 C ATOM 23 O PHE A 2 1.004 -2.085 6.731 1.00 0.00 O ATOM 24 CB PHE A 2 3.898 -2.702 6.463 1.00 0.00 C ATOM 25 CG PHE A 2 5.251 -3.151 6.926 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.381 -2.443 6.561 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.397 -4.283 7.711 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.633 -2.851 6.968 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.650 -4.700 8.119 1.00 0.00 C ATOM 30 CZ PHE A 2 7.769 -3.982 7.746 1.00 0.00 C ATOM 0 H PHE A 2 3.831 -2.820 8.950 1.00 0.00 H new ATOM 0 HA PHE A 2 3.900 -0.716 7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.228 -3.561 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.978 -2.340 5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.281 -1.559 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.524 -4.845 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.507 -2.286 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.754 -5.586 8.728 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.749 -4.306 8.063 1.00 0.00 H new ATOM 40 N LYS A 3 1.793 -0.024 6.322 1.00 0.00 N ATOM 41 CA LYS A 3 0.553 0.482 5.759 1.00 0.00 C ATOM 42 C LYS A 3 0.505 0.273 4.254 1.00 0.00 C ATOM 43 O LYS A 3 1.401 0.704 3.532 1.00 0.00 O ATOM 44 CB LYS A 3 0.409 1.971 6.074 1.00 0.00 C ATOM 45 CG LYS A 3 -0.163 2.250 7.453 1.00 0.00 C ATOM 46 CD LYS A 3 0.937 2.372 8.494 1.00 0.00 C ATOM 47 CE LYS A 3 0.369 2.424 9.902 1.00 0.00 C ATOM 48 NZ LYS A 3 0.146 3.823 10.359 1.00 0.00 N ATOM 0 H LYS A 3 2.551 0.658 6.342 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.272 -0.071 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.386 2.447 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.233 2.432 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.746 3.171 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.846 1.448 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.618 1.525 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.522 3.272 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.573 1.877 9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.052 1.923 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.242 3.815 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.049 4.338 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.525 4.294 9.720 1.00 0.00 H new ATOM 62 N VAL A 4 -0.547 -0.380 3.776 1.00 0.00 N ATOM 63 CA VAL A 4 -0.693 -0.612 2.348 1.00 0.00 C ATOM 64 C VAL A 4 -1.816 0.226 1.771 1.00 0.00 C ATOM 65 O VAL A 4 -2.995 -0.037 2.016 1.00 0.00 O ATOM 66 CB VAL A 4 -0.950 -2.099 2.004 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.499 -2.264 0.591 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.325 -2.892 2.131 1.00 0.00 C ATOM 0 H VAL A 4 -1.303 -0.754 4.350 1.00 0.00 H new ATOM 0 HA VAL A 4 0.257 -0.320 1.901 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.693 -2.471 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.666 -3.322 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.441 -1.724 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.782 -1.865 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.130 -3.936 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.072 -2.492 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.697 -2.822 3.153 1.00 0.00 H new ATOM 78 N TYR A 5 -1.446 1.210 0.972 1.00 0.00 N ATOM 79 CA TYR A 5 -2.426 2.054 0.328 1.00 0.00 C ATOM 80 C TYR A 5 -2.804 1.442 -1.009 1.00 0.00 C ATOM 81 O TYR A 5 -2.074 1.581 -1.989 1.00 0.00 O ATOM 82 CB TYR A 5 -1.873 3.465 0.109 1.00 0.00 C ATOM 83 CG TYR A 5 -1.683 4.262 1.378 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.567 4.142 2.441 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.622 5.147 1.505 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.399 4.880 3.594 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.446 5.887 2.657 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.337 5.750 3.698 1.00 0.00 C ATOM 89 OH TYR A 5 -1.166 6.488 4.847 1.00 0.00 O ATOM 0 H TYR A 5 -0.476 1.441 0.756 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.304 2.127 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.916 3.391 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.549 4.009 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.400 3.459 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.077 5.259 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.097 4.776 4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.386 6.570 2.741 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.521 5.989 5.612 1.00 0.00 H new ATOM 99 N GLY A 6 -3.931 0.745 -1.047 1.00 0.00 N ATOM 100 CA GLY A 6 -4.350 0.115 -2.277 1.00 0.00 C ATOM 101 C GLY A 6 -5.809 -0.283 -2.262 1.00 0.00 C ATOM 102 O GLY A 6 -6.660 0.448 -1.755 1.00 0.00 O ATOM 0 H GLY A 6 -4.557 0.607 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.172 0.797 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.738 -0.770 -2.454 1.00 0.00 H new ATOM 106 N TYR A 7 -6.096 -1.441 -2.837 1.00 0.00 N ATOM 107 CA TYR A 7 -7.449 -1.944 -2.916 1.00 0.00 C ATOM 108 C TYR A 7 -7.545 -3.361 -2.363 1.00 0.00 C ATOM 109 O TYR A 7 -6.590 -4.132 -2.440 1.00 0.00 O ATOM 110 CB TYR A 7 -7.894 -1.907 -4.369 1.00 0.00 C ATOM 111 CG TYR A 7 -7.606 -0.581 -5.028 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.213 0.580 -4.572 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.714 -0.484 -6.085 1.00 0.00 C ATOM 114 CE1 TYR A 7 -7.943 1.799 -5.153 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.435 0.734 -6.672 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.052 1.873 -6.202 1.00 0.00 C ATOM 117 OH TYR A 7 -6.773 3.090 -6.782 1.00 0.00 O ATOM 0 H TYR A 7 -5.397 -2.053 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.102 -1.316 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.389 -2.700 -4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.963 -2.111 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.909 0.527 -3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.230 -1.376 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.427 2.693 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.738 0.794 -7.494 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.124 2.966 -7.506 1.00 0.00 H new ATOM 127 N ASP A 8 -8.700 -3.695 -1.799 1.00 0.00 N ATOM 128 CA ASP A 8 -8.920 -5.022 -1.223 1.00 0.00 C ATOM 129 C ASP A 8 -9.751 -5.896 -2.158 1.00 0.00 C ATOM 130 O ASP A 8 -10.375 -6.864 -1.725 1.00 0.00 O ATOM 131 CB ASP A 8 -9.622 -4.896 0.129 1.00 0.00 C ATOM 132 CG ASP A 8 -10.965 -4.204 0.017 1.00 0.00 C ATOM 133 OD1 ASP A 8 -11.016 -3.096 -0.559 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.966 -4.768 0.504 1.00 0.00 O ATOM 0 H ASP A 8 -9.501 -3.067 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.948 -5.496 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.762 -5.889 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.985 -4.339 0.816 1.00 0.00 H new ATOM 139 N SER A 9 -9.753 -5.551 -3.445 1.00 0.00 N ATOM 140 CA SER A 9 -10.509 -6.306 -4.441 1.00 0.00 C ATOM 141 C SER A 9 -12.015 -6.140 -4.243 1.00 0.00 C ATOM 142 O SER A 9 -12.810 -6.836 -4.875 1.00 0.00 O ATOM 143 CB SER A 9 -10.138 -7.788 -4.387 1.00 0.00 C ATOM 144 OG SER A 9 -10.077 -8.345 -5.690 1.00 0.00 O ATOM 0 H SER A 9 -9.240 -4.754 -3.821 1.00 0.00 H new ATOM 0 HA SER A 9 -10.248 -5.908 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.175 -7.907 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.873 -8.329 -3.791 1.00 0.00 H new ATOM 0 HG SER A 9 -9.837 -9.293 -5.630 1.00 0.00 H new ATOM 150 N ASN A 10 -12.404 -5.215 -3.367 1.00 0.00 N ATOM 151 CA ASN A 10 -13.814 -4.966 -3.101 1.00 0.00 C ATOM 152 C ASN A 10 -14.386 -3.973 -4.109 1.00 0.00 C ATOM 153 O ASN A 10 -15.424 -4.224 -4.721 1.00 0.00 O ATOM 154 CB ASN A 10 -14.002 -4.437 -1.677 1.00 0.00 C ATOM 155 CG ASN A 10 -14.280 -5.545 -0.678 1.00 0.00 C ATOM 156 OD1 ASN A 10 -13.647 -6.600 -0.710 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.232 -5.308 0.217 1.00 0.00 N ATOM 0 H ASN A 10 -11.763 -4.629 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.352 -5.909 -3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.107 -3.894 -1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.827 -3.724 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.464 -6.015 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.732 -4.419 0.207 1.00 0.00 H new ATOM 164 N ILE A 11 -13.701 -2.844 -4.274 1.00 0.00 N ATOM 165 CA ILE A 11 -14.141 -1.811 -5.205 1.00 0.00 C ATOM 166 C ILE A 11 -13.321 -1.828 -6.494 1.00 0.00 C ATOM 167 O ILE A 11 -13.832 -1.502 -7.566 1.00 0.00 O ATOM 168 CB ILE A 11 -14.045 -0.407 -4.573 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.693 -0.397 -3.186 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.693 0.632 -5.477 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.139 -0.842 -3.191 1.00 0.00 C ATOM 0 H ILE A 11 -12.840 -2.622 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.182 -2.031 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.991 -0.152 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.123 -1.048 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.633 0.610 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.615 1.616 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.185 0.643 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.744 0.382 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.533 -0.810 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.722 -0.177 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.205 -1.860 -3.574 1.00 0.00 H new ATOM 183 N HIS A 12 -12.049 -2.202 -6.385 1.00 0.00 N ATOM 184 CA HIS A 12 -11.164 -2.250 -7.544 1.00 0.00 C ATOM 185 C HIS A 12 -10.243 -3.467 -7.488 1.00 0.00 C ATOM 186 O HIS A 12 -9.956 -3.990 -6.413 1.00 0.00 O ATOM 187 CB HIS A 12 -10.331 -0.970 -7.621 1.00 0.00 C ATOM 188 CG HIS A 12 -9.718 -0.723 -8.963 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.441 -0.401 -9.295 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.416 -0.773 -10.148 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.352 -0.253 -10.676 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.564 -0.486 -11.140 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.609 -2.476 -5.507 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.783 -2.334 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.963 -0.121 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.538 -1.019 -6.874 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.670 -0.286 -8.637 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.465 -1.003 -10.258 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.472 0.000 -11.249 1.00 0.00 H new ATOM 200 N LYS A 13 -9.784 -3.912 -8.655 1.00 0.00 N ATOM 201 CA LYS A 13 -8.894 -5.070 -8.740 1.00 0.00 C ATOM 202 C LYS A 13 -7.460 -4.690 -8.378 1.00 0.00 C ATOM 203 O LYS A 13 -7.120 -3.509 -8.303 1.00 0.00 O ATOM 204 CB LYS A 13 -8.934 -5.675 -10.148 1.00 0.00 C ATOM 205 CG LYS A 13 -8.833 -7.193 -10.160 1.00 0.00 C ATOM 206 CD LYS A 13 -7.425 -7.665 -10.503 1.00 0.00 C ATOM 207 CE LYS A 13 -7.398 -8.461 -11.798 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.089 -7.601 -12.974 1.00 0.00 N ATOM 0 H LYS A 13 -10.013 -3.490 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.244 -5.813 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.862 -5.377 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.116 -5.260 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.119 -7.584 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.539 -7.598 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.764 -6.803 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.039 -8.280 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.653 -9.253 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.363 -8.945 -11.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.080 -8.182 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.814 -6.861 -13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.157 -7.159 -12.845 1.00 0.00 H new ATOM 222 N CYS A 14 -6.624 -5.704 -8.155 1.00 0.00 N ATOM 223 CA CYS A 14 -5.221 -5.492 -7.802 1.00 0.00 C ATOM 224 C CYS A 14 -4.545 -6.817 -7.462 1.00 0.00 C ATOM 225 O CYS A 14 -4.623 -7.291 -6.329 1.00 0.00 O ATOM 226 CB CYS A 14 -5.096 -4.529 -6.616 1.00 0.00 C ATOM 227 SG CYS A 14 -6.076 -5.003 -5.172 1.00 0.00 S ATOM 0 H CYS A 14 -6.896 -6.685 -8.213 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.723 -5.051 -8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.048 -4.463 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.401 -3.533 -6.937 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.855 -4.165 -4.203 1.00 0.00 H new ATOM 233 N VAL A 15 -3.885 -7.415 -8.452 1.00 0.00 N ATOM 234 CA VAL A 15 -3.203 -8.692 -8.258 1.00 0.00 C ATOM 235 C VAL A 15 -1.976 -8.542 -7.363 1.00 0.00 C ATOM 236 O VAL A 15 -1.742 -9.360 -6.472 1.00 0.00 O ATOM 237 CB VAL A 15 -2.769 -9.308 -9.602 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.979 -9.576 -10.482 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.774 -8.402 -10.314 1.00 0.00 C ATOM 0 H VAL A 15 -3.808 -7.036 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.919 -9.355 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.276 -10.259 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.653 -10.011 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.650 -10.270 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.503 -8.640 -10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.481 -8.856 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.236 -7.433 -10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.892 -8.267 -9.688 1.00 0.00 H new ATOM 249 N TYR A 16 -1.188 -7.502 -7.612 1.00 0.00 N ATOM 250 CA TYR A 16 0.023 -7.253 -6.835 1.00 0.00 C ATOM 251 C TYR A 16 -0.292 -7.122 -5.347 1.00 0.00 C ATOM 252 O TYR A 16 0.542 -7.438 -4.498 1.00 0.00 O ATOM 253 CB TYR A 16 0.718 -5.986 -7.336 1.00 0.00 C ATOM 254 CG TYR A 16 2.092 -6.237 -7.914 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.334 -7.331 -8.736 1.00 0.00 C ATOM 256 CD2 TYR A 16 3.147 -5.377 -7.642 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.589 -7.560 -9.268 1.00 0.00 C ATOM 258 CE2 TYR A 16 4.403 -5.597 -8.171 1.00 0.00 C ATOM 259 CZ TYR A 16 4.620 -6.690 -8.984 1.00 0.00 C ATOM 260 OH TYR A 16 5.870 -6.913 -9.512 1.00 0.00 O ATOM 0 H TYR A 16 -1.365 -6.817 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 16 0.689 -8.105 -6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.094 -5.516 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.804 -5.278 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.528 -8.013 -8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.982 -4.520 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.761 -8.416 -9.903 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.212 -4.917 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 16 6.413 -6.103 -9.420 1.00 0.00 H new ATOM 270 N CYS A 17 -1.494 -6.652 -5.037 1.00 0.00 N ATOM 271 CA CYS A 17 -1.910 -6.481 -3.651 1.00 0.00 C ATOM 272 C CYS A 17 -1.992 -7.826 -2.937 1.00 0.00 C ATOM 273 O CYS A 17 -1.344 -8.037 -1.912 1.00 0.00 O ATOM 274 CB CYS A 17 -3.262 -5.771 -3.586 1.00 0.00 C ATOM 275 SG CYS A 17 -3.444 -4.661 -2.170 1.00 0.00 S ATOM 0 H CYS A 17 -2.197 -6.383 -5.726 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.162 -5.869 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.405 -5.199 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.053 -6.520 -3.551 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.355 -5.127 -1.368 1.00 0.00 H new ATOM 281 N ASP A 18 -2.791 -8.735 -3.486 1.00 0.00 N ATOM 282 CA ASP A 18 -2.959 -10.062 -2.903 1.00 0.00 C ATOM 283 C ASP A 18 -1.611 -10.741 -2.681 1.00 0.00 C ATOM 284 O ASP A 18 -1.432 -11.497 -1.725 1.00 0.00 O ATOM 285 CB ASP A 18 -3.835 -10.931 -3.809 1.00 0.00 C ATOM 286 CG ASP A 18 -4.587 -11.997 -3.038 1.00 0.00 C ATOM 287 OD1 ASP A 18 -3.944 -12.964 -2.580 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.821 -11.864 -2.891 1.00 0.00 O ATOM 0 H ASP A 18 -3.333 -8.577 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.447 -9.944 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.548 -10.297 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.211 -11.406 -4.566 1.00 0.00 H new ATOM 293 N ASN A 19 -0.665 -10.467 -3.574 1.00 0.00 N ATOM 294 CA ASN A 19 0.667 -11.051 -3.479 1.00 0.00 C ATOM 295 C ASN A 19 1.433 -10.470 -2.293 1.00 0.00 C ATOM 296 O ASN A 19 1.992 -11.208 -1.483 1.00 0.00 O ATOM 297 CB ASN A 19 1.445 -10.811 -4.774 1.00 0.00 C ATOM 298 CG ASN A 19 0.834 -11.534 -5.958 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.100 -12.509 -5.794 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.134 -11.059 -7.161 1.00 0.00 N ATOM 0 H ASN A 19 -0.797 -9.844 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 19 0.557 -12.124 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.477 -9.742 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.475 -11.142 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.752 -11.505 -7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.747 -10.248 -7.251 1.00 0.00 H new ATOM 307 N ALA A 20 1.452 -9.144 -2.197 1.00 0.00 N ATOM 308 CA ALA A 20 2.148 -8.469 -1.108 1.00 0.00 C ATOM 309 C ALA A 20 1.560 -8.862 0.243 1.00 0.00 C ATOM 310 O ALA A 20 2.273 -8.932 1.244 1.00 0.00 O ATOM 311 CB ALA A 20 2.084 -6.961 -1.296 1.00 0.00 C ATOM 0 H ALA A 20 0.994 -8.517 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 20 3.192 -8.781 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.608 -6.470 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.556 -6.692 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.043 -6.639 -1.306 1.00 0.00 H new ATOM 317 N LYS A 21 0.256 -9.122 0.263 1.00 0.00 N ATOM 318 CA LYS A 21 -0.426 -9.510 1.491 1.00 0.00 C ATOM 319 C LYS A 21 0.160 -10.802 2.048 1.00 0.00 C ATOM 320 O LYS A 21 0.572 -10.859 3.207 1.00 0.00 O ATOM 321 CB LYS A 21 -1.923 -9.685 1.233 1.00 0.00 C ATOM 322 CG LYS A 21 -2.792 -9.369 2.440 1.00 0.00 C ATOM 323 CD LYS A 21 -4.251 -9.707 2.179 1.00 0.00 C ATOM 324 CE LYS A 21 -5.182 -8.713 2.853 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.481 -9.096 4.260 1.00 0.00 N ATOM 0 H LYS A 21 -0.348 -9.071 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.282 -8.718 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.218 -9.040 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.111 -10.712 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.436 -9.931 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.701 -8.312 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.438 -9.712 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.464 -10.712 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.729 -7.722 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.113 -8.648 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.119 -8.392 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.937 -10.031 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.596 -9.133 4.805 1.00 0.00 H new ATOM 339 N ARG A 22 0.201 -11.836 1.214 1.00 0.00 N ATOM 340 CA ARG A 22 0.744 -13.124 1.629 1.00 0.00 C ATOM 341 C ARG A 22 2.240 -13.008 1.919 1.00 0.00 C ATOM 342 O ARG A 22 2.791 -13.781 2.702 1.00 0.00 O ATOM 343 CB ARG A 22 0.492 -14.186 0.553 1.00 0.00 C ATOM 344 CG ARG A 22 1.320 -13.993 -0.710 1.00 0.00 C ATOM 345 CD ARG A 22 2.057 -15.265 -1.100 1.00 0.00 C ATOM 346 NE ARG A 22 1.529 -15.847 -2.332 1.00 0.00 N ATOM 347 CZ ARG A 22 1.768 -15.356 -3.545 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.525 -14.276 -3.694 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.252 -15.948 -4.614 1.00 0.00 N ATOM 0 H ARG A 22 -0.134 -11.808 0.251 1.00 0.00 H new ATOM 0 HA ARG A 22 0.236 -13.430 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.707 -15.170 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.565 -14.177 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.669 -13.684 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.039 -13.189 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.117 -15.045 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.977 -15.992 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 22 0.943 -16.678 -2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.927 -13.818 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.705 -13.904 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.672 -16.780 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.435 -15.571 -5.544 1.00 0.00 H new ATOM 363 N LEU A 23 2.884 -12.031 1.289 1.00 0.00 N ATOM 364 CA LEU A 23 4.311 -11.800 1.482 1.00 0.00 C ATOM 365 C LEU A 23 4.612 -11.549 2.954 1.00 0.00 C ATOM 366 O LEU A 23 5.439 -12.233 3.556 1.00 0.00 O ATOM 367 CB LEU A 23 4.761 -10.599 0.644 1.00 0.00 C ATOM 368 CG LEU A 23 6.262 -10.515 0.354 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.591 -9.205 -0.344 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.067 -10.646 1.637 1.00 0.00 C ATOM 0 H LEU A 23 2.438 -11.384 0.638 1.00 0.00 H new ATOM 0 HA LEU A 23 4.857 -12.686 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.227 -10.622 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.458 -9.687 1.158 1.00 0.00 H new ATOM 0 HG LEU A 23 6.531 -11.341 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.661 -9.158 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.043 -9.146 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.305 -8.370 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.131 -10.584 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.796 -9.842 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.853 -11.607 2.104 1.00 0.00 H new ATOM 382 N LEU A 24 3.928 -10.565 3.525 1.00 0.00 N ATOM 383 CA LEU A 24 4.115 -10.220 4.928 1.00 0.00 C ATOM 384 C LEU A 24 3.709 -11.385 5.825 1.00 0.00 C ATOM 385 O LEU A 24 4.320 -11.620 6.868 1.00 0.00 O ATOM 386 CB LEU A 24 3.300 -8.974 5.278 1.00 0.00 C ATOM 387 CG LEU A 24 3.454 -7.808 4.299 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.686 -6.594 4.788 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.922 -7.462 4.105 1.00 0.00 C ATOM 0 H LEU A 24 3.239 -9.992 3.038 1.00 0.00 H new ATOM 0 HA LEU A 24 5.171 -10.008 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.247 -9.249 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.590 -8.635 6.273 1.00 0.00 H new ATOM 0 HG LEU A 24 3.041 -8.114 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.808 -5.776 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.629 -6.843 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.069 -6.289 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.011 -6.631 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.359 -7.179 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.451 -8.328 3.708 1.00 0.00 H new ATOM 401 N THR A 25 2.681 -12.116 5.407 1.00 0.00 N ATOM 402 CA THR A 25 2.203 -13.262 6.168 1.00 0.00 C ATOM 403 C THR A 25 3.233 -14.384 6.131 1.00 0.00 C ATOM 404 O THR A 25 3.502 -15.033 7.142 1.00 0.00 O ATOM 405 CB THR A 25 0.868 -13.756 5.605 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.075 -12.701 5.555 1.00 0.00 O ATOM 407 CG2 THR A 25 0.258 -14.881 6.414 1.00 0.00 C ATOM 0 H THR A 25 2.164 -11.935 4.546 1.00 0.00 H new ATOM 0 HA THR A 25 2.053 -12.954 7.203 1.00 0.00 H new ATOM 0 HB THR A 25 1.095 -14.130 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.135 -12.110 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.686 -15.184 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.942 -15.730 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.078 -14.540 7.434 1.00 0.00 H new ATOM 415 N VAL A 26 3.818 -14.596 4.955 1.00 0.00 N ATOM 416 CA VAL A 26 4.831 -15.626 4.774 1.00 0.00 C ATOM 417 C VAL A 26 6.092 -15.280 5.560 1.00 0.00 C ATOM 418 O VAL A 26 6.800 -16.164 6.041 1.00 0.00 O ATOM 419 CB VAL A 26 5.186 -15.800 3.283 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.324 -16.793 3.102 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.962 -16.238 2.493 1.00 0.00 C ATOM 0 H VAL A 26 3.605 -14.064 4.111 1.00 0.00 H new ATOM 0 HA VAL A 26 4.419 -16.564 5.147 1.00 0.00 H new ATOM 0 HB VAL A 26 5.520 -14.835 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.552 -16.895 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.207 -16.434 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.029 -17.762 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.230 -16.356 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.598 -17.188 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.180 -15.484 2.585 1.00 0.00 H new ATOM 431 N LYS A 27 6.361 -13.984 5.688 1.00 0.00 N ATOM 432 CA LYS A 27 7.532 -13.513 6.419 1.00 0.00 C ATOM 433 C LYS A 27 7.244 -13.421 7.918 1.00 0.00 C ATOM 434 O LYS A 27 8.156 -13.227 8.720 1.00 0.00 O ATOM 435 CB LYS A 27 7.974 -12.149 5.886 1.00 0.00 C ATOM 436 CG LYS A 27 9.013 -12.234 4.779 1.00 0.00 C ATOM 437 CD LYS A 27 10.394 -11.839 5.277 1.00 0.00 C ATOM 438 CE LYS A 27 11.479 -12.702 4.654 1.00 0.00 C ATOM 439 NZ LYS A 27 11.801 -13.884 5.500 1.00 0.00 N ATOM 0 H LYS A 27 5.783 -13.241 5.295 1.00 0.00 H new ATOM 0 HA LYS A 27 8.336 -14.233 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.101 -11.614 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.380 -11.561 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.044 -13.250 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.722 -11.582 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.581 -10.791 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.431 -11.933 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.155 -13.038 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.379 -12.105 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.545 -14.447 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.134 -13.564 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.949 -14.468 5.619 1.00 0.00 H new ATOM 453 N LYS A 28 5.970 -13.559 8.288 1.00 0.00 N ATOM 454 CA LYS A 28 5.558 -13.491 9.688 1.00 0.00 C ATOM 455 C LYS A 28 5.724 -12.076 10.239 1.00 0.00 C ATOM 456 O LYS A 28 6.361 -11.869 11.273 1.00 0.00 O ATOM 457 CB LYS A 28 6.355 -14.489 10.536 1.00 0.00 C ATOM 458 CG LYS A 28 5.631 -15.806 10.763 1.00 0.00 C ATOM 459 CD LYS A 28 6.609 -16.948 10.993 1.00 0.00 C ATOM 460 CE LYS A 28 6.782 -17.793 9.741 1.00 0.00 C ATOM 461 NZ LYS A 28 8.141 -18.399 9.664 1.00 0.00 N ATOM 0 H LYS A 28 5.204 -13.719 7.634 1.00 0.00 H new ATOM 0 HA LYS A 28 4.502 -13.756 9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.309 -14.688 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.579 -14.036 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.968 -15.714 11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.004 -16.031 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.575 -16.546 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.252 -17.575 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.031 -18.583 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.609 -17.176 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.219 -18.967 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.857 -17.645 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.297 -19.008 10.492 1.00 0.00 H new ATOM 475 N GLN A 29 5.140 -11.105 9.546 1.00 0.00 N ATOM 476 CA GLN A 29 5.220 -9.714 9.969 1.00 0.00 C ATOM 477 C GLN A 29 3.886 -8.999 9.752 1.00 0.00 C ATOM 478 O GLN A 29 3.461 -8.804 8.614 1.00 0.00 O ATOM 479 CB GLN A 29 6.328 -8.985 9.206 1.00 0.00 C ATOM 480 CG GLN A 29 7.632 -8.880 9.982 1.00 0.00 C ATOM 481 CD GLN A 29 8.728 -9.755 9.406 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.457 -10.772 8.770 1.00 0.00 O ATOM 483 NE2 GLN A 29 9.977 -9.363 9.630 1.00 0.00 N ATOM 0 H GLN A 29 4.607 -11.256 8.690 1.00 0.00 H new ATOM 0 HA GLN A 29 5.452 -9.701 11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.514 -9.506 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.984 -7.982 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.965 -7.842 9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.456 -9.162 11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.157 -8.512 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.757 -9.913 9.269 1.00 0.00 H new ATOM 492 N PRO A 30 3.206 -8.599 10.843 1.00 0.00 N ATOM 493 CA PRO A 30 1.922 -7.898 10.761 1.00 0.00 C ATOM 494 C PRO A 30 1.926 -6.783 9.730 1.00 0.00 C ATOM 495 O PRO A 30 2.964 -6.461 9.152 1.00 0.00 O ATOM 496 CB PRO A 30 1.773 -7.299 12.158 1.00 0.00 C ATOM 497 CG PRO A 30 2.467 -8.264 13.044 1.00 0.00 C ATOM 498 CD PRO A 30 3.633 -8.789 12.246 1.00 0.00 C ATOM 0 HA PRO A 30 1.116 -8.567 10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.225 -6.309 12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.724 -7.188 12.434 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.806 -7.780 13.960 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.799 -9.073 13.340 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.549 -8.239 12.465 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.830 -9.838 12.467 1.00 0.00 H new ATOM 506 N PHE A 31 0.765 -6.178 9.529 1.00 0.00 N ATOM 507 CA PHE A 31 0.635 -5.066 8.601 1.00 0.00 C ATOM 508 C PHE A 31 -0.666 -4.311 8.840 1.00 0.00 C ATOM 509 O PHE A 31 -1.540 -4.774 9.572 1.00 0.00 O ATOM 510 CB PHE A 31 0.707 -5.549 7.157 1.00 0.00 C ATOM 511 CG PHE A 31 -0.122 -6.762 6.909 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.322 -8.003 7.317 1.00 0.00 C ATOM 513 CD2 PHE A 31 -1.345 -6.658 6.280 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.440 -9.127 7.101 1.00 0.00 C ATOM 515 CE2 PHE A 31 -2.116 -7.779 6.056 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.664 -9.020 6.467 1.00 0.00 C ATOM 0 H PHE A 31 -0.102 -6.440 9.998 1.00 0.00 H new ATOM 0 HA PHE A 31 1.468 -4.386 8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.378 -4.748 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.745 -5.766 6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.278 -8.093 7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.702 -5.690 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.083 -10.093 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.071 -7.688 5.560 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.264 -9.901 6.294 1.00 0.00 H new ATOM 526 N GLU A 32 -0.796 -3.160 8.197 1.00 0.00 N ATOM 527 CA GLU A 32 -2.000 -2.345 8.315 1.00 0.00 C ATOM 528 C GLU A 32 -2.523 -1.977 6.930 1.00 0.00 C ATOM 529 O GLU A 32 -1.909 -1.189 6.215 1.00 0.00 O ATOM 530 CB GLU A 32 -1.716 -1.076 9.121 1.00 0.00 C ATOM 531 CG GLU A 32 -2.867 -0.658 10.021 1.00 0.00 C ATOM 532 CD GLU A 32 -3.793 0.340 9.354 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.292 1.356 8.830 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.021 0.105 9.358 1.00 0.00 O ATOM 0 H GLU A 32 -0.081 -2.767 7.586 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.759 -2.926 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.827 -1.234 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.489 -0.262 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.437 -1.541 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.468 -0.222 10.937 1.00 0.00 H new ATOM 541 N PHE A 33 -3.651 -2.561 6.549 1.00 0.00 N ATOM 542 CA PHE A 33 -4.237 -2.302 5.247 1.00 0.00 C ATOM 543 C PHE A 33 -5.215 -1.134 5.298 1.00 0.00 C ATOM 544 O PHE A 33 -5.837 -0.871 6.328 1.00 0.00 O ATOM 545 CB PHE A 33 -4.941 -3.562 4.740 1.00 0.00 C ATOM 546 CG PHE A 33 -5.073 -3.640 3.245 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.313 -2.831 2.419 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.965 -4.528 2.670 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.441 -2.903 1.047 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.097 -4.605 1.298 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.332 -3.789 0.487 1.00 0.00 C ATOM 0 H PHE A 33 -4.177 -3.218 7.126 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.436 -2.031 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.392 -4.436 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.935 -3.611 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.611 -2.135 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.564 -5.168 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.843 -2.265 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.797 -5.301 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.433 -3.847 -0.587 1.00 0.00 H new ATOM 561 N ILE A 34 -5.344 -0.437 4.173 1.00 0.00 N ATOM 562 CA ILE A 34 -6.237 0.702 4.064 1.00 0.00 C ATOM 563 C ILE A 34 -6.755 0.832 2.640 1.00 0.00 C ATOM 564 O ILE A 34 -5.980 0.870 1.681 1.00 0.00 O ATOM 565 CB ILE A 34 -5.536 2.019 4.450 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.808 1.879 5.787 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.542 3.158 4.506 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.835 3.005 6.059 1.00 0.00 C ATOM 0 H ILE A 34 -4.832 -0.648 3.316 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.062 0.526 4.755 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.794 2.247 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.543 1.841 6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.270 0.931 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.031 4.081 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.010 3.278 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.307 2.932 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.353 2.844 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.079 3.030 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.372 3.954 6.075 1.00 0.00 H new ATOM 580 N ASN A 35 -8.066 0.900 2.514 1.00 0.00 N ATOM 581 CA ASN A 35 -8.706 1.033 1.212 1.00 0.00 C ATOM 582 C ASN A 35 -8.714 2.490 0.771 1.00 0.00 C ATOM 583 O ASN A 35 -9.416 3.320 1.348 1.00 0.00 O ATOM 584 CB ASN A 35 -10.135 0.487 1.258 1.00 0.00 C ATOM 585 CG ASN A 35 -10.926 1.031 2.431 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.571 2.173 2.229 1.00 0.00 O flip ATOM 587 ND2 ASN A 35 -10.956 0.432 3.505 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.715 0.865 3.300 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.135 0.452 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.647 0.740 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.103 -0.601 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.444 -0.444 3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.492 0.811 4.285 1.00 0.00 H new ATOM 594 N ILE A 36 -7.921 2.794 -0.249 1.00 0.00 N ATOM 595 CA ILE A 36 -7.832 4.153 -0.764 1.00 0.00 C ATOM 596 C ILE A 36 -9.081 4.531 -1.551 1.00 0.00 C ATOM 597 O ILE A 36 -9.363 5.714 -1.751 1.00 0.00 O ATOM 598 CB ILE A 36 -6.594 4.338 -1.661 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.530 3.240 -2.723 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.328 4.339 -0.818 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.962 3.710 -4.044 1.00 0.00 C ATOM 0 H ILE A 36 -7.331 2.118 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.743 4.809 0.102 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.675 5.299 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.922 2.417 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.533 2.846 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.460 4.471 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.371 5.156 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.244 3.391 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.946 2.879 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.583 4.513 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.947 4.077 -3.894 1.00 0.00 H new ATOM 613 N MET A 37 -9.826 3.527 -1.998 1.00 0.00 N ATOM 614 CA MET A 37 -11.039 3.773 -2.763 1.00 0.00 C ATOM 615 C MET A 37 -12.224 2.993 -2.193 1.00 0.00 C ATOM 616 O MET A 37 -12.526 1.888 -2.644 1.00 0.00 O ATOM 617 CB MET A 37 -10.825 3.412 -4.236 1.00 0.00 C ATOM 618 CG MET A 37 -12.100 3.450 -5.065 1.00 0.00 C ATOM 619 SD MET A 37 -11.925 4.417 -6.578 1.00 0.00 S ATOM 620 CE MET A 37 -10.571 3.555 -7.373 1.00 0.00 C ATOM 0 H MET A 37 -9.612 2.542 -1.845 1.00 0.00 H new ATOM 0 HA MET A 37 -11.269 4.836 -2.690 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.100 4.101 -4.669 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.392 2.414 -4.297 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.391 2.431 -5.322 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.906 3.869 -4.463 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.580 3.770 -8.442 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.626 3.888 -6.944 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.682 2.482 -7.218 1.00 0.00 H new ATOM 630 N PRO A 38 -12.916 3.568 -1.194 1.00 0.00 N ATOM 631 CA PRO A 38 -14.078 2.932 -0.569 1.00 0.00 C ATOM 632 C PRO A 38 -15.332 3.030 -1.436 1.00 0.00 C ATOM 633 O PRO A 38 -16.386 2.499 -1.083 1.00 0.00 O ATOM 634 CB PRO A 38 -14.258 3.734 0.720 1.00 0.00 C ATOM 635 CG PRO A 38 -13.743 5.092 0.387 1.00 0.00 C ATOM 636 CD PRO A 38 -12.624 4.888 -0.601 1.00 0.00 C ATOM 0 HA PRO A 38 -13.926 1.864 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.304 3.769 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.702 3.290 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.531 5.713 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.384 5.602 1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.610 5.672 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.650 4.900 -0.111 1.00 0.00 H new ATOM 644 N GLU A 39 -15.213 3.714 -2.572 1.00 0.00 N ATOM 645 CA GLU A 39 -16.333 3.884 -3.488 1.00 0.00 C ATOM 646 C GLU A 39 -15.863 3.756 -4.933 1.00 0.00 C ATOM 647 O GLU A 39 -14.828 4.303 -5.307 1.00 0.00 O ATOM 648 CB GLU A 39 -16.989 5.250 -3.271 1.00 0.00 C ATOM 649 CG GLU A 39 -18.454 5.295 -3.677 1.00 0.00 C ATOM 650 CD GLU A 39 -18.875 6.663 -4.179 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.416 7.062 -5.270 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.662 7.336 -3.481 1.00 0.00 O ATOM 0 H GLU A 39 -14.348 4.160 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.066 3.102 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.904 5.521 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.440 6.001 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.635 4.554 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.073 5.018 -2.824 1.00 0.00 H new ATOM 659 N LYS A 40 -16.629 3.034 -5.745 1.00 0.00 N ATOM 660 CA LYS A 40 -16.275 2.842 -7.149 1.00 0.00 C ATOM 661 C LYS A 40 -16.301 4.149 -7.926 1.00 0.00 C ATOM 662 O LYS A 40 -15.885 4.212 -9.082 1.00 0.00 O ATOM 663 CB LYS A 40 -17.190 1.808 -7.808 1.00 0.00 C ATOM 664 CG LYS A 40 -18.651 2.224 -7.854 1.00 0.00 C ATOM 665 CD LYS A 40 -18.999 2.897 -9.174 1.00 0.00 C ATOM 666 CE LYS A 40 -19.841 1.990 -10.057 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.017 1.287 -11.079 1.00 0.00 N ATOM 0 H LYS A 40 -17.493 2.575 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.252 2.466 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.842 1.624 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.107 0.865 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.284 1.348 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.862 2.906 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.541 3.823 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.083 3.168 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.355 1.255 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.610 2.581 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.629 0.679 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.547 1.987 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.299 0.703 -10.604 1.00 0.00 H new ATOM 681 N GLY A 41 -16.782 5.181 -7.273 1.00 0.00 N ATOM 682 CA GLY A 41 -16.860 6.493 -7.887 1.00 0.00 C ATOM 683 C GLY A 41 -15.566 7.273 -7.751 1.00 0.00 C ATOM 684 O GLY A 41 -14.916 7.592 -8.747 1.00 0.00 O ATOM 0 H GLY A 41 -17.127 5.141 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.105 6.383 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.672 7.058 -7.429 1.00 0.00 H new ATOM 688 N VAL A 42 -15.190 7.579 -6.513 1.00 0.00 N ATOM 689 CA VAL A 42 -13.968 8.327 -6.252 1.00 0.00 C ATOM 690 C VAL A 42 -13.275 7.829 -4.988 1.00 0.00 C ATOM 691 O VAL A 42 -13.931 7.516 -3.994 1.00 0.00 O ATOM 692 CB VAL A 42 -14.258 9.833 -6.108 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.962 10.626 -6.036 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.127 10.322 -7.257 1.00 0.00 C ATOM 0 H VAL A 42 -15.714 7.320 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.309 8.169 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.803 9.990 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.190 11.687 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.381 10.296 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.385 10.464 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.321 11.388 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.611 10.150 -8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.072 9.779 -7.255 1.00 0.00 H new ATOM 704 N PHE A 43 -11.947 7.759 -5.029 1.00 0.00 N ATOM 705 CA PHE A 43 -11.177 7.295 -3.874 1.00 0.00 C ATOM 706 C PHE A 43 -11.297 8.270 -2.707 1.00 0.00 C ATOM 707 O PHE A 43 -11.835 9.368 -2.852 1.00 0.00 O ATOM 708 CB PHE A 43 -9.696 7.076 -4.218 1.00 0.00 C ATOM 709 CG PHE A 43 -9.222 7.811 -5.436 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.088 9.188 -5.421 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.908 7.121 -6.591 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.648 9.865 -6.541 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.468 7.791 -7.717 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.338 9.166 -7.692 1.00 0.00 C ATOM 0 H PHE A 43 -11.384 8.015 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.601 6.335 -3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.090 7.383 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.524 6.010 -4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.330 9.739 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.007 6.046 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.546 10.940 -6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.226 7.241 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.995 9.693 -8.570 1.00 0.00 H new ATOM 724 N ASP A 44 -10.791 7.856 -1.548 1.00 0.00 N ATOM 725 CA ASP A 44 -10.842 8.686 -0.348 1.00 0.00 C ATOM 726 C ASP A 44 -9.691 9.688 -0.328 1.00 0.00 C ATOM 727 O ASP A 44 -8.587 9.369 0.108 1.00 0.00 O ATOM 728 CB ASP A 44 -10.795 7.809 0.906 1.00 0.00 C ATOM 729 CG ASP A 44 -11.657 8.357 2.027 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.253 9.361 2.651 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.737 7.782 2.280 1.00 0.00 O ATOM 0 H ASP A 44 -10.341 6.950 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.780 9.241 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.128 6.802 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.764 7.727 1.251 1.00 0.00 H new ATOM 736 N ASP A 45 -9.959 10.901 -0.799 1.00 0.00 N ATOM 737 CA ASP A 45 -8.945 11.950 -0.838 1.00 0.00 C ATOM 738 C ASP A 45 -8.370 12.224 0.553 1.00 0.00 C ATOM 739 O ASP A 45 -7.276 12.771 0.680 1.00 0.00 O ATOM 740 CB ASP A 45 -9.535 13.236 -1.420 1.00 0.00 C ATOM 741 CG ASP A 45 -10.830 13.638 -0.744 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.783 14.051 0.434 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.894 13.540 -1.391 1.00 0.00 O ATOM 0 H ASP A 45 -10.871 11.183 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.133 11.603 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.810 14.043 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.713 13.100 -2.487 1.00 0.00 H new ATOM 748 N GLU A 46 -9.108 11.839 1.592 1.00 0.00 N ATOM 749 CA GLU A 46 -8.653 12.047 2.962 1.00 0.00 C ATOM 750 C GLU A 46 -7.373 11.263 3.225 1.00 0.00 C ATOM 751 O GLU A 46 -6.329 11.838 3.537 1.00 0.00 O ATOM 752 CB GLU A 46 -9.740 11.627 3.955 1.00 0.00 C ATOM 753 CG GLU A 46 -11.091 12.267 3.684 1.00 0.00 C ATOM 754 CD GLU A 46 -12.066 12.081 4.832 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.290 10.922 5.237 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.604 13.095 5.324 1.00 0.00 O ATOM 0 H GLU A 46 -10.018 11.384 1.511 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.446 13.109 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.848 10.543 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.419 11.888 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.953 13.332 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.517 11.838 2.777 1.00 0.00 H new ATOM 763 N LYS A 47 -7.460 9.945 3.087 1.00 0.00 N ATOM 764 CA LYS A 47 -6.305 9.082 3.298 1.00 0.00 C ATOM 765 C LYS A 47 -5.258 9.327 2.219 1.00 0.00 C ATOM 766 O LYS A 47 -4.059 9.361 2.495 1.00 0.00 O ATOM 767 CB LYS A 47 -6.725 7.611 3.298 1.00 0.00 C ATOM 768 CG LYS A 47 -7.820 7.289 4.302 1.00 0.00 C ATOM 769 CD LYS A 47 -8.608 6.056 3.890 1.00 0.00 C ATOM 770 CE LYS A 47 -10.012 6.071 4.473 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.018 5.720 5.920 1.00 0.00 N ATOM 0 H LYS A 47 -8.316 9.452 2.831 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.872 9.319 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.068 7.340 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.853 6.993 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.378 7.128 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.495 8.140 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.665 6.006 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.084 5.160 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.450 7.060 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.639 5.367 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.994 5.742 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.624 4.766 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.441 6.407 6.446 1.00 0.00 H new ATOM 785 N ILE A 48 -5.726 9.505 0.989 1.00 0.00 N ATOM 786 CA ILE A 48 -4.842 9.759 -0.140 1.00 0.00 C ATOM 787 C ILE A 48 -4.030 11.030 0.084 1.00 0.00 C ATOM 788 O ILE A 48 -2.858 11.104 -0.285 1.00 0.00 O ATOM 789 CB ILE A 48 -5.644 9.905 -1.450 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.395 8.611 -1.768 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.730 10.296 -2.604 1.00 0.00 C ATOM 792 CD1 ILE A 48 -5.490 7.451 -2.111 1.00 0.00 C ATOM 0 H ILE A 48 -6.717 9.478 0.749 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.169 8.906 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.376 10.701 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.010 8.339 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.073 8.791 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.318 10.393 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.248 11.248 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.969 9.528 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.094 6.569 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.893 7.702 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.830 7.243 -1.269 1.00 0.00 H new ATOM 804 N ALA A 49 -4.665 12.031 0.683 1.00 0.00 N ATOM 805 CA ALA A 49 -4.003 13.299 0.948 1.00 0.00 C ATOM 806 C ALA A 49 -2.798 13.098 1.858 1.00 0.00 C ATOM 807 O ALA A 49 -1.689 13.531 1.543 1.00 0.00 O ATOM 808 CB ALA A 49 -4.980 14.289 1.565 1.00 0.00 C ATOM 0 H ALA A 49 -5.636 11.988 0.993 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.650 13.706 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.469 15.233 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.809 14.459 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.363 13.886 2.503 1.00 0.00 H new ATOM 814 N GLU A 50 -3.019 12.426 2.984 1.00 0.00 N ATOM 815 CA GLU A 50 -1.943 12.155 3.931 1.00 0.00 C ATOM 816 C GLU A 50 -0.800 11.420 3.236 1.00 0.00 C ATOM 817 O GLU A 50 0.368 11.599 3.579 1.00 0.00 O ATOM 818 CB GLU A 50 -2.468 11.324 5.108 1.00 0.00 C ATOM 819 CG GLU A 50 -1.373 10.693 5.959 1.00 0.00 C ATOM 820 CD GLU A 50 -1.563 10.950 7.441 1.00 0.00 C ATOM 821 OE1 GLU A 50 -2.698 11.278 7.846 1.00 0.00 O ATOM 822 OE2 GLU A 50 -0.577 10.821 8.197 1.00 0.00 O ATOM 0 H GLU A 50 -3.930 12.060 3.262 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.568 13.104 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.085 11.961 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.114 10.535 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.354 9.618 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.405 11.085 5.648 1.00 0.00 H new ATOM 829 N LEU A 51 -1.151 10.599 2.253 1.00 0.00 N ATOM 830 CA LEU A 51 -0.169 9.834 1.503 1.00 0.00 C ATOM 831 C LEU A 51 0.810 10.765 0.795 1.00 0.00 C ATOM 832 O LEU A 51 2.024 10.641 0.954 1.00 0.00 O ATOM 833 CB LEU A 51 -0.879 8.942 0.485 1.00 0.00 C ATOM 834 CG LEU A 51 -0.066 7.758 -0.019 1.00 0.00 C ATOM 835 CD1 LEU A 51 -0.925 6.850 -0.886 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.148 8.231 -0.791 1.00 0.00 C ATOM 0 H LEU A 51 -2.115 10.447 1.957 1.00 0.00 H new ATOM 0 HA LEU A 51 0.394 9.209 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.798 8.566 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.169 9.553 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 51 0.277 7.189 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.326 6.009 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.766 6.478 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.299 7.412 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.715 7.369 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.826 8.826 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.778 8.839 -0.142 1.00 0.00 H new ATOM 848 N LEU A 52 0.274 11.706 0.023 1.00 0.00 N ATOM 849 CA LEU A 52 1.094 12.663 -0.704 1.00 0.00 C ATOM 850 C LEU A 52 2.109 13.338 0.206 1.00 0.00 C ATOM 851 O LEU A 52 3.270 13.518 -0.162 1.00 0.00 O ATOM 852 CB LEU A 52 0.200 13.686 -1.343 1.00 0.00 C ATOM 853 CG LEU A 52 -0.621 13.113 -2.478 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.532 14.167 -3.009 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.285 12.575 -3.574 1.00 0.00 C ATOM 0 H LEU A 52 -0.730 11.824 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 52 1.655 12.130 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.469 14.101 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.807 14.510 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.220 12.282 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.125 13.757 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.196 14.508 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.942 15.008 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.323 12.167 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.907 13.382 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.922 11.789 -3.167 1.00 0.00 H new ATOM 867 N THR A 53 1.660 13.703 1.400 1.00 0.00 N ATOM 868 CA THR A 53 2.525 14.355 2.376 1.00 0.00 C ATOM 869 C THR A 53 3.713 13.464 2.724 1.00 0.00 C ATOM 870 O THR A 53 4.855 13.923 2.767 1.00 0.00 O ATOM 871 CB THR A 53 1.738 14.694 3.643 1.00 0.00 C ATOM 872 OG1 THR A 53 0.592 15.466 3.330 1.00 0.00 O ATOM 873 CG2 THR A 53 2.548 15.466 4.662 1.00 0.00 C ATOM 0 H THR A 53 0.701 13.559 1.717 1.00 0.00 H new ATOM 0 HA THR A 53 2.900 15.278 1.935 1.00 0.00 H new ATOM 0 HB THR A 53 1.460 13.733 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.101 15.671 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.930 15.674 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.414 14.875 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.884 16.406 4.223 1.00 0.00 H new ATOM 881 N LYS A 54 3.436 12.186 2.966 1.00 0.00 N ATOM 882 CA LYS A 54 4.480 11.229 3.307 1.00 0.00 C ATOM 883 C LYS A 54 5.486 11.092 2.167 1.00 0.00 C ATOM 884 O LYS A 54 6.673 10.861 2.398 1.00 0.00 O ATOM 885 CB LYS A 54 3.865 9.864 3.632 1.00 0.00 C ATOM 886 CG LYS A 54 2.869 9.905 4.779 1.00 0.00 C ATOM 887 CD LYS A 54 3.017 8.697 5.691 1.00 0.00 C ATOM 888 CE LYS A 54 1.948 7.653 5.410 1.00 0.00 C ATOM 889 NZ LYS A 54 1.714 6.766 6.584 1.00 0.00 N ATOM 0 H LYS A 54 2.496 11.790 2.932 1.00 0.00 H new ATOM 0 HA LYS A 54 5.006 11.600 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.367 9.478 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.663 9.164 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.015 10.818 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.855 9.939 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.004 8.255 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.952 9.015 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.017 8.151 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.247 7.049 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.978 6.069 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.596 6.271 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.404 7.338 7.395 1.00 0.00 H new ATOM 903 N LEU A 55 5.003 11.239 0.935 1.00 0.00 N ATOM 904 CA LEU A 55 5.863 11.135 -0.240 1.00 0.00 C ATOM 905 C LEU A 55 6.956 12.196 -0.208 1.00 0.00 C ATOM 906 O LEU A 55 8.137 11.895 -0.386 1.00 0.00 O ATOM 907 CB LEU A 55 5.036 11.288 -1.520 1.00 0.00 C ATOM 908 CG LEU A 55 3.956 10.223 -1.743 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.893 9.835 -3.207 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.212 8.992 -0.887 1.00 0.00 C ATOM 0 H LEU A 55 4.023 11.430 0.726 1.00 0.00 H new ATOM 0 HA LEU A 55 6.330 10.150 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.558 12.267 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.714 11.276 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 55 2.998 10.650 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.122 9.078 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.655 10.714 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.857 9.434 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.430 8.255 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.181 8.564 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.209 9.274 0.166 1.00 0.00 H new ATOM 922 N GLY A 56 6.548 13.441 0.013 1.00 0.00 N ATOM 923 CA GLY A 56 7.493 14.544 0.056 1.00 0.00 C ATOM 924 C GLY A 56 6.929 15.804 -0.572 1.00 0.00 C ATOM 925 O GLY A 56 7.421 16.905 -0.323 1.00 0.00 O ATOM 0 H GLY A 56 5.575 13.708 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.766 14.747 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.407 14.258 -0.464 1.00 0.00 H new ATOM 929 N ARG A 57 5.892 15.639 -1.391 1.00 0.00 N ATOM 930 CA ARG A 57 5.253 16.765 -2.061 1.00 0.00 C ATOM 931 C ARG A 57 3.763 16.493 -2.255 1.00 0.00 C ATOM 932 O ARG A 57 3.193 15.622 -1.598 1.00 0.00 O ATOM 933 CB ARG A 57 5.926 17.025 -3.412 1.00 0.00 C ATOM 934 CG ARG A 57 7.444 16.986 -3.352 1.00 0.00 C ATOM 935 CD ARG A 57 8.067 17.364 -4.686 1.00 0.00 C ATOM 936 NE ARG A 57 9.209 16.515 -5.016 1.00 0.00 N ATOM 937 CZ ARG A 57 10.424 16.670 -4.494 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.658 17.639 -3.617 1.00 0.00 N ATOM 939 NH2 ARG A 57 11.407 15.854 -4.848 1.00 0.00 N ATOM 0 H ARG A 57 5.477 14.732 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 57 5.364 17.652 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.580 16.282 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.610 17.999 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.796 17.669 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.772 15.986 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.316 17.284 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.386 18.406 -4.655 1.00 0.00 H new ATOM 0 HE ARG A 57 9.067 15.759 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.905 18.269 -3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.591 17.753 -3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.233 15.107 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.338 15.973 -4.448 1.00 0.00 H new ATOM 953 N ASP A 58 3.135 17.244 -3.154 1.00 0.00 N ATOM 954 CA ASP A 58 1.709 17.079 -3.423 1.00 0.00 C ATOM 955 C ASP A 58 1.472 16.557 -4.839 1.00 0.00 C ATOM 956 O ASP A 58 0.384 16.721 -5.394 1.00 0.00 O ATOM 957 CB ASP A 58 0.977 18.408 -3.229 1.00 0.00 C ATOM 958 CG ASP A 58 1.181 18.982 -1.841 1.00 0.00 C ATOM 959 OD1 ASP A 58 0.533 18.489 -0.893 1.00 0.00 O ATOM 960 OD2 ASP A 58 1.990 19.923 -1.699 1.00 0.00 O ATOM 0 H ASP A 58 3.588 17.971 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 58 1.317 16.346 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.328 19.125 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.089 18.262 -3.406 1.00 0.00 H new ATOM 965 N THR A 59 2.491 15.929 -5.419 1.00 0.00 N ATOM 966 CA THR A 59 2.384 15.385 -6.769 1.00 0.00 C ATOM 967 C THR A 59 2.624 13.878 -6.771 1.00 0.00 C ATOM 968 O THR A 59 3.147 13.323 -5.805 1.00 0.00 O ATOM 969 CB THR A 59 3.383 16.073 -7.700 1.00 0.00 C ATOM 970 OG1 THR A 59 3.315 15.523 -9.005 1.00 0.00 O ATOM 971 CG2 THR A 59 4.817 15.959 -7.228 1.00 0.00 C ATOM 0 H THR A 59 3.398 15.784 -4.976 1.00 0.00 H new ATOM 0 HA THR A 59 1.373 15.574 -7.129 1.00 0.00 H new ATOM 0 HB THR A 59 3.100 17.126 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.960 15.978 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.474 16.468 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.914 16.419 -6.245 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.097 14.907 -7.166 1.00 0.00 H new ATOM 979 N GLN A 60 2.240 13.223 -7.863 1.00 0.00 N ATOM 980 CA GLN A 60 2.415 11.780 -7.996 1.00 0.00 C ATOM 981 C GLN A 60 3.122 11.440 -9.305 1.00 0.00 C ATOM 982 O GLN A 60 2.511 11.454 -10.373 1.00 0.00 O ATOM 983 CB GLN A 60 1.061 11.072 -7.940 1.00 0.00 C ATOM 984 CG GLN A 60 0.209 11.481 -6.751 1.00 0.00 C ATOM 985 CD GLN A 60 -0.587 12.745 -7.011 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.146 13.849 -6.692 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.770 12.589 -7.595 1.00 0.00 N ATOM 0 H GLN A 60 1.805 13.670 -8.670 1.00 0.00 H new ATOM 0 HA GLN A 60 3.032 11.436 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.513 11.282 -8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.225 9.995 -7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.475 10.670 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.851 11.633 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.097 11.655 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.351 13.403 -7.796 1.00 0.00 H new ATOM 996 N ILE A 61 4.411 11.132 -9.213 1.00 0.00 N ATOM 997 CA ILE A 61 5.201 10.792 -10.390 1.00 0.00 C ATOM 998 C ILE A 61 4.822 9.421 -10.935 1.00 0.00 C ATOM 999 O ILE A 61 5.511 8.431 -10.688 1.00 0.00 O ATOM 1000 CB ILE A 61 6.710 10.809 -10.078 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.005 9.987 -8.823 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.201 12.239 -9.910 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.362 9.319 -8.841 1.00 0.00 C ATOM 0 H ILE A 61 4.931 11.111 -8.336 1.00 0.00 H new ATOM 0 HA ILE A 61 4.983 11.549 -11.143 1.00 0.00 H new ATOM 0 HB ILE A 61 7.243 10.359 -10.916 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.941 10.637 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.235 9.224 -8.710 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.269 12.234 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.023 12.795 -10.830 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.664 12.714 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.502 8.754 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.424 8.643 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.140 10.078 -8.923 1.00 0.00 H new ATOM 1015 N GLY A 62 3.719 9.369 -11.678 1.00 0.00 N ATOM 1016 CA GLY A 62 3.265 8.114 -12.249 1.00 0.00 C ATOM 1017 C GLY A 62 3.229 6.991 -11.230 1.00 0.00 C ATOM 1018 O GLY A 62 3.356 5.819 -11.584 1.00 0.00 O ATOM 0 H GLY A 62 3.132 10.175 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.269 8.250 -12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.924 7.833 -13.071 1.00 0.00 H new ATOM 1022 N LEU A 63 3.065 7.353 -9.963 1.00 0.00 N ATOM 1023 CA LEU A 63 3.020 6.367 -8.889 1.00 0.00 C ATOM 1024 C LEU A 63 1.923 5.334 -9.135 1.00 0.00 C ATOM 1025 O LEU A 63 1.090 5.499 -10.026 1.00 0.00 O ATOM 1026 CB LEU A 63 2.796 7.045 -7.543 1.00 0.00 C ATOM 1027 CG LEU A 63 3.455 6.355 -6.341 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.709 5.584 -6.743 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.805 7.385 -5.299 1.00 0.00 C ATOM 0 H LEU A 63 2.961 8.320 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 63 3.982 5.855 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.170 8.067 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.723 7.108 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 63 2.741 5.638 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.143 5.111 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.447 4.819 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.434 6.271 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.273 6.895 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.497 8.112 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.899 7.895 -4.972 1.00 0.00 H new ATOM 1041 N THR A 64 1.926 4.275 -8.333 1.00 0.00 N ATOM 1042 CA THR A 64 0.931 3.219 -8.467 1.00 0.00 C ATOM 1043 C THR A 64 0.656 2.539 -7.129 1.00 0.00 C ATOM 1044 O THR A 64 1.477 2.587 -6.214 1.00 0.00 O ATOM 1045 CB THR A 64 1.397 2.182 -9.491 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.495 1.442 -8.989 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.818 2.792 -10.810 1.00 0.00 C ATOM 0 H THR A 64 2.604 4.126 -7.586 1.00 0.00 H new ATOM 0 HA THR A 64 0.004 3.677 -8.811 1.00 0.00 H new ATOM 0 HB THR A 64 0.534 1.539 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.778 0.783 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.137 2.003 -11.491 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.977 3.330 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.644 3.484 -10.644 1.00 0.00 H new ATOM 1055 N MET A 65 -0.500 1.893 -7.030 1.00 0.00 N ATOM 1056 CA MET A 65 -0.881 1.189 -5.814 1.00 0.00 C ATOM 1057 C MET A 65 -0.723 -0.316 -5.994 1.00 0.00 C ATOM 1058 O MET A 65 -0.688 -0.812 -7.121 1.00 0.00 O ATOM 1059 CB MET A 65 -2.324 1.525 -5.433 1.00 0.00 C ATOM 1060 CG MET A 65 -2.467 2.857 -4.714 1.00 0.00 C ATOM 1061 SD MET A 65 -1.985 4.257 -5.743 1.00 0.00 S ATOM 1062 CE MET A 65 -3.312 4.271 -6.944 1.00 0.00 C ATOM 0 H MET A 65 -1.190 1.843 -7.779 1.00 0.00 H new ATOM 0 HA MET A 65 -0.221 1.514 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.935 1.541 -6.335 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.717 0.733 -4.795 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.502 2.984 -4.396 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.855 2.846 -3.812 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.319 5.227 -7.467 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.161 3.466 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.265 4.128 -6.435 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.613 -1.070 -4.887 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.646 -0.536 -3.520 1.00 0.00 C ATOM 1074 C PRO A 66 0.686 0.064 -3.083 1.00 0.00 C ATOM 1075 O PRO A 66 1.754 -0.431 -3.447 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.975 -1.771 -2.662 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.220 -2.882 -3.631 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.460 -2.522 -4.869 1.00 0.00 C ATOM 0 HA PRO A 66 -1.365 0.278 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.151 -2.012 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.852 -1.593 -2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.879 -3.835 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.284 -2.988 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.586 -2.824 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.879 -2.991 -5.759 1.00 0.00 H new ATOM 1086 N GLN A 67 0.612 1.119 -2.276 1.00 0.00 N ATOM 1087 CA GLN A 67 1.806 1.775 -1.761 1.00 0.00 C ATOM 1088 C GLN A 67 1.960 1.473 -0.277 1.00 0.00 C ATOM 1089 O GLN A 67 1.071 1.766 0.519 1.00 0.00 O ATOM 1090 CB GLN A 67 1.731 3.286 -1.990 1.00 0.00 C ATOM 1091 CG GLN A 67 1.962 3.693 -3.436 1.00 0.00 C ATOM 1092 CD GLN A 67 3.411 3.548 -3.858 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.312 3.499 -3.020 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.645 3.481 -5.163 1.00 0.00 N ATOM 0 H GLN A 67 -0.265 1.537 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 67 2.675 1.391 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.752 3.645 -1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.472 3.778 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.335 3.082 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.649 4.728 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.869 3.525 -5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.601 3.385 -5.505 1.00 0.00 H new ATOM 1103 N VAL A 68 3.077 0.863 0.091 1.00 0.00 N ATOM 1104 CA VAL A 68 3.313 0.505 1.482 1.00 0.00 C ATOM 1105 C VAL A 68 4.032 1.614 2.241 1.00 0.00 C ATOM 1106 O VAL A 68 4.745 2.430 1.654 1.00 0.00 O ATOM 1107 CB VAL A 68 4.125 -0.800 1.609 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.929 -1.415 2.986 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.738 -1.788 0.517 1.00 0.00 C ATOM 0 H VAL A 68 3.829 0.607 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 68 2.328 0.355 1.924 1.00 0.00 H new ATOM 0 HB VAL A 68 5.181 -0.560 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.509 -2.335 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.265 -0.713 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.873 -1.638 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.324 -2.700 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.677 -2.026 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.935 -1.346 -0.460 1.00 0.00 H new ATOM 1119 N PHE A 69 3.841 1.627 3.557 1.00 0.00 N ATOM 1120 CA PHE A 69 4.464 2.626 4.416 1.00 0.00 C ATOM 1121 C PHE A 69 4.874 2.009 5.747 1.00 0.00 C ATOM 1122 O PHE A 69 4.139 1.212 6.327 1.00 0.00 O ATOM 1123 CB PHE A 69 3.505 3.792 4.651 1.00 0.00 C ATOM 1124 CG PHE A 69 3.517 4.791 3.536 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.694 4.627 2.434 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.365 5.883 3.582 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.715 5.538 1.396 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.390 6.800 2.549 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.564 6.626 1.454 1.00 0.00 C ATOM 0 H PHE A 69 3.257 0.953 4.052 1.00 0.00 H new ATOM 0 HA PHE A 69 5.359 2.999 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.494 3.405 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.770 4.292 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.029 3.778 2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.014 6.020 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.069 5.400 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.053 7.651 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.583 7.340 0.644 1.00 0.00 H new ATOM 1139 N ALA A 70 6.064 2.372 6.214 1.00 0.00 N ATOM 1140 CA ALA A 70 6.596 1.845 7.467 1.00 0.00 C ATOM 1141 C ALA A 70 5.565 1.915 8.593 1.00 0.00 C ATOM 1142 O ALA A 70 4.638 2.725 8.549 1.00 0.00 O ATOM 1143 CB ALA A 70 7.855 2.600 7.861 1.00 0.00 C ATOM 0 H ALA A 70 6.681 3.032 5.741 1.00 0.00 H new ATOM 0 HA ALA A 70 6.841 0.795 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.242 2.198 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.606 2.488 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.620 3.657 7.990 1.00 0.00 H new ATOM 1149 N PRO A 71 5.716 1.062 9.622 1.00 0.00 N ATOM 1150 CA PRO A 71 4.801 1.032 10.768 1.00 0.00 C ATOM 1151 C PRO A 71 4.657 2.402 11.421 1.00 0.00 C ATOM 1152 O PRO A 71 3.568 2.791 11.842 1.00 0.00 O ATOM 1153 CB PRO A 71 5.465 0.047 11.734 1.00 0.00 C ATOM 1154 CG PRO A 71 6.316 -0.817 10.870 1.00 0.00 C ATOM 1155 CD PRO A 71 6.795 0.064 9.752 1.00 0.00 C ATOM 0 HA PRO A 71 3.791 0.743 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.062 0.568 12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.722 -0.541 12.272 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.156 -1.226 11.432 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.748 -1.664 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.750 0.532 9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.937 -0.498 8.829 1.00 0.00 H new ATOM 1163 N ASP A 72 5.766 3.131 11.500 1.00 0.00 N ATOM 1164 CA ASP A 72 5.770 4.460 12.102 1.00 0.00 C ATOM 1165 C ASP A 72 5.519 5.542 11.053 1.00 0.00 C ATOM 1166 O ASP A 72 5.101 6.651 11.383 1.00 0.00 O ATOM 1167 CB ASP A 72 7.105 4.718 12.802 1.00 0.00 C ATOM 1168 CG ASP A 72 8.292 4.513 11.881 1.00 0.00 C ATOM 1169 OD1 ASP A 72 8.659 3.344 11.638 1.00 0.00 O ATOM 1170 OD2 ASP A 72 8.852 5.520 11.401 1.00 0.00 O ATOM 0 H ASP A 72 6.675 2.823 11.154 1.00 0.00 H new ATOM 0 HA ASP A 72 4.964 4.499 12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.119 5.738 13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.196 4.053 13.661 1.00 0.00 H new ATOM 1175 N GLY A 73 5.780 5.216 9.790 1.00 0.00 N ATOM 1176 CA GLY A 73 5.575 6.176 8.724 1.00 0.00 C ATOM 1177 C GLY A 73 6.822 6.396 7.888 1.00 0.00 C ATOM 1178 O GLY A 73 7.629 7.277 8.184 1.00 0.00 O ATOM 0 H GLY A 73 6.129 4.306 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.767 5.831 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.257 7.127 9.152 1.00 0.00 H new ATOM 1182 N SER A 74 6.978 5.591 6.842 1.00 0.00 N ATOM 1183 CA SER A 74 8.131 5.700 5.955 1.00 0.00 C ATOM 1184 C SER A 74 7.882 4.943 4.655 1.00 0.00 C ATOM 1185 O SER A 74 7.716 3.723 4.656 1.00 0.00 O ATOM 1186 CB SER A 74 9.388 5.164 6.643 1.00 0.00 C ATOM 1187 OG SER A 74 9.201 5.059 8.044 1.00 0.00 O ATOM 0 H SER A 74 6.319 4.855 6.587 1.00 0.00 H new ATOM 0 HA SER A 74 8.282 6.754 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.641 4.186 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.230 5.825 6.434 1.00 0.00 H new ATOM 0 HG SER A 74 10.019 4.713 8.458 1.00 0.00 H new ATOM 1193 N HIS A 75 7.852 5.676 3.548 1.00 0.00 N ATOM 1194 CA HIS A 75 7.615 5.081 2.238 1.00 0.00 C ATOM 1195 C HIS A 75 8.613 3.962 1.948 1.00 0.00 C ATOM 1196 O HIS A 75 9.805 4.210 1.768 1.00 0.00 O ATOM 1197 CB HIS A 75 7.707 6.151 1.150 1.00 0.00 C ATOM 1198 CG HIS A 75 6.773 5.919 0.004 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.918 6.501 -1.236 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.658 5.148 -0.073 1.00 0.00 C ATOM 1201 CE1 HIS A 75 5.910 6.077 -2.010 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.118 5.253 -1.351 1.00 0.00 N ATOM 0 H HIS A 75 7.989 6.687 3.532 1.00 0.00 H new ATOM 0 HA HIS A 75 6.613 4.652 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.494 7.125 1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.729 6.188 0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.255 4.549 0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.765 6.371 -3.039 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.282 4.789 -1.705 1.00 0.00 H new ATOM 1210 N ILE A 76 8.113 2.730 1.894 1.00 0.00 N ATOM 1211 CA ILE A 76 8.958 1.572 1.616 1.00 0.00 C ATOM 1212 C ILE A 76 8.857 1.183 0.149 1.00 0.00 C ATOM 1213 O ILE A 76 9.830 0.736 -0.457 1.00 0.00 O ATOM 1214 CB ILE A 76 8.562 0.359 2.487 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.680 0.712 3.966 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.423 -0.854 2.162 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.552 0.155 4.797 1.00 0.00 C ATOM 0 H ILE A 76 7.128 2.508 2.039 1.00 0.00 H new ATOM 0 HA ILE A 76 9.983 1.854 1.855 1.00 0.00 H new ATOM 0 HB ILE A 76 7.525 0.105 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.628 0.334 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.702 1.796 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.122 -1.693 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.294 -1.121 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.470 -0.618 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.693 0.440 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.604 0.553 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.543 -0.932 4.716 1.00 0.00 H new ATOM 1229 N GLY A 77 7.665 1.344 -0.409 1.00 0.00 N ATOM 1230 CA GLY A 77 7.445 1.002 -1.798 1.00 0.00 C ATOM 1231 C GLY A 77 6.196 0.173 -1.992 1.00 0.00 C ATOM 1232 O GLY A 77 5.246 0.275 -1.220 1.00 0.00 O ATOM 0 H GLY A 77 6.845 1.706 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.368 1.916 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.307 0.451 -2.176 1.00 0.00 H new ATOM 1236 N GLY A 78 6.202 -0.644 -3.032 1.00 0.00 N ATOM 1237 CA GLY A 78 5.062 -1.491 -3.322 1.00 0.00 C ATOM 1238 C GLY A 78 5.314 -2.935 -2.944 1.00 0.00 C ATOM 1239 O GLY A 78 5.935 -3.214 -1.920 1.00 0.00 O ATOM 0 H GLY A 78 6.980 -0.737 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.190 -1.122 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.827 -1.431 -4.385 1.00 0.00 H new ATOM 1243 N PHE A 79 4.837 -3.856 -3.773 1.00 0.00 N ATOM 1244 CA PHE A 79 5.020 -5.279 -3.519 1.00 0.00 C ATOM 1245 C PHE A 79 6.463 -5.695 -3.791 1.00 0.00 C ATOM 1246 O PHE A 79 7.195 -6.071 -2.876 1.00 0.00 O ATOM 1247 CB PHE A 79 4.061 -6.095 -4.391 1.00 0.00 C ATOM 1248 CG PHE A 79 4.317 -7.577 -4.365 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.510 -8.243 -3.165 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.366 -8.300 -5.546 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.744 -9.605 -3.145 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.601 -9.661 -5.530 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.790 -10.315 -4.328 1.00 0.00 C ATOM 0 H PHE A 79 4.321 -3.643 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 79 4.799 -5.474 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.039 -5.908 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.134 -5.743 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.477 -7.692 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.219 -7.794 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.891 -10.114 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.637 -10.214 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.973 -11.379 -4.314 1.00 0.00 H new ATOM 1263 N ASP A 80 6.866 -5.625 -5.057 1.00 0.00 N ATOM 1264 CA ASP A 80 8.221 -5.994 -5.449 1.00 0.00 C ATOM 1265 C ASP A 80 9.247 -5.076 -4.794 1.00 0.00 C ATOM 1266 O ASP A 80 10.285 -5.533 -4.314 1.00 0.00 O ATOM 1267 CB ASP A 80 8.367 -5.938 -6.971 1.00 0.00 C ATOM 1268 CG ASP A 80 9.673 -6.543 -7.450 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.534 -6.852 -6.600 1.00 0.00 O ATOM 1270 OD2 ASP A 80 9.834 -6.709 -8.678 1.00 0.00 O ATOM 0 H ASP A 80 6.273 -5.316 -5.828 1.00 0.00 H new ATOM 0 HA ASP A 80 8.405 -7.014 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.534 -6.467 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.308 -4.901 -7.301 1.00 0.00 H new ATOM 1275 N GLN A 81 8.951 -3.779 -4.776 1.00 0.00 N ATOM 1276 CA GLN A 81 9.850 -2.799 -4.178 1.00 0.00 C ATOM 1277 C GLN A 81 10.141 -3.154 -2.724 1.00 0.00 C ATOM 1278 O GLN A 81 11.296 -3.189 -2.300 1.00 0.00 O ATOM 1279 CB GLN A 81 9.245 -1.396 -4.266 1.00 0.00 C ATOM 1280 CG GLN A 81 10.179 -0.367 -4.881 1.00 0.00 C ATOM 1281 CD GLN A 81 11.528 -0.316 -4.190 1.00 0.00 C ATOM 1282 OE1 GLN A 81 11.609 -0.324 -2.962 1.00 0.00 O ATOM 1283 NE2 GLN A 81 12.594 -0.261 -4.979 1.00 0.00 N ATOM 0 H GLN A 81 8.096 -3.384 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 81 10.788 -2.813 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.329 -1.441 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.964 -1.067 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.324 -0.599 -5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.712 0.617 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.479 -0.257 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.528 -0.223 -4.572 1.00 0.00 H new ATOM 1292 N LEU A 82 9.083 -3.426 -1.966 1.00 0.00 N ATOM 1293 CA LEU A 82 9.225 -3.789 -0.563 1.00 0.00 C ATOM 1294 C LEU A 82 9.745 -5.211 -0.421 1.00 0.00 C ATOM 1295 O LEU A 82 10.567 -5.497 0.446 1.00 0.00 O ATOM 1296 CB LEU A 82 7.904 -3.648 0.168 1.00 0.00 C ATOM 1297 CG LEU A 82 7.926 -4.237 1.568 1.00 0.00 C ATOM 1298 CD1 LEU A 82 7.203 -3.342 2.544 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.335 -5.624 1.541 1.00 0.00 C ATOM 0 H LEU A 82 8.120 -3.402 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 82 9.947 -3.106 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.642 -2.592 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.122 -4.137 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 82 8.959 -4.308 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.234 -3.788 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.686 -2.365 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.165 -3.225 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.351 -6.046 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.306 -5.574 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.920 -6.256 0.873 1.00 0.00 H new ATOM 1311 N ARG A 83 9.271 -6.098 -1.282 1.00 0.00 N ATOM 1312 CA ARG A 83 9.709 -7.491 -1.251 1.00 0.00 C ATOM 1313 C ARG A 83 11.231 -7.557 -1.215 1.00 0.00 C ATOM 1314 O ARG A 83 11.809 -8.501 -0.677 1.00 0.00 O ATOM 1315 CB ARG A 83 9.175 -8.245 -2.471 1.00 0.00 C ATOM 1316 CG ARG A 83 9.563 -9.714 -2.499 1.00 0.00 C ATOM 1317 CD ARG A 83 8.900 -10.441 -3.657 1.00 0.00 C ATOM 1318 NE ARG A 83 9.166 -11.878 -3.626 1.00 0.00 N ATOM 1319 CZ ARG A 83 8.803 -12.718 -4.593 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.163 -12.273 -5.666 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.082 -14.011 -4.485 1.00 0.00 N ATOM 0 H ARG A 83 8.587 -5.883 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 83 9.313 -7.964 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.088 -8.165 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.546 -7.763 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.646 -9.804 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.276 -10.186 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.824 -10.271 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.259 -10.026 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 83 9.658 -12.259 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.945 -11.280 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.888 -12.923 -6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.574 -14.360 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.805 -14.656 -5.225 1.00 0.00 H new ATOM 1335 N GLU A 84 11.874 -6.532 -1.770 1.00 0.00 N ATOM 1336 CA GLU A 84 13.326 -6.463 -1.775 1.00 0.00 C ATOM 1337 C GLU A 84 13.832 -6.194 -0.366 1.00 0.00 C ATOM 1338 O GLU A 84 14.866 -6.721 0.046 1.00 0.00 O ATOM 1339 CB GLU A 84 13.816 -5.376 -2.733 1.00 0.00 C ATOM 1340 CG GLU A 84 15.290 -5.492 -3.082 1.00 0.00 C ATOM 1341 CD GLU A 84 16.160 -4.575 -2.245 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.947 -3.345 -2.295 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.056 -5.086 -1.540 1.00 0.00 O ATOM 0 H GLU A 84 11.411 -5.742 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 84 13.720 -7.419 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.229 -5.421 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.633 -4.399 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.613 -6.523 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.430 -5.256 -4.137 1.00 0.00 H new ATOM 1350 N TYR A 85 13.074 -5.398 0.382 1.00 0.00 N ATOM 1351 CA TYR A 85 13.421 -5.095 1.757 1.00 0.00 C ATOM 1352 C TYR A 85 13.350 -6.375 2.572 1.00 0.00 C ATOM 1353 O TYR A 85 14.169 -6.621 3.456 1.00 0.00 O ATOM 1354 CB TYR A 85 12.452 -4.029 2.293 1.00 0.00 C ATOM 1355 CG TYR A 85 12.311 -3.943 3.801 1.00 0.00 C ATOM 1356 CD1 TYR A 85 13.284 -4.426 4.669 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.183 -3.353 4.351 1.00 0.00 C ATOM 1358 CE1 TYR A 85 13.132 -4.322 6.039 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.025 -3.242 5.714 1.00 0.00 C ATOM 1360 CZ TYR A 85 12.001 -3.727 6.556 1.00 0.00 C ATOM 1361 OH TYR A 85 11.846 -3.618 7.919 1.00 0.00 O ATOM 0 H TYR A 85 12.216 -4.953 0.055 1.00 0.00 H new ATOM 0 HA TYR A 85 14.434 -4.699 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.776 -3.056 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.466 -4.219 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.172 -4.890 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.413 -2.973 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.895 -4.705 6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.140 -2.777 6.121 1.00 0.00 H new ATOM 0 HH TYR A 85 10.995 -3.173 8.117 1.00 0.00 H new ATOM 1371 N PHE A 86 12.373 -7.202 2.246 1.00 0.00 N ATOM 1372 CA PHE A 86 12.195 -8.463 2.936 1.00 0.00 C ATOM 1373 C PHE A 86 13.044 -9.569 2.313 1.00 0.00 C ATOM 1374 O PHE A 86 13.319 -10.585 2.952 1.00 0.00 O ATOM 1375 CB PHE A 86 10.717 -8.859 2.930 1.00 0.00 C ATOM 1376 CG PHE A 86 9.917 -8.200 4.018 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.299 -8.317 5.345 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.788 -7.461 3.713 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.567 -7.710 6.347 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.051 -6.849 4.712 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.442 -6.974 6.031 1.00 0.00 C ATOM 0 H PHE A 86 11.692 -7.022 1.508 1.00 0.00 H new ATOM 0 HA PHE A 86 12.528 -8.333 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.284 -8.601 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.638 -9.941 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.179 -8.889 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.478 -7.360 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.874 -7.811 7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.172 -6.275 4.461 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.869 -6.497 6.813 1.00 0.00 H new ATOM 1391 N LYS A 87 13.456 -9.369 1.066 1.00 0.00 N ATOM 1392 CA LYS A 87 14.271 -10.353 0.364 1.00 0.00 C ATOM 1393 C LYS A 87 13.541 -11.687 0.252 1.00 0.00 C ATOM 1394 O LYS A 87 12.824 -11.887 -0.751 1.00 0.00 O ATOM 1395 CB LYS A 87 15.607 -10.547 1.084 1.00 0.00 C ATOM 1396 CG LYS A 87 16.586 -9.406 0.866 1.00 0.00 C ATOM 1397 CD LYS A 87 17.799 -9.533 1.775 1.00 0.00 C ATOM 1398 CE LYS A 87 17.499 -9.024 3.175 1.00 0.00 C ATOM 1399 NZ LYS A 87 17.401 -7.539 3.220 1.00 0.00 N ATOM 1400 OXT LYS A 87 13.691 -12.521 1.170 1.00 0.00 O ATOM 0 H LYS A 87 13.239 -8.535 0.521 1.00 0.00 H new ATOM 0 HA LYS A 87 14.460 -9.979 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.422 -10.657 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.063 -11.476 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.909 -9.396 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.087 -8.455 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.111 -10.576 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.632 -8.971 1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.564 -9.460 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.282 -9.356 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.914 -7.182 4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.819 -7.137 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.401 -7.259 3.284 1.00 0.00 H new