USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1350 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 MET CE :methyl 172:sc= -2.19! (180deg=-2.46!) USER MOD Set 1.2: B 68 CYS SG : rot -72:sc= -0.194 USER MOD Set 2.1: B 33 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0225) USER MOD Set 2.2: B 37 ASN :FLIP amide:sc= -1.27 F(o=-3.5!,f=-1.3) USER MOD Set 3.1: A 85 HIS : no HE2:sc= -5.48! C(o=-16!,f=-21!) USER MOD Set 3.2: B 15 HIS : no HE2:sc= -3.56! X(o=-16!,f=-16) USER MOD Set 3.3: B 25 HIS : no HD1:sc= -6.57! C(o=-16!,f=-16!) USER MOD Set 4.1: A 81 THR OG1 : rot 51:sc= -1.49 USER MOD Set 4.2: B 74 MET CE :methyl -171:sc= -1.72! (180deg=-1.8!) USER MOD Set 5.1: A 74 MET CE :methyl -174:sc= -1.81! (180deg=-1.9!) USER MOD Set 5.2: B 81 THR OG1 : rot 49:sc= -1.54 USER MOD Set 6.1: A 57 MET CE :methyl 172:sc= -2.17! (180deg=-2.59!) USER MOD Set 6.2: A 68 CYS SG : rot -72:sc= -0.166 USER MOD Set 7.1: A 33 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0201) USER MOD Set 7.2: A 37 ASN :FLIP amide:sc= -1.23 F(o=-3.6!,f=-1.2) USER MOD Set 8.1: A 15 HIS : no HE2:sc= -3.54! X(o=-16!,f=-16) USER MOD Set 8.2: A 25 HIS : no HD1:sc= -6.6! C(o=-16!,f=-16!) USER MOD Set 8.3: B 85 HIS : no HE2:sc= -5.51! C(o=-16!,f=-21!) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0763) USER MOD Single : A 7 MET CE :methyl 138:sc= -1.52 (180deg=-5.74!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 17 TYR OH : rot 15:sc= -0.0208 USER MOD Single : A 18 SER OG : rot 115:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0252 (180deg=-0.271) USER MOD Single : A 26 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 LYS NZ :NH3+ 152:sc= -0.708 (180deg=-1.4) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.3!) USER MOD Single : A 41 SER OG : rot 145:sc= 0.293 USER MOD Single : A 42 HIS : no HD1:sc= -0.0064 X(o=-0.0064,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 50 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.0374 USER MOD Single : A 71 GLN : amide:sc= -6.17! C(o=-6.2!,f=-13!) USER MOD Single : A 78 SER OG : rot 177:sc= 0.676 USER MOD Single : A 79 MET CE :methyl 174:sc= 0 (180deg=-0.0588) USER MOD Single : A 82 THR OG1 : rot 29:sc= -1.31 USER MOD Single : A 84 CYS SG : rot -22:sc= 0.493 USER MOD Single : B 5 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0813) USER MOD Single : B 7 MET CE :methyl 138:sc= -1.35 (180deg=-5.62!) USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : B 17 TYR OH : rot 15:sc= -0.0197 USER MOD Single : B 18 SER OG : rot 118:sc= 1.23 USER MOD Single : B 24 LYS NZ :NH3+ -163:sc= -0.0205 (180deg=-0.263) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 147:sc= -0.74 (180deg=-1.45) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 38 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.2!) USER MOD Single : B 41 SER OG : rot 145:sc= 0.306 USER MOD Single : B 42 HIS : no HD1:sc=-0.00331 X(o=-0.0033,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc=-0.00283 (180deg=-0.14) USER MOD Single : B 50 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot -160:sc= -0.0352 USER MOD Single : B 71 GLN : amide:sc= -6.41! C(o=-6.4!,f=-13!) USER MOD Single : B 78 SER OG : rot 177:sc= 0.686 USER MOD Single : B 79 MET CE :methyl 174:sc= 0 (180deg=-0.0566) USER MOD Single : B 82 THR OG1 : rot 21:sc= -1.3 USER MOD Single : B 84 CYS SG : rot -22:sc= 0.477 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.960 1.313 12.211 1.00 0.00 N ATOM 32 CA GLU A 2 -6.807 0.409 11.955 1.00 0.00 C ATOM 33 C GLU A 2 -5.941 0.990 10.833 1.00 0.00 C ATOM 34 O GLU A 2 -4.735 0.856 10.840 1.00 0.00 O ATOM 35 CB GLU A 2 -7.322 -0.975 11.554 1.00 0.00 C ATOM 36 CG GLU A 2 -7.815 -1.716 12.798 1.00 0.00 C ATOM 37 CD GLU A 2 -6.616 -2.210 13.611 1.00 0.00 C ATOM 38 OE1 GLU A 2 -6.170 -3.317 13.359 1.00 0.00 O ATOM 39 OE2 GLU A 2 -6.168 -1.472 14.473 1.00 0.00 O ATOM 0 HA GLU A 2 -6.206 0.318 12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.132 -0.878 10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.528 -1.544 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.432 -1.055 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.442 -2.559 12.507 1.00 0.00 H new ATOM 46 N LEU A 3 -6.538 1.640 9.872 1.00 0.00 N ATOM 47 CA LEU A 3 -5.720 2.220 8.766 1.00 0.00 C ATOM 48 C LEU A 3 -4.946 3.445 9.267 1.00 0.00 C ATOM 49 O LEU A 3 -3.994 3.870 8.651 1.00 0.00 O ATOM 50 CB LEU A 3 -6.611 2.633 7.586 1.00 0.00 C ATOM 51 CG LEU A 3 -7.401 1.430 7.054 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.184 1.849 5.805 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.444 0.278 6.690 1.00 0.00 C ATOM 0 H LEU A 3 -7.544 1.794 9.803 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.019 1.456 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.300 3.416 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.996 3.052 6.789 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.088 1.089 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.746 0.996 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.874 2.653 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.490 2.196 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.019 -0.568 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.747 0.613 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.888 -0.027 7.576 1.00 0.00 H new ATOM 65 N GLU A 4 -5.318 4.006 10.387 1.00 0.00 N ATOM 66 CA GLU A 4 -4.555 5.182 10.900 1.00 0.00 C ATOM 67 C GLU A 4 -3.247 4.665 11.488 1.00 0.00 C ATOM 68 O GLU A 4 -2.223 5.315 11.438 1.00 0.00 O ATOM 69 CB GLU A 4 -5.363 5.909 11.981 1.00 0.00 C ATOM 70 CG GLU A 4 -4.488 6.973 12.651 1.00 0.00 C ATOM 71 CD GLU A 4 -5.363 7.890 13.507 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.146 8.631 12.936 1.00 0.00 O ATOM 73 OE2 GLU A 4 -5.235 7.834 14.718 1.00 0.00 O ATOM 0 H GLU A 4 -6.106 3.707 10.962 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.360 5.888 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.244 6.374 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.718 5.196 12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.728 6.497 13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.963 7.556 11.894 1.00 0.00 H new ATOM 80 N LYS A 5 -3.282 3.482 12.028 1.00 0.00 N ATOM 81 CA LYS A 5 -2.056 2.880 12.608 1.00 0.00 C ATOM 82 C LYS A 5 -1.081 2.587 11.467 1.00 0.00 C ATOM 83 O LYS A 5 0.099 2.863 11.554 1.00 0.00 O ATOM 84 CB LYS A 5 -2.448 1.576 13.334 1.00 0.00 C ATOM 85 CG LYS A 5 -2.843 1.880 14.803 1.00 0.00 C ATOM 86 CD LYS A 5 -3.995 0.956 15.274 1.00 0.00 C ATOM 87 CE LYS A 5 -5.349 1.643 15.046 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.562 2.674 16.100 1.00 0.00 N ATOM 0 H LYS A 5 -4.118 2.901 12.092 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.583 3.555 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.281 1.099 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.615 0.874 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.977 1.746 15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.149 2.922 14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.961 0.013 14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.872 0.718 16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.374 2.105 14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.152 0.907 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.565 2.948 16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.290 2.285 17.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.979 3.510 15.891 1.00 0.00 H new ATOM 102 N ALA A 6 -1.573 2.030 10.399 1.00 0.00 N ATOM 103 CA ALA A 6 -0.695 1.714 9.243 1.00 0.00 C ATOM 104 C ALA A 6 -0.183 3.007 8.614 1.00 0.00 C ATOM 105 O ALA A 6 0.984 3.140 8.304 1.00 0.00 O ATOM 106 CB ALA A 6 -1.507 0.928 8.211 1.00 0.00 C ATOM 0 H ALA A 6 -2.554 1.778 10.277 1.00 0.00 H new ATOM 0 HA ALA A 6 0.157 1.122 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.875 0.689 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.872 0.005 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.353 1.529 7.879 1.00 0.00 H new ATOM 112 N MET A 7 -1.047 3.958 8.419 1.00 0.00 N ATOM 113 CA MET A 7 -0.611 5.241 7.805 1.00 0.00 C ATOM 114 C MET A 7 0.545 5.832 8.606 1.00 0.00 C ATOM 115 O MET A 7 1.490 6.355 8.056 1.00 0.00 O ATOM 116 CB MET A 7 -1.770 6.246 7.825 1.00 0.00 C ATOM 117 CG MET A 7 -2.887 5.826 6.855 1.00 0.00 C ATOM 118 SD MET A 7 -4.473 6.453 7.475 1.00 0.00 S ATOM 119 CE MET A 7 -5.553 5.676 6.250 1.00 0.00 C ATOM 0 H MET A 7 -2.037 3.904 8.658 1.00 0.00 H new ATOM 0 HA MET A 7 -0.297 5.047 6.779 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.172 6.322 8.835 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.402 7.235 7.553 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.689 6.222 5.859 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.920 4.740 6.766 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.440 5.280 6.745 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.852 6.416 5.507 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.019 4.863 5.758 1.00 0.00 H new ATOM 129 N VAL A 8 0.470 5.770 9.902 1.00 0.00 N ATOM 130 CA VAL A 8 1.561 6.353 10.731 1.00 0.00 C ATOM 131 C VAL A 8 2.774 5.428 10.706 1.00 0.00 C ATOM 132 O VAL A 8 3.899 5.865 10.573 1.00 0.00 O ATOM 133 CB VAL A 8 1.063 6.532 12.170 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.235 6.881 13.092 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.031 7.662 12.210 1.00 0.00 C ATOM 0 H VAL A 8 -0.295 5.343 10.424 1.00 0.00 H new ATOM 0 HA VAL A 8 1.850 7.324 10.328 1.00 0.00 H new ATOM 0 HB VAL A 8 0.607 5.602 12.510 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.871 7.006 14.112 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.971 6.077 13.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.699 7.808 12.756 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.326 7.793 13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.492 8.588 11.865 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.809 7.411 11.562 1.00 0.00 H new ATOM 145 N ALA A 9 2.555 4.155 10.836 1.00 0.00 N ATOM 146 CA ALA A 9 3.697 3.208 10.822 1.00 0.00 C ATOM 147 C ALA A 9 4.404 3.272 9.465 1.00 0.00 C ATOM 148 O ALA A 9 5.599 3.073 9.371 1.00 0.00 O ATOM 149 CB ALA A 9 3.177 1.790 11.067 1.00 0.00 C ATOM 0 H ALA A 9 1.636 3.729 10.951 1.00 0.00 H new ATOM 0 HA ALA A 9 4.405 3.478 11.605 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.012 1.090 11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.678 1.748 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.469 1.521 10.283 1.00 0.00 H new ATOM 155 N LEU A 10 3.680 3.534 8.407 1.00 0.00 N ATOM 156 CA LEU A 10 4.328 3.588 7.064 1.00 0.00 C ATOM 157 C LEU A 10 5.029 4.937 6.859 1.00 0.00 C ATOM 158 O LEU A 10 6.169 4.986 6.465 1.00 0.00 O ATOM 159 CB LEU A 10 3.250 3.369 5.985 1.00 0.00 C ATOM 160 CG LEU A 10 3.073 1.848 5.697 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.596 1.527 5.437 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.908 1.451 4.469 1.00 0.00 C ATOM 0 H LEU A 10 2.676 3.712 8.415 1.00 0.00 H new ATOM 0 HA LEU A 10 5.083 2.806 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.303 3.796 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.532 3.889 5.069 1.00 0.00 H new ATOM 0 HG LEU A 10 3.413 1.284 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.485 0.461 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.006 1.795 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.246 2.096 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.781 0.387 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.576 2.023 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.960 1.661 4.661 1.00 0.00 H new ATOM 174 N ILE A 11 4.361 6.027 7.114 1.00 0.00 N ATOM 175 CA ILE A 11 5.000 7.365 6.914 1.00 0.00 C ATOM 176 C ILE A 11 6.398 7.360 7.538 1.00 0.00 C ATOM 177 O ILE A 11 7.295 8.037 7.077 1.00 0.00 O ATOM 178 CB ILE A 11 4.134 8.452 7.568 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.903 8.696 6.688 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.931 9.757 7.695 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.895 9.596 7.413 1.00 0.00 C ATOM 0 H ILE A 11 3.399 6.053 7.453 1.00 0.00 H new ATOM 0 HA ILE A 11 5.086 7.574 5.848 1.00 0.00 H new ATOM 0 HB ILE A 11 3.830 8.125 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.206 9.161 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.435 7.745 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.307 10.520 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.814 9.586 8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.239 10.093 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.027 9.759 6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.579 9.116 8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.362 10.554 7.642 1.00 0.00 H new ATOM 193 N ASP A 12 6.591 6.603 8.577 1.00 0.00 N ATOM 194 CA ASP A 12 7.934 6.564 9.216 1.00 0.00 C ATOM 195 C ASP A 12 8.886 5.738 8.352 1.00 0.00 C ATOM 196 O ASP A 12 9.964 6.176 8.008 1.00 0.00 O ATOM 197 CB ASP A 12 7.824 5.937 10.607 1.00 0.00 C ATOM 198 CG ASP A 12 7.083 6.894 11.543 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.825 8.013 11.130 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.788 6.493 12.656 1.00 0.00 O ATOM 0 H ASP A 12 5.882 6.012 9.011 1.00 0.00 H new ATOM 0 HA ASP A 12 8.320 7.579 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.294 4.987 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.818 5.724 11.001 1.00 0.00 H new ATOM 205 N VAL A 13 8.496 4.550 7.992 1.00 0.00 N ATOM 206 CA VAL A 13 9.379 3.705 7.144 1.00 0.00 C ATOM 207 C VAL A 13 9.339 4.217 5.702 1.00 0.00 C ATOM 208 O VAL A 13 10.273 4.042 4.946 1.00 0.00 O ATOM 209 CB VAL A 13 8.907 2.248 7.198 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.959 1.331 6.567 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.694 1.843 8.657 1.00 0.00 C ATOM 0 H VAL A 13 7.604 4.127 8.248 1.00 0.00 H new ATOM 0 HA VAL A 13 10.402 3.758 7.515 1.00 0.00 H new ATOM 0 HB VAL A 13 7.973 2.153 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.614 0.298 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.115 1.618 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.897 1.424 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.358 0.807 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.632 1.944 9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.940 2.489 9.107 1.00 0.00 H new ATOM 221 N PHE A 14 8.263 4.847 5.313 1.00 0.00 N ATOM 222 CA PHE A 14 8.179 5.360 3.914 1.00 0.00 C ATOM 223 C PHE A 14 9.105 6.576 3.755 1.00 0.00 C ATOM 224 O PHE A 14 9.841 6.682 2.795 1.00 0.00 O ATOM 225 CB PHE A 14 6.722 5.746 3.594 1.00 0.00 C ATOM 226 CG PHE A 14 6.669 6.740 2.449 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.145 6.375 1.184 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.154 8.028 2.657 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.107 7.296 0.129 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.116 8.947 1.602 1.00 0.00 C ATOM 231 CZ PHE A 14 6.592 8.580 0.338 1.00 0.00 C ATOM 0 H PHE A 14 7.446 5.028 5.896 1.00 0.00 H new ATOM 0 HA PHE A 14 8.498 4.584 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.153 4.853 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.252 6.177 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.541 5.384 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.786 8.311 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.476 7.015 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.720 9.939 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.562 9.288 -0.477 1.00 0.00 H new ATOM 241 N HIS A 15 9.057 7.499 4.674 1.00 0.00 N ATOM 242 CA HIS A 15 9.918 8.712 4.553 1.00 0.00 C ATOM 243 C HIS A 15 11.371 8.378 4.912 1.00 0.00 C ATOM 244 O HIS A 15 12.296 8.950 4.372 1.00 0.00 O ATOM 245 CB HIS A 15 9.386 9.802 5.494 1.00 0.00 C ATOM 246 CG HIS A 15 9.872 11.152 5.036 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.608 11.992 5.857 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.732 11.819 3.844 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.881 13.106 5.154 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.370 13.053 3.921 1.00 0.00 N ATOM 0 H HIS A 15 8.462 7.468 5.502 1.00 0.00 H new ATOM 0 HA HIS A 15 9.891 9.068 3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.296 9.783 5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.721 9.611 6.513 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.891 11.801 6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.207 11.443 2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.445 13.942 5.540 1.00 0.00 H new ATOM 258 N GLN A 16 11.584 7.467 5.821 1.00 0.00 N ATOM 259 CA GLN A 16 12.984 7.119 6.206 1.00 0.00 C ATOM 260 C GLN A 16 13.692 6.440 5.032 1.00 0.00 C ATOM 261 O GLN A 16 14.859 6.670 4.778 1.00 0.00 O ATOM 262 CB GLN A 16 12.964 6.170 7.410 1.00 0.00 C ATOM 263 CG GLN A 16 12.669 6.966 8.682 1.00 0.00 C ATOM 264 CD GLN A 16 12.460 6.003 9.852 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.998 4.815 9.809 1.00 0.00 O flip ATOM 266 NE2 GLN A 16 11.802 6.336 10.818 1.00 0.00 N flip ATOM 0 H GLN A 16 10.855 6.950 6.312 1.00 0.00 H new ATOM 0 HA GLN A 16 13.520 8.031 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.207 5.399 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.923 5.661 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.495 7.644 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.780 7.581 8.541 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.381 7.264 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.671 5.687 11.594 1.00 0.00 H new ATOM 275 N TYR A 17 12.996 5.610 4.303 1.00 0.00 N ATOM 276 CA TYR A 17 13.636 4.922 3.143 1.00 0.00 C ATOM 277 C TYR A 17 13.456 5.773 1.889 1.00 0.00 C ATOM 278 O TYR A 17 14.416 6.202 1.283 1.00 0.00 O ATOM 279 CB TYR A 17 12.987 3.547 2.944 1.00 0.00 C ATOM 280 CG TYR A 17 13.558 2.575 3.953 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.154 2.641 5.292 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.495 1.615 3.552 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.686 1.747 6.229 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.028 0.721 4.489 1.00 0.00 C ATOM 285 CZ TYR A 17 14.624 0.788 5.827 1.00 0.00 C ATOM 286 OH TYR A 17 15.148 -0.093 6.750 1.00 0.00 O ATOM 0 H TYR A 17 12.015 5.378 4.459 1.00 0.00 H new ATOM 0 HA TYR A 17 14.701 4.788 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.906 3.621 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.171 3.188 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.432 3.382 5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 17 14.807 1.564 2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.373 1.797 7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.750 -0.020 4.179 1.00 0.00 H new ATOM 0 HH TYR A 17 14.601 -0.078 7.563 1.00 0.00 H new ATOM 296 N SER A 18 12.241 6.043 1.505 1.00 0.00 N ATOM 297 CA SER A 18 12.026 6.883 0.297 1.00 0.00 C ATOM 298 C SER A 18 12.851 8.169 0.441 1.00 0.00 C ATOM 299 O SER A 18 13.215 8.802 -0.531 1.00 0.00 O ATOM 300 CB SER A 18 10.543 7.237 0.180 1.00 0.00 C ATOM 301 OG SER A 18 9.763 6.078 0.447 1.00 0.00 O ATOM 0 H SER A 18 11.393 5.721 1.972 1.00 0.00 H new ATOM 0 HA SER A 18 12.336 6.340 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.290 8.030 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.325 7.615 -0.819 1.00 0.00 H new ATOM 0 HG SER A 18 9.243 6.215 1.266 1.00 0.00 H new ATOM 307 N GLY A 19 13.140 8.559 1.661 1.00 0.00 N ATOM 308 CA GLY A 19 13.931 9.808 1.903 1.00 0.00 C ATOM 309 C GLY A 19 15.396 9.470 2.210 1.00 0.00 C ATOM 310 O GLY A 19 16.207 10.351 2.419 1.00 0.00 O ATOM 0 H GLY A 19 12.859 8.061 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.877 10.454 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.498 10.363 2.735 1.00 0.00 H new ATOM 314 N ARG A 20 15.756 8.214 2.231 1.00 0.00 N ATOM 315 CA ARG A 20 17.178 7.853 2.514 1.00 0.00 C ATOM 316 C ARG A 20 18.074 8.519 1.473 1.00 0.00 C ATOM 317 O ARG A 20 19.137 9.023 1.780 1.00 0.00 O ATOM 318 CB ARG A 20 17.335 6.330 2.424 1.00 0.00 C ATOM 319 CG ARG A 20 18.782 5.906 2.713 1.00 0.00 C ATOM 320 CD ARG A 20 18.967 4.434 2.332 1.00 0.00 C ATOM 321 NE ARG A 20 20.109 3.863 3.101 1.00 0.00 N ATOM 322 CZ ARG A 20 19.993 3.662 4.386 1.00 0.00 C ATOM 323 NH1 ARG A 20 18.875 3.958 4.993 1.00 0.00 N ATOM 324 NH2 ARG A 20 20.992 3.165 5.063 1.00 0.00 N ATOM 0 H ARG A 20 15.131 7.425 2.065 1.00 0.00 H new ATOM 0 HA ARG A 20 17.459 8.191 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.663 5.849 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.044 5.989 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.475 6.529 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.011 6.051 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.056 3.875 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.154 4.345 1.262 1.00 0.00 H new ATOM 0 HE ARG A 20 20.980 3.630 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.094 4.346 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.783 3.802 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.865 2.933 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.900 3.008 6.067 1.00 0.00 H new ATOM 338 N GLU A 21 17.648 8.528 0.245 1.00 0.00 N ATOM 339 CA GLU A 21 18.473 9.166 -0.825 1.00 0.00 C ATOM 340 C GLU A 21 17.582 9.565 -2.005 1.00 0.00 C ATOM 341 O GLU A 21 16.455 9.128 -2.124 1.00 0.00 O ATOM 342 CB GLU A 21 19.542 8.179 -1.300 1.00 0.00 C ATOM 343 CG GLU A 21 18.917 6.795 -1.477 1.00 0.00 C ATOM 344 CD GLU A 21 19.877 5.898 -2.260 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.071 6.144 -2.198 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.404 4.979 -2.908 1.00 0.00 O ATOM 0 H GLU A 21 16.766 8.123 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 21 18.952 10.059 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.972 8.518 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.356 8.132 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.703 6.354 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.967 6.878 -2.005 1.00 0.00 H new ATOM 353 N GLY A 22 18.089 10.394 -2.882 1.00 0.00 N ATOM 354 CA GLY A 22 17.287 10.830 -4.067 1.00 0.00 C ATOM 355 C GLY A 22 16.603 12.164 -3.769 1.00 0.00 C ATOM 356 O GLY A 22 16.979 12.876 -2.859 1.00 0.00 O ATOM 0 H GLY A 22 19.028 10.790 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.934 10.930 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.540 10.074 -4.310 1.00 0.00 H new ATOM 360 N ASP A 23 15.598 12.504 -4.530 1.00 0.00 N ATOM 361 CA ASP A 23 14.881 13.791 -4.295 1.00 0.00 C ATOM 362 C ASP A 23 14.579 13.935 -2.803 1.00 0.00 C ATOM 363 O ASP A 23 15.284 14.610 -2.079 1.00 0.00 O ATOM 364 CB ASP A 23 13.569 13.792 -5.084 1.00 0.00 C ATOM 365 CG ASP A 23 12.830 15.109 -4.845 1.00 0.00 C ATOM 366 OD1 ASP A 23 13.186 16.090 -5.478 1.00 0.00 O ATOM 367 OD2 ASP A 23 11.918 15.115 -4.035 1.00 0.00 O ATOM 0 H ASP A 23 15.242 11.945 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 23 15.503 14.624 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.772 13.665 -6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.946 12.952 -4.775 1.00 0.00 H new ATOM 372 N LYS A 24 13.538 13.303 -2.336 1.00 0.00 N ATOM 373 CA LYS A 24 13.198 13.401 -0.890 1.00 0.00 C ATOM 374 C LYS A 24 12.046 12.431 -0.578 1.00 0.00 C ATOM 375 O LYS A 24 11.694 12.220 0.565 1.00 0.00 O ATOM 376 CB LYS A 24 12.796 14.862 -0.557 1.00 0.00 C ATOM 377 CG LYS A 24 13.521 15.356 0.708 1.00 0.00 C ATOM 378 CD LYS A 24 12.999 14.601 1.933 1.00 0.00 C ATOM 379 CE LYS A 24 13.718 15.102 3.186 1.00 0.00 C ATOM 380 NZ LYS A 24 15.143 14.666 3.148 1.00 0.00 N ATOM 0 H LYS A 24 12.909 12.724 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 24 14.059 13.130 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.040 15.511 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.718 14.922 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.595 15.203 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.362 16.427 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.924 14.750 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.163 13.530 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.660 16.189 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.230 14.711 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.556 14.745 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.195 13.677 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.674 15.271 2.489 1.00 0.00 H new ATOM 394 N HIS A 25 11.461 11.834 -1.587 1.00 0.00 N ATOM 395 CA HIS A 25 10.342 10.876 -1.338 1.00 0.00 C ATOM 396 C HIS A 25 10.227 9.884 -2.500 1.00 0.00 C ATOM 397 O HIS A 25 9.144 9.633 -2.991 1.00 0.00 O ATOM 398 CB HIS A 25 9.012 11.636 -1.194 1.00 0.00 C ATOM 399 CG HIS A 25 9.216 12.931 -0.451 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.363 12.984 0.930 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.258 14.234 -0.882 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.483 14.280 1.275 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.425 15.079 0.209 1.00 0.00 N ATOM 0 H HIS A 25 11.709 11.968 -2.567 1.00 0.00 H new ATOM 0 HA HIS A 25 10.553 10.335 -0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.595 11.839 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.289 11.016 -0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.174 14.553 -1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.610 14.629 2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.490 16.097 0.197 1.00 0.00 H new ATOM 411 N LYS A 26 11.320 9.308 -2.942 1.00 0.00 N ATOM 412 CA LYS A 26 11.264 8.320 -4.067 1.00 0.00 C ATOM 413 C LYS A 26 11.968 7.040 -3.621 1.00 0.00 C ATOM 414 O LYS A 26 12.923 7.077 -2.870 1.00 0.00 O ATOM 415 CB LYS A 26 11.988 8.903 -5.287 1.00 0.00 C ATOM 416 CG LYS A 26 11.669 8.067 -6.543 1.00 0.00 C ATOM 417 CD LYS A 26 10.355 8.548 -7.193 1.00 0.00 C ATOM 418 CE LYS A 26 10.635 9.715 -8.146 1.00 0.00 C ATOM 419 NZ LYS A 26 9.345 10.269 -8.647 1.00 0.00 N ATOM 0 H LYS A 26 12.254 9.481 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 26 10.229 8.105 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.681 9.937 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.064 8.913 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.487 8.149 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.585 7.014 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.888 7.727 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.651 8.859 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.201 10.491 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.247 9.377 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.535 11.061 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.822 9.526 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.777 10.607 -7.844 1.00 0.00 H new ATOM 433 N LEU A 27 11.489 5.902 -4.052 1.00 0.00 N ATOM 434 CA LEU A 27 12.111 4.609 -3.624 1.00 0.00 C ATOM 435 C LEU A 27 13.127 4.120 -4.673 1.00 0.00 C ATOM 436 O LEU A 27 12.811 3.925 -5.831 1.00 0.00 O ATOM 437 CB LEU A 27 10.975 3.574 -3.445 1.00 0.00 C ATOM 438 CG LEU A 27 11.305 2.469 -2.412 1.00 0.00 C ATOM 439 CD1 LEU A 27 12.370 1.515 -2.954 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.735 3.069 -1.060 1.00 0.00 C ATOM 0 H LEU A 27 10.693 5.810 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 27 12.650 4.744 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.068 4.092 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.763 3.109 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 27 10.394 1.896 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.584 0.748 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.005 1.043 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.281 2.073 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.959 2.264 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.623 3.685 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.928 3.683 -0.661 1.00 0.00 H new ATOM 452 N LYS A 28 14.344 3.880 -4.234 1.00 0.00 N ATOM 453 CA LYS A 28 15.417 3.352 -5.139 1.00 0.00 C ATOM 454 C LYS A 28 15.745 1.915 -4.717 1.00 0.00 C ATOM 455 O LYS A 28 15.512 1.525 -3.594 1.00 0.00 O ATOM 456 CB LYS A 28 16.674 4.213 -5.022 1.00 0.00 C ATOM 457 CG LYS A 28 16.302 5.678 -5.244 1.00 0.00 C ATOM 458 CD LYS A 28 17.574 6.529 -5.346 1.00 0.00 C ATOM 459 CE LYS A 28 17.224 7.926 -5.883 1.00 0.00 C ATOM 460 NZ LYS A 28 17.291 7.917 -7.372 1.00 0.00 N ATOM 0 H LYS A 28 14.642 4.031 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 28 15.070 3.376 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.126 4.085 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.415 3.898 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.712 5.779 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.681 6.033 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.046 6.613 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.294 6.045 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.225 8.214 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.917 8.666 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.054 8.862 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.252 7.660 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.613 7.222 -7.746 1.00 0.00 H new ATOM 474 N LYS A 29 16.273 1.119 -5.604 1.00 0.00 N ATOM 475 CA LYS A 29 16.595 -0.293 -5.237 1.00 0.00 C ATOM 476 C LYS A 29 17.328 -0.342 -3.885 1.00 0.00 C ATOM 477 O LYS A 29 16.997 -1.128 -3.019 1.00 0.00 O ATOM 478 CB LYS A 29 17.476 -0.912 -6.329 1.00 0.00 C ATOM 479 CG LYS A 29 17.610 -2.428 -6.104 1.00 0.00 C ATOM 480 CD LYS A 29 18.026 -3.108 -7.412 1.00 0.00 C ATOM 481 CE LYS A 29 19.289 -2.439 -7.958 1.00 0.00 C ATOM 482 NZ LYS A 29 20.278 -2.273 -6.857 1.00 0.00 N ATOM 0 H LYS A 29 16.496 1.381 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 29 15.668 -0.859 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.042 -0.719 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.462 -0.447 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.350 -2.627 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.663 -2.839 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.209 -4.169 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.220 -3.038 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.717 -3.044 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.042 -1.469 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.240 -2.281 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.109 -1.368 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.176 -3.054 -6.178 1.00 0.00 H new ATOM 496 N SER A 30 18.326 0.482 -3.707 1.00 0.00 N ATOM 497 CA SER A 30 19.095 0.480 -2.421 1.00 0.00 C ATOM 498 C SER A 30 18.142 0.462 -1.217 1.00 0.00 C ATOM 499 O SER A 30 18.542 0.193 -0.101 1.00 0.00 O ATOM 500 CB SER A 30 19.968 1.735 -2.350 1.00 0.00 C ATOM 501 OG SER A 30 20.864 1.748 -3.454 1.00 0.00 O ATOM 0 H SER A 30 18.646 1.161 -4.398 1.00 0.00 H new ATOM 0 HA SER A 30 19.717 -0.414 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.343 2.628 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.526 1.751 -1.414 1.00 0.00 H new ATOM 0 HG SER A 30 21.423 2.552 -3.412 1.00 0.00 H new ATOM 507 N GLU A 31 16.879 0.701 -1.442 1.00 0.00 N ATOM 508 CA GLU A 31 15.893 0.665 -0.324 1.00 0.00 C ATOM 509 C GLU A 31 15.153 -0.661 -0.380 1.00 0.00 C ATOM 510 O GLU A 31 14.846 -1.256 0.624 1.00 0.00 O ATOM 511 CB GLU A 31 14.932 1.833 -0.481 1.00 0.00 C ATOM 512 CG GLU A 31 15.663 3.164 -0.172 1.00 0.00 C ATOM 513 CD GLU A 31 15.163 4.276 -1.104 1.00 0.00 C ATOM 514 OE1 GLU A 31 15.688 4.383 -2.199 1.00 0.00 O ATOM 515 OE2 GLU A 31 14.264 4.996 -0.709 1.00 0.00 O ATOM 0 H GLU A 31 16.485 0.921 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 31 16.390 0.752 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.534 1.854 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.083 1.710 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.493 3.447 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.738 3.033 -0.295 1.00 0.00 H new ATOM 522 N LEU A 32 14.880 -1.137 -1.555 1.00 0.00 N ATOM 523 CA LEU A 32 14.176 -2.431 -1.691 1.00 0.00 C ATOM 524 C LEU A 32 15.016 -3.531 -1.029 1.00 0.00 C ATOM 525 O LEU A 32 14.571 -4.201 -0.120 1.00 0.00 O ATOM 526 CB LEU A 32 13.983 -2.698 -3.198 1.00 0.00 C ATOM 527 CG LEU A 32 12.579 -3.242 -3.523 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.338 -4.606 -2.841 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.492 -2.225 -3.107 1.00 0.00 C ATOM 0 H LEU A 32 15.117 -0.680 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 32 13.203 -2.414 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.149 -1.774 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.734 -3.412 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 32 12.518 -3.391 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.339 -4.965 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.079 -5.324 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.426 -4.493 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.507 -2.627 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.559 -2.039 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.642 -1.290 -3.648 1.00 0.00 H new ATOM 541 N LYS A 33 16.226 -3.714 -1.473 1.00 0.00 N ATOM 542 CA LYS A 33 17.089 -4.758 -0.871 1.00 0.00 C ATOM 543 C LYS A 33 17.418 -4.382 0.580 1.00 0.00 C ATOM 544 O LYS A 33 17.556 -5.236 1.434 1.00 0.00 O ATOM 545 CB LYS A 33 18.368 -4.834 -1.703 1.00 0.00 C ATOM 546 CG LYS A 33 19.055 -6.192 -1.523 1.00 0.00 C ATOM 547 CD LYS A 33 20.463 -6.128 -2.138 1.00 0.00 C ATOM 548 CE LYS A 33 21.475 -5.636 -1.095 1.00 0.00 C ATOM 549 NZ LYS A 33 21.837 -6.762 -0.186 1.00 0.00 N ATOM 0 H LYS A 33 16.654 -3.182 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 33 16.585 -5.724 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.132 -4.677 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.048 -4.035 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.118 -6.444 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.470 -6.976 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.754 -7.114 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.462 -5.459 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.367 -5.253 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.051 -4.812 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.107 -6.384 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.021 -7.397 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.636 -7.291 -0.590 1.00 0.00 H new ATOM 563 N GLU A 34 17.563 -3.114 0.860 1.00 0.00 N ATOM 564 CA GLU A 34 17.904 -2.705 2.259 1.00 0.00 C ATOM 565 C GLU A 34 16.655 -2.751 3.139 1.00 0.00 C ATOM 566 O GLU A 34 16.718 -3.077 4.308 1.00 0.00 O ATOM 567 CB GLU A 34 18.484 -1.292 2.268 1.00 0.00 C ATOM 568 CG GLU A 34 18.952 -0.944 3.683 1.00 0.00 C ATOM 569 CD GLU A 34 19.655 0.414 3.670 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.174 0.782 2.627 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.665 1.064 4.702 1.00 0.00 O ATOM 0 H GLU A 34 17.462 -2.350 0.192 1.00 0.00 H new ATOM 0 HA GLU A 34 18.646 -3.399 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.319 -1.225 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.732 -0.576 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.100 -0.918 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.631 -1.713 4.052 1.00 0.00 H new ATOM 578 N LEU A 35 15.522 -2.429 2.590 1.00 0.00 N ATOM 579 CA LEU A 35 14.267 -2.455 3.390 1.00 0.00 C ATOM 580 C LEU A 35 13.889 -3.909 3.676 1.00 0.00 C ATOM 581 O LEU A 35 13.328 -4.224 4.708 1.00 0.00 O ATOM 582 CB LEU A 35 13.151 -1.766 2.589 1.00 0.00 C ATOM 583 CG LEU A 35 11.828 -1.780 3.370 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.939 -0.896 4.620 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.716 -1.246 2.462 1.00 0.00 C ATOM 0 H LEU A 35 15.408 -2.147 1.616 1.00 0.00 H new ATOM 0 HA LEU A 35 14.408 -1.930 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.437 -0.738 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.019 -2.272 1.632 1.00 0.00 H new ATOM 0 HG LEU A 35 11.602 -2.799 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.995 -0.915 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.735 -1.272 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.166 0.128 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.770 -1.250 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.954 -0.227 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.631 -1.880 1.579 1.00 0.00 H new ATOM 597 N ILE A 36 14.189 -4.794 2.769 1.00 0.00 N ATOM 598 CA ILE A 36 13.845 -6.227 2.981 1.00 0.00 C ATOM 599 C ILE A 36 14.815 -6.846 3.997 1.00 0.00 C ATOM 600 O ILE A 36 14.442 -7.683 4.795 1.00 0.00 O ATOM 601 CB ILE A 36 13.943 -6.969 1.640 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.794 -6.524 0.732 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.850 -8.481 1.862 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.018 -7.061 -0.683 1.00 0.00 C ATOM 0 H ILE A 36 14.659 -4.587 1.888 1.00 0.00 H new ATOM 0 HA ILE A 36 12.830 -6.310 3.369 1.00 0.00 H new ATOM 0 HB ILE A 36 14.901 -6.735 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.845 -6.890 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.733 -5.436 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.921 -8.995 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.666 -8.805 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.897 -8.722 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.198 -6.743 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.959 -6.674 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.057 -8.150 -0.657 1.00 0.00 H new ATOM 616 N ASN A 37 16.056 -6.445 3.965 1.00 0.00 N ATOM 617 CA ASN A 37 17.058 -7.010 4.918 1.00 0.00 C ATOM 618 C ASN A 37 16.977 -6.305 6.277 1.00 0.00 C ATOM 619 O ASN A 37 17.420 -6.829 7.280 1.00 0.00 O ATOM 620 CB ASN A 37 18.460 -6.831 4.335 1.00 0.00 C ATOM 621 CG ASN A 37 18.512 -7.441 2.933 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.484 -8.113 2.490 1.00 0.00 O flip ATOM 623 ND2 ASN A 37 19.496 -7.307 2.234 1.00 0.00 N flip ATOM 0 H ASN A 37 16.423 -5.747 3.318 1.00 0.00 H new ATOM 0 HA ASN A 37 16.844 -8.069 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.715 -5.772 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.197 -7.310 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.299 -6.782 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.519 -7.719 1.301 1.00 0.00 H new ATOM 630 N ASN A 38 16.469 -5.098 6.313 1.00 0.00 N ATOM 631 CA ASN A 38 16.414 -4.346 7.611 1.00 0.00 C ATOM 632 C ASN A 38 15.043 -4.477 8.290 1.00 0.00 C ATOM 633 O ASN A 38 14.966 -4.677 9.487 1.00 0.00 O ATOM 634 CB ASN A 38 16.693 -2.866 7.340 1.00 0.00 C ATOM 635 CG ASN A 38 18.116 -2.705 6.800 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.520 -3.415 5.900 1.00 0.00 O ATOM 637 ND2 ASN A 38 18.898 -1.797 7.314 1.00 0.00 N ATOM 0 H ASN A 38 16.091 -4.601 5.506 1.00 0.00 H new ATOM 0 HA ASN A 38 17.164 -4.770 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.973 -2.475 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.573 -2.289 8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.848 -1.683 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.560 -1.201 8.069 1.00 0.00 H new ATOM 644 N GLU A 39 13.965 -4.352 7.556 1.00 0.00 N ATOM 645 CA GLU A 39 12.605 -4.452 8.190 1.00 0.00 C ATOM 646 C GLU A 39 11.975 -5.812 7.889 1.00 0.00 C ATOM 647 O GLU A 39 11.725 -6.597 8.781 1.00 0.00 O ATOM 648 CB GLU A 39 11.707 -3.341 7.634 1.00 0.00 C ATOM 649 CG GLU A 39 12.238 -1.976 8.082 1.00 0.00 C ATOM 650 CD GLU A 39 12.080 -1.833 9.598 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.984 -1.520 10.032 1.00 0.00 O ATOM 652 OE2 GLU A 39 13.058 -2.039 10.298 1.00 0.00 O ATOM 0 H GLU A 39 13.963 -4.186 6.550 1.00 0.00 H new ATOM 0 HA GLU A 39 12.708 -4.344 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.680 -3.392 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.684 -3.477 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.287 -1.874 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.695 -1.179 7.573 1.00 0.00 H new ATOM 659 N LEU A 40 11.705 -6.098 6.648 1.00 0.00 N ATOM 660 CA LEU A 40 11.079 -7.408 6.312 1.00 0.00 C ATOM 661 C LEU A 40 12.139 -8.513 6.370 1.00 0.00 C ATOM 662 O LEU A 40 12.123 -9.434 5.577 1.00 0.00 O ATOM 663 CB LEU A 40 10.453 -7.351 4.902 1.00 0.00 C ATOM 664 CG LEU A 40 10.036 -5.913 4.558 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.312 -5.916 3.208 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.103 -5.348 5.653 1.00 0.00 C ATOM 0 H LEU A 40 11.889 -5.485 5.854 1.00 0.00 H new ATOM 0 HA LEU A 40 10.293 -7.625 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.169 -7.715 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.585 -8.009 4.856 1.00 0.00 H new ATOM 0 HG LEU A 40 10.923 -5.282 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.011 -4.899 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.981 -6.300 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.428 -6.551 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.816 -4.328 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.210 -5.969 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.624 -5.347 6.610 1.00 0.00 H new ATOM 678 N SER A 41 13.059 -8.440 7.297 1.00 0.00 N ATOM 679 CA SER A 41 14.111 -9.495 7.396 1.00 0.00 C ATOM 680 C SER A 41 13.647 -10.592 8.363 1.00 0.00 C ATOM 681 O SER A 41 14.116 -11.712 8.317 1.00 0.00 O ATOM 682 CB SER A 41 15.405 -8.850 7.908 1.00 0.00 C ATOM 683 OG SER A 41 16.514 -9.421 7.228 1.00 0.00 O ATOM 0 H SER A 41 13.127 -7.695 7.990 1.00 0.00 H new ATOM 0 HA SER A 41 14.289 -9.944 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.378 -7.773 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.503 -9.006 8.982 1.00 0.00 H new ATOM 0 HG SER A 41 17.199 -8.735 7.086 1.00 0.00 H new ATOM 689 N HIS A 42 12.727 -10.277 9.238 1.00 0.00 N ATOM 690 CA HIS A 42 12.229 -11.298 10.208 1.00 0.00 C ATOM 691 C HIS A 42 11.016 -12.006 9.604 1.00 0.00 C ATOM 692 O HIS A 42 10.681 -13.113 9.977 1.00 0.00 O ATOM 693 CB HIS A 42 11.827 -10.602 11.514 1.00 0.00 C ATOM 694 CG HIS A 42 12.846 -9.550 11.855 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.492 -8.234 12.119 1.00 0.00 N ATOM 696 CD2 HIS A 42 14.214 -9.602 11.977 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.624 -7.554 12.383 1.00 0.00 C ATOM 698 NE2 HIS A 42 14.698 -8.341 12.309 1.00 0.00 N ATOM 0 H HIS A 42 12.298 -9.355 9.323 1.00 0.00 H new ATOM 0 HA HIS A 42 13.011 -12.028 10.417 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.841 -10.148 11.409 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.757 -11.331 12.321 1.00 0.00 H new ATOM 0 HD2 HIS A 42 14.819 -10.485 11.837 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.658 -6.502 12.625 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.670 -8.074 12.463 1.00 0.00 H new ATOM 707 N PHE A 43 10.359 -11.371 8.666 1.00 0.00 N ATOM 708 CA PHE A 43 9.163 -11.988 8.012 1.00 0.00 C ATOM 709 C PHE A 43 9.586 -12.501 6.630 1.00 0.00 C ATOM 710 O PHE A 43 9.335 -13.636 6.274 1.00 0.00 O ATOM 711 CB PHE A 43 8.052 -10.913 7.879 1.00 0.00 C ATOM 712 CG PHE A 43 6.742 -11.423 8.446 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.461 -11.261 9.808 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.814 -12.055 7.611 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.253 -11.731 10.334 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.605 -12.525 8.137 1.00 0.00 C ATOM 717 CZ PHE A 43 4.324 -12.363 9.499 1.00 0.00 C ATOM 0 H PHE A 43 10.602 -10.442 8.322 1.00 0.00 H new ATOM 0 HA PHE A 43 8.776 -12.818 8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.352 -10.006 8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.921 -10.646 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.177 -10.773 10.453 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.031 -12.180 6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.037 -11.606 11.385 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.889 -13.013 7.492 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.391 -12.725 9.905 1.00 0.00 H new ATOM 727 N LEU A 44 10.242 -11.670 5.858 1.00 0.00 N ATOM 728 CA LEU A 44 10.707 -12.093 4.500 1.00 0.00 C ATOM 729 C LEU A 44 12.210 -12.389 4.573 1.00 0.00 C ATOM 730 O LEU A 44 12.985 -11.592 5.064 1.00 0.00 O ATOM 731 CB LEU A 44 10.443 -10.952 3.487 1.00 0.00 C ATOM 732 CG LEU A 44 9.138 -11.204 2.715 1.00 0.00 C ATOM 733 CD1 LEU A 44 7.944 -11.103 3.666 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.996 -10.155 1.609 1.00 0.00 C ATOM 0 H LEU A 44 10.477 -10.710 6.112 1.00 0.00 H new ATOM 0 HA LEU A 44 10.169 -12.984 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.383 -9.999 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.277 -10.879 2.788 1.00 0.00 H new ATOM 0 HG LEU A 44 9.164 -12.202 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.022 -11.283 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.044 -11.847 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.914 -10.107 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.072 -10.330 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.972 -9.160 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.844 -10.228 0.927 1.00 0.00 H new ATOM 746 N GLU A 45 12.629 -13.522 4.082 1.00 0.00 N ATOM 747 CA GLU A 45 14.080 -13.853 4.122 1.00 0.00 C ATOM 748 C GLU A 45 14.870 -12.689 3.520 1.00 0.00 C ATOM 749 O GLU A 45 14.452 -12.077 2.559 1.00 0.00 O ATOM 750 CB GLU A 45 14.340 -15.126 3.312 1.00 0.00 C ATOM 751 CG GLU A 45 13.594 -16.300 3.950 1.00 0.00 C ATOM 752 CD GLU A 45 14.070 -17.610 3.322 1.00 0.00 C ATOM 753 OE1 GLU A 45 13.899 -17.767 2.124 1.00 0.00 O ATOM 754 OE2 GLU A 45 14.599 -18.435 4.050 1.00 0.00 O ATOM 0 H GLU A 45 12.032 -14.231 3.656 1.00 0.00 H new ATOM 0 HA GLU A 45 14.393 -14.018 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.010 -14.988 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.409 -15.336 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.770 -16.315 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.520 -16.184 3.805 1.00 0.00 H new ATOM 761 N GLU A 46 16.008 -12.378 4.077 1.00 0.00 N ATOM 762 CA GLU A 46 16.814 -11.250 3.532 1.00 0.00 C ATOM 763 C GLU A 46 17.403 -11.657 2.178 1.00 0.00 C ATOM 764 O GLU A 46 18.347 -12.417 2.105 1.00 0.00 O ATOM 765 CB GLU A 46 17.946 -10.910 4.514 1.00 0.00 C ATOM 766 CG GLU A 46 18.502 -12.198 5.134 1.00 0.00 C ATOM 767 CD GLU A 46 19.866 -11.913 5.769 1.00 0.00 C ATOM 768 OE1 GLU A 46 20.635 -11.180 5.169 1.00 0.00 O ATOM 769 OE2 GLU A 46 20.117 -12.432 6.844 1.00 0.00 O ATOM 0 H GLU A 46 16.413 -12.854 4.883 1.00 0.00 H new ATOM 0 HA GLU A 46 16.180 -10.373 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.740 -10.373 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.574 -10.250 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.812 -12.579 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.599 -12.969 4.370 1.00 0.00 H new ATOM 776 N ILE A 47 16.856 -11.160 1.102 1.00 0.00 N ATOM 777 CA ILE A 47 17.402 -11.531 -0.232 1.00 0.00 C ATOM 778 C ILE A 47 18.884 -11.154 -0.289 1.00 0.00 C ATOM 779 O ILE A 47 19.288 -10.108 0.177 1.00 0.00 O ATOM 780 CB ILE A 47 16.640 -10.799 -1.348 1.00 0.00 C ATOM 781 CG1 ILE A 47 16.697 -9.285 -1.126 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.177 -11.246 -1.357 1.00 0.00 C ATOM 783 CD1 ILE A 47 15.971 -8.579 -2.276 1.00 0.00 C ATOM 0 H ILE A 47 16.062 -10.519 1.089 1.00 0.00 H new ATOM 0 HA ILE A 47 17.285 -12.605 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 47 17.107 -11.042 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.232 -9.027 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.734 -8.952 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.642 -10.724 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.126 -12.321 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.719 -11.012 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.009 -7.501 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.456 -8.828 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.931 -8.905 -2.305 1.00 0.00 H new ATOM 795 N LYS A 48 19.698 -12.003 -0.861 1.00 0.00 N ATOM 796 CA LYS A 48 21.161 -11.706 -0.967 1.00 0.00 C ATOM 797 C LYS A 48 21.467 -11.310 -2.409 1.00 0.00 C ATOM 798 O LYS A 48 22.488 -10.719 -2.702 1.00 0.00 O ATOM 799 CB LYS A 48 21.962 -12.958 -0.600 1.00 0.00 C ATOM 800 CG LYS A 48 21.739 -13.297 0.875 1.00 0.00 C ATOM 801 CD LYS A 48 22.515 -14.567 1.231 1.00 0.00 C ATOM 802 CE LYS A 48 22.318 -14.889 2.713 1.00 0.00 C ATOM 803 NZ LYS A 48 20.933 -15.392 2.932 1.00 0.00 N ATOM 0 H LYS A 48 19.411 -12.896 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 48 21.432 -10.897 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.654 -13.795 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.023 -12.792 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.068 -12.469 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.676 -13.441 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.170 -15.400 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.575 -14.430 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.043 -15.637 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.492 -13.998 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.863 -15.815 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.261 -14.602 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.707 -16.110 2.215 1.00 0.00 H new ATOM 817 N GLU A 49 20.575 -11.639 -3.308 1.00 0.00 N ATOM 818 CA GLU A 49 20.766 -11.301 -4.752 1.00 0.00 C ATOM 819 C GLU A 49 19.634 -10.376 -5.198 1.00 0.00 C ATOM 820 O GLU A 49 18.490 -10.555 -4.831 1.00 0.00 O ATOM 821 CB GLU A 49 20.733 -12.585 -5.585 1.00 0.00 C ATOM 822 CG GLU A 49 22.021 -13.377 -5.351 1.00 0.00 C ATOM 823 CD GLU A 49 21.897 -14.757 -5.999 1.00 0.00 C ATOM 824 OE1 GLU A 49 20.786 -15.137 -6.327 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.916 -15.410 -6.156 1.00 0.00 O ATOM 0 H GLU A 49 19.709 -12.135 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 49 21.726 -10.805 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.868 -13.188 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.629 -12.343 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.872 -12.841 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.207 -13.481 -4.282 1.00 0.00 H new ATOM 832 N GLN A 50 19.946 -9.383 -5.980 1.00 0.00 N ATOM 833 CA GLN A 50 18.893 -8.440 -6.444 1.00 0.00 C ATOM 834 C GLN A 50 18.054 -9.096 -7.545 1.00 0.00 C ATOM 835 O GLN A 50 16.964 -8.655 -7.848 1.00 0.00 O ATOM 836 CB GLN A 50 19.565 -7.174 -6.990 1.00 0.00 C ATOM 837 CG GLN A 50 20.812 -7.561 -7.791 1.00 0.00 C ATOM 838 CD GLN A 50 21.265 -6.373 -8.641 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.342 -5.845 -8.444 1.00 0.00 O ATOM 840 NE2 GLN A 50 20.483 -5.927 -9.585 1.00 0.00 N ATOM 0 H GLN A 50 20.887 -9.183 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 50 18.240 -8.181 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 50 18.869 -6.625 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.839 -6.512 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.612 -7.863 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.595 -8.417 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.579 -6.370 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.775 -5.135 -10.158 1.00 0.00 H new ATOM 849 N GLU A 51 18.560 -10.129 -8.164 1.00 0.00 N ATOM 850 CA GLU A 51 17.807 -10.794 -9.265 1.00 0.00 C ATOM 851 C GLU A 51 16.330 -10.932 -8.920 1.00 0.00 C ATOM 852 O GLU A 51 15.471 -10.722 -9.752 1.00 0.00 O ATOM 853 CB GLU A 51 18.404 -12.177 -9.535 1.00 0.00 C ATOM 854 CG GLU A 51 17.887 -12.704 -10.875 1.00 0.00 C ATOM 855 CD GLU A 51 18.572 -14.033 -11.199 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.217 -14.576 -10.317 1.00 0.00 O ATOM 857 OE2 GLU A 51 18.440 -14.486 -12.324 1.00 0.00 O ATOM 0 H GLU A 51 19.468 -10.543 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 51 17.891 -10.174 -10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.492 -12.118 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.134 -12.864 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.806 -12.841 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.085 -11.979 -11.664 1.00 0.00 H new ATOM 864 N VAL A 52 16.010 -11.263 -7.708 1.00 0.00 N ATOM 865 CA VAL A 52 14.571 -11.378 -7.355 1.00 0.00 C ATOM 866 C VAL A 52 14.009 -9.981 -7.221 1.00 0.00 C ATOM 867 O VAL A 52 12.891 -9.707 -7.611 1.00 0.00 O ATOM 868 CB VAL A 52 14.400 -12.152 -6.045 1.00 0.00 C ATOM 869 CG1 VAL A 52 14.828 -13.605 -6.254 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.265 -11.520 -4.951 1.00 0.00 C ATOM 0 H VAL A 52 16.669 -11.457 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 52 14.037 -11.924 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 52 13.354 -12.117 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.707 -14.158 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.209 -14.059 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.873 -13.636 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.139 -12.075 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.312 -11.550 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.961 -10.484 -4.799 1.00 0.00 H new ATOM 880 N VAL A 53 14.781 -9.081 -6.700 1.00 0.00 N ATOM 881 CA VAL A 53 14.291 -7.692 -6.576 1.00 0.00 C ATOM 882 C VAL A 53 14.184 -7.144 -7.996 1.00 0.00 C ATOM 883 O VAL A 53 13.419 -6.246 -8.278 1.00 0.00 O ATOM 884 CB VAL A 53 15.261 -6.876 -5.670 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.129 -5.903 -6.482 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.470 -6.071 -4.634 1.00 0.00 C ATOM 0 H VAL A 53 15.727 -9.246 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 53 13.314 -7.629 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 53 15.913 -7.597 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.789 -5.356 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.727 -6.462 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.488 -5.199 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.160 -5.506 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.797 -5.383 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.889 -6.751 -4.011 1.00 0.00 H new ATOM 896 N ASP A 54 14.932 -7.714 -8.901 1.00 0.00 N ATOM 897 CA ASP A 54 14.848 -7.258 -10.312 1.00 0.00 C ATOM 898 C ASP A 54 13.562 -7.832 -10.890 1.00 0.00 C ATOM 899 O ASP A 54 12.905 -7.228 -11.715 1.00 0.00 O ATOM 900 CB ASP A 54 16.051 -7.773 -11.108 1.00 0.00 C ATOM 901 CG ASP A 54 17.313 -7.031 -10.667 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.338 -6.558 -9.543 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.235 -6.948 -11.463 1.00 0.00 O ATOM 0 H ASP A 54 15.593 -8.471 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 54 14.851 -6.169 -10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.173 -8.845 -10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.884 -7.625 -12.175 1.00 0.00 H new ATOM 908 N LYS A 55 13.191 -9.002 -10.438 1.00 0.00 N ATOM 909 CA LYS A 55 11.937 -9.637 -10.929 1.00 0.00 C ATOM 910 C LYS A 55 10.749 -9.049 -10.159 1.00 0.00 C ATOM 911 O LYS A 55 9.729 -8.727 -10.732 1.00 0.00 O ATOM 912 CB LYS A 55 12.013 -11.157 -10.712 1.00 0.00 C ATOM 913 CG LYS A 55 10.616 -11.809 -10.885 1.00 0.00 C ATOM 914 CD LYS A 55 9.955 -12.039 -9.511 1.00 0.00 C ATOM 915 CE LYS A 55 8.434 -12.134 -9.670 1.00 0.00 C ATOM 916 NZ LYS A 55 7.850 -12.805 -8.475 1.00 0.00 N ATOM 0 H LYS A 55 13.707 -9.546 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 55 11.809 -9.442 -11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.714 -11.596 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.396 -11.368 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.982 -11.168 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.714 -12.758 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.340 -12.955 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.208 -11.222 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.007 -11.138 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.186 -12.694 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.818 -12.869 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.249 -13.761 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.075 -12.253 -7.623 1.00 0.00 H new ATOM 930 N VAL A 56 10.868 -8.896 -8.865 1.00 0.00 N ATOM 931 CA VAL A 56 9.736 -8.317 -8.087 1.00 0.00 C ATOM 932 C VAL A 56 9.395 -6.947 -8.679 1.00 0.00 C ATOM 933 O VAL A 56 8.244 -6.581 -8.811 1.00 0.00 O ATOM 934 CB VAL A 56 10.136 -8.214 -6.589 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.750 -6.845 -6.260 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.901 -8.423 -5.704 1.00 0.00 C ATOM 0 H VAL A 56 11.693 -9.145 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 56 8.853 -8.954 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 56 10.880 -8.987 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.017 -6.810 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.643 -6.692 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.026 -6.060 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.188 -8.350 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.157 -7.659 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.478 -9.409 -5.896 1.00 0.00 H new ATOM 946 N MET A 57 10.394 -6.194 -9.044 1.00 0.00 N ATOM 947 CA MET A 57 10.137 -4.854 -9.635 1.00 0.00 C ATOM 948 C MET A 57 9.404 -5.023 -10.968 1.00 0.00 C ATOM 949 O MET A 57 8.549 -4.236 -11.321 1.00 0.00 O ATOM 950 CB MET A 57 11.471 -4.136 -9.871 1.00 0.00 C ATOM 951 CG MET A 57 11.970 -3.531 -8.559 1.00 0.00 C ATOM 952 SD MET A 57 13.498 -2.611 -8.869 1.00 0.00 S ATOM 953 CE MET A 57 13.200 -1.274 -7.690 1.00 0.00 C ATOM 0 H MET A 57 11.378 -6.450 -8.958 1.00 0.00 H new ATOM 0 HA MET A 57 9.524 -4.264 -8.954 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.208 -4.837 -10.263 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.346 -3.353 -10.619 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.212 -2.870 -8.139 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.148 -4.318 -7.826 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.093 -0.654 -7.610 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.365 -0.665 -8.035 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.963 -1.696 -6.714 1.00 0.00 H new ATOM 963 N GLU A 58 9.728 -6.046 -11.708 1.00 0.00 N ATOM 964 CA GLU A 58 9.044 -6.262 -13.014 1.00 0.00 C ATOM 965 C GLU A 58 7.562 -6.504 -12.763 1.00 0.00 C ATOM 966 O GLU A 58 6.720 -6.194 -13.582 1.00 0.00 O ATOM 967 CB GLU A 58 9.651 -7.477 -13.724 1.00 0.00 C ATOM 968 CG GLU A 58 11.015 -7.103 -14.304 1.00 0.00 C ATOM 969 CD GLU A 58 10.822 -6.256 -15.565 1.00 0.00 C ATOM 970 OE1 GLU A 58 9.931 -6.571 -16.335 1.00 0.00 O ATOM 971 OE2 GLU A 58 11.569 -5.307 -15.736 1.00 0.00 O ATOM 0 H GLU A 58 10.435 -6.740 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 58 9.173 -5.382 -13.644 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.757 -8.305 -13.023 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.987 -7.816 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.595 -6.549 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.580 -8.004 -14.542 1.00 0.00 H new ATOM 978 N THR A 59 7.238 -7.056 -11.629 1.00 0.00 N ATOM 979 CA THR A 59 5.808 -7.320 -11.309 1.00 0.00 C ATOM 980 C THR A 59 5.193 -6.089 -10.644 1.00 0.00 C ATOM 981 O THR A 59 4.014 -5.827 -10.781 1.00 0.00 O ATOM 982 CB THR A 59 5.711 -8.512 -10.356 1.00 0.00 C ATOM 983 OG1 THR A 59 6.360 -9.635 -10.936 1.00 0.00 O ATOM 984 CG2 THR A 59 4.239 -8.842 -10.108 1.00 0.00 C ATOM 0 H THR A 59 7.903 -7.337 -10.908 1.00 0.00 H new ATOM 0 HA THR A 59 5.268 -7.542 -12.230 1.00 0.00 H new ATOM 0 HB THR A 59 6.193 -8.265 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.041 -10.456 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.166 -9.691 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.742 -7.979 -9.664 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.758 -9.091 -11.054 1.00 0.00 H new ATOM 992 N LEU A 60 5.974 -5.336 -9.906 1.00 0.00 N ATOM 993 CA LEU A 60 5.411 -4.128 -9.215 1.00 0.00 C ATOM 994 C LEU A 60 5.634 -2.866 -10.058 1.00 0.00 C ATOM 995 O LEU A 60 4.742 -2.052 -10.196 1.00 0.00 O ATOM 996 CB LEU A 60 6.099 -3.955 -7.847 1.00 0.00 C ATOM 997 CG LEU A 60 5.308 -4.666 -6.739 1.00 0.00 C ATOM 998 CD1 LEU A 60 3.915 -4.015 -6.548 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.155 -6.151 -7.086 1.00 0.00 C ATOM 0 H LEU A 60 6.969 -5.502 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 60 4.339 -4.272 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.111 -4.357 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.188 -2.894 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 60 5.857 -4.569 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.375 -4.537 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.038 -2.967 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.351 -4.082 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.593 -6.653 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.622 -6.251 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.141 -6.607 -7.176 1.00 0.00 H new ATOM 1011 N ASP A 61 6.797 -2.672 -10.611 1.00 0.00 N ATOM 1012 CA ASP A 61 7.025 -1.439 -11.419 1.00 0.00 C ATOM 1013 C ASP A 61 5.983 -1.330 -12.517 1.00 0.00 C ATOM 1014 O ASP A 61 5.964 -2.095 -13.462 1.00 0.00 O ATOM 1015 CB ASP A 61 8.417 -1.474 -12.037 1.00 0.00 C ATOM 1016 CG ASP A 61 9.461 -1.570 -10.925 1.00 0.00 C ATOM 1017 OD1 ASP A 61 9.156 -2.161 -9.903 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.545 -1.045 -11.113 1.00 0.00 O ATOM 0 H ASP A 61 7.594 -3.305 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 61 6.942 -0.572 -10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.507 -2.326 -12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.585 -0.577 -12.633 1.00 0.00 H new ATOM 1023 N GLU A 62 5.119 -0.366 -12.396 1.00 0.00 N ATOM 1024 CA GLU A 62 4.066 -0.169 -13.426 1.00 0.00 C ATOM 1025 C GLU A 62 4.661 0.652 -14.555 1.00 0.00 C ATOM 1026 O GLU A 62 4.468 0.366 -15.721 1.00 0.00 O ATOM 1027 CB GLU A 62 2.870 0.569 -12.812 1.00 0.00 C ATOM 1028 CG GLU A 62 1.833 0.894 -13.900 1.00 0.00 C ATOM 1029 CD GLU A 62 2.238 2.167 -14.649 1.00 0.00 C ATOM 1030 OE1 GLU A 62 2.634 3.117 -13.993 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.146 2.169 -15.866 1.00 0.00 O ATOM 0 H GLU A 62 5.096 0.299 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 62 3.719 -1.131 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.414 -0.045 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.207 1.489 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.754 0.061 -14.599 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.850 1.026 -13.449 1.00 0.00 H new ATOM 1038 N ASP A 63 5.409 1.659 -14.217 1.00 0.00 N ATOM 1039 CA ASP A 63 6.048 2.488 -15.264 1.00 0.00 C ATOM 1040 C ASP A 63 7.332 1.787 -15.696 1.00 0.00 C ATOM 1041 O ASP A 63 8.040 2.250 -16.569 1.00 0.00 O ATOM 1042 CB ASP A 63 6.384 3.869 -14.695 1.00 0.00 C ATOM 1043 CG ASP A 63 7.043 3.710 -13.323 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.290 2.581 -12.931 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.290 4.722 -12.686 1.00 0.00 O ATOM 0 H ASP A 63 5.605 1.943 -13.257 1.00 0.00 H new ATOM 0 HA ASP A 63 5.376 2.613 -16.113 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.053 4.400 -15.372 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.478 4.468 -14.608 1.00 0.00 H new ATOM 1050 N GLY A 64 7.650 0.672 -15.083 1.00 0.00 N ATOM 1051 CA GLY A 64 8.900 -0.038 -15.465 1.00 0.00 C ATOM 1052 C GLY A 64 10.057 0.928 -15.265 1.00 0.00 C ATOM 1053 O GLY A 64 10.936 1.052 -16.095 1.00 0.00 O ATOM 0 H GLY A 64 7.102 0.231 -14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.036 -0.930 -14.853 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.851 -0.367 -16.503 1.00 0.00 H new ATOM 1057 N ASP A 65 10.046 1.637 -14.167 1.00 0.00 N ATOM 1058 CA ASP A 65 11.130 2.631 -13.902 1.00 0.00 C ATOM 1059 C ASP A 65 12.213 2.000 -13.034 1.00 0.00 C ATOM 1060 O ASP A 65 13.225 2.611 -12.755 1.00 0.00 O ATOM 1061 CB ASP A 65 10.539 3.837 -13.171 1.00 0.00 C ATOM 1062 CG ASP A 65 9.838 3.369 -11.894 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.695 2.169 -11.726 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.455 4.218 -11.107 1.00 0.00 O ATOM 0 H ASP A 65 9.333 1.571 -13.441 1.00 0.00 H new ATOM 0 HA ASP A 65 11.567 2.947 -14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.327 4.549 -12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.831 4.356 -13.817 1.00 0.00 H new ATOM 1069 N GLY A 66 12.013 0.793 -12.589 1.00 0.00 N ATOM 1070 CA GLY A 66 13.046 0.160 -11.725 1.00 0.00 C ATOM 1071 C GLY A 66 13.008 0.850 -10.366 1.00 0.00 C ATOM 1072 O GLY A 66 13.818 0.596 -9.497 1.00 0.00 O ATOM 0 H GLY A 66 11.190 0.223 -12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.851 -0.907 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.033 0.259 -12.176 1.00 0.00 H new ATOM 1076 N GLU A 67 12.052 1.725 -10.189 1.00 0.00 N ATOM 1077 CA GLU A 67 11.898 2.461 -8.899 1.00 0.00 C ATOM 1078 C GLU A 67 10.445 2.324 -8.454 1.00 0.00 C ATOM 1079 O GLU A 67 9.591 1.950 -9.235 1.00 0.00 O ATOM 1080 CB GLU A 67 12.233 3.939 -9.112 1.00 0.00 C ATOM 1081 CG GLU A 67 13.687 4.075 -9.564 1.00 0.00 C ATOM 1082 CD GLU A 67 14.062 5.556 -9.642 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.176 6.359 -9.879 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.230 5.862 -9.464 1.00 0.00 O ATOM 0 H GLU A 67 11.359 1.965 -10.898 1.00 0.00 H new ATOM 0 HA GLU A 67 12.568 2.054 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.567 4.369 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.075 4.495 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.346 3.559 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.822 3.603 -10.537 1.00 0.00 H new ATOM 1091 N CYS A 68 10.154 2.597 -7.205 1.00 0.00 N ATOM 1092 CA CYS A 68 8.746 2.453 -6.708 1.00 0.00 C ATOM 1093 C CYS A 68 8.267 3.737 -6.024 1.00 0.00 C ATOM 1094 O CYS A 68 8.577 3.990 -4.877 1.00 0.00 O ATOM 1095 CB CYS A 68 8.683 1.289 -5.711 1.00 0.00 C ATOM 1096 SG CYS A 68 9.776 -0.041 -6.272 1.00 0.00 S ATOM 0 H CYS A 68 10.828 2.913 -6.508 1.00 0.00 H new ATOM 0 HA CYS A 68 8.095 2.258 -7.560 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.983 1.628 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.660 0.923 -5.626 1.00 0.00 H new ATOM 0 HG CYS A 68 9.256 -0.619 -7.314 1.00 0.00 H new ATOM 1102 N ASP A 69 7.529 4.557 -6.729 1.00 0.00 N ATOM 1103 CA ASP A 69 7.025 5.822 -6.119 1.00 0.00 C ATOM 1104 C ASP A 69 6.281 5.478 -4.819 1.00 0.00 C ATOM 1105 O ASP A 69 6.389 4.382 -4.313 1.00 0.00 O ATOM 1106 CB ASP A 69 6.075 6.517 -7.100 1.00 0.00 C ATOM 1107 CG ASP A 69 5.912 7.986 -6.706 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.901 8.588 -6.325 1.00 0.00 O ATOM 1109 OD2 ASP A 69 4.803 8.485 -6.795 1.00 0.00 O ATOM 0 H ASP A 69 7.255 4.404 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 69 7.856 6.492 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.467 6.444 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.105 6.020 -7.096 1.00 0.00 H new ATOM 1114 N PHE A 70 5.532 6.389 -4.258 1.00 0.00 N ATOM 1115 CA PHE A 70 4.819 6.073 -2.978 1.00 0.00 C ATOM 1116 C PHE A 70 3.575 5.202 -3.242 1.00 0.00 C ATOM 1117 O PHE A 70 3.238 4.341 -2.453 1.00 0.00 O ATOM 1118 CB PHE A 70 4.403 7.388 -2.260 1.00 0.00 C ATOM 1119 CG PHE A 70 4.731 8.597 -3.116 1.00 0.00 C ATOM 1120 CD1 PHE A 70 6.066 8.898 -3.415 1.00 0.00 C ATOM 1121 CD2 PHE A 70 3.705 9.418 -3.604 1.00 0.00 C ATOM 1122 CE1 PHE A 70 6.372 10.018 -4.200 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.012 10.536 -4.387 1.00 0.00 C ATOM 1124 CZ PHE A 70 5.346 10.835 -4.686 1.00 0.00 C ATOM 0 H PHE A 70 5.381 7.330 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 70 5.500 5.514 -2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.335 7.368 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.919 7.464 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.859 8.267 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.675 9.187 -3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.401 10.251 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.220 11.168 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.583 11.697 -5.292 1.00 0.00 H new ATOM 1134 N GLN A 71 2.879 5.430 -4.319 1.00 0.00 N ATOM 1135 CA GLN A 71 1.653 4.627 -4.597 1.00 0.00 C ATOM 1136 C GLN A 71 2.051 3.215 -5.024 1.00 0.00 C ATOM 1137 O GLN A 71 1.336 2.257 -4.788 1.00 0.00 O ATOM 1138 CB GLN A 71 0.820 5.311 -5.703 1.00 0.00 C ATOM 1139 CG GLN A 71 1.743 6.096 -6.646 1.00 0.00 C ATOM 1140 CD GLN A 71 2.065 7.465 -6.042 1.00 0.00 C ATOM 1141 OE1 GLN A 71 3.087 7.634 -5.410 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.230 8.453 -6.209 1.00 0.00 N ATOM 0 H GLN A 71 3.104 6.136 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 71 1.047 4.563 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.263 4.562 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.088 5.983 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.664 5.538 -6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.264 6.221 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.371 8.311 -6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.436 9.368 -5.808 1.00 0.00 H new ATOM 1151 N GLU A 72 3.196 3.064 -5.625 1.00 0.00 N ATOM 1152 CA GLU A 72 3.644 1.711 -6.045 1.00 0.00 C ATOM 1153 C GLU A 72 4.434 1.099 -4.891 1.00 0.00 C ATOM 1154 O GLU A 72 4.273 -0.056 -4.557 1.00 0.00 O ATOM 1155 CB GLU A 72 4.523 1.871 -7.291 1.00 0.00 C ATOM 1156 CG GLU A 72 5.003 0.504 -7.815 1.00 0.00 C ATOM 1157 CD GLU A 72 6.277 0.694 -8.641 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.276 1.555 -9.506 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.233 -0.025 -8.396 1.00 0.00 O ATOM 0 H GLU A 72 3.842 3.822 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 72 2.805 1.058 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.962 2.386 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.385 2.495 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.195 -0.171 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.226 0.043 -8.425 1.00 0.00 H new ATOM 1166 N PHE A 73 5.280 1.871 -4.270 1.00 0.00 N ATOM 1167 CA PHE A 73 6.068 1.334 -3.127 1.00 0.00 C ATOM 1168 C PHE A 73 5.113 0.688 -2.132 1.00 0.00 C ATOM 1169 O PHE A 73 5.359 -0.381 -1.621 1.00 0.00 O ATOM 1170 CB PHE A 73 6.836 2.474 -2.445 1.00 0.00 C ATOM 1171 CG PHE A 73 7.410 2.002 -1.124 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.284 0.909 -1.090 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.064 2.656 0.068 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.811 0.471 0.131 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.591 2.218 1.287 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.464 1.126 1.319 1.00 0.00 C ATOM 0 H PHE A 73 5.460 2.848 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 73 6.783 0.594 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.639 2.821 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.171 3.322 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.552 0.403 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.390 3.499 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.485 -0.372 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.324 2.723 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.871 0.788 2.261 1.00 0.00 H new ATOM 1186 N MET A 74 4.011 1.310 -1.862 1.00 0.00 N ATOM 1187 CA MET A 74 3.064 0.681 -0.920 1.00 0.00 C ATOM 1188 C MET A 74 2.631 -0.641 -1.546 1.00 0.00 C ATOM 1189 O MET A 74 2.553 -1.662 -0.893 1.00 0.00 O ATOM 1190 CB MET A 74 1.857 1.610 -0.711 1.00 0.00 C ATOM 1191 CG MET A 74 1.155 1.314 0.639 1.00 0.00 C ATOM 1192 SD MET A 74 1.553 2.612 1.847 1.00 0.00 S ATOM 1193 CE MET A 74 -0.078 2.733 2.632 1.00 0.00 C ATOM 0 H MET A 74 3.728 2.212 -2.245 1.00 0.00 H new ATOM 0 HA MET A 74 3.520 0.506 0.054 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.185 2.649 -0.734 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.149 1.481 -1.529 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.076 1.261 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.474 0.343 1.018 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.080 3.560 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.837 2.908 1.869 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.299 1.804 3.157 1.00 0.00 H new ATOM 1203 N ALA A 75 2.345 -0.614 -2.818 1.00 0.00 N ATOM 1204 CA ALA A 75 1.908 -1.869 -3.500 1.00 0.00 C ATOM 1205 C ALA A 75 2.927 -2.980 -3.231 1.00 0.00 C ATOM 1206 O ALA A 75 2.626 -4.150 -3.362 1.00 0.00 O ATOM 1207 CB ALA A 75 1.779 -1.626 -5.004 1.00 0.00 C ATOM 0 H ALA A 75 2.394 0.214 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 75 0.937 -2.173 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.460 -2.545 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.042 -0.844 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.743 -1.315 -5.406 1.00 0.00 H new ATOM 1213 N PHE A 76 4.125 -2.633 -2.840 1.00 0.00 N ATOM 1214 CA PHE A 76 5.131 -3.700 -2.553 1.00 0.00 C ATOM 1215 C PHE A 76 4.776 -4.347 -1.216 1.00 0.00 C ATOM 1216 O PHE A 76 4.578 -5.542 -1.135 1.00 0.00 O ATOM 1217 CB PHE A 76 6.552 -3.117 -2.501 1.00 0.00 C ATOM 1218 CG PHE A 76 7.519 -4.156 -1.965 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.664 -5.385 -2.620 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.266 -3.889 -0.807 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.553 -6.344 -2.120 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.155 -4.849 -0.310 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.298 -6.076 -0.966 1.00 0.00 C ATOM 0 H PHE A 76 4.448 -1.674 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 76 5.110 -4.444 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.861 -2.800 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.568 -2.231 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.090 -5.593 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.155 -2.942 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.664 -7.292 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.731 -4.642 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.984 -6.817 -0.582 1.00 0.00 H new ATOM 1233 N VAL A 77 4.661 -3.574 -0.168 1.00 0.00 N ATOM 1234 CA VAL A 77 4.287 -4.177 1.142 1.00 0.00 C ATOM 1235 C VAL A 77 2.977 -4.942 0.956 1.00 0.00 C ATOM 1236 O VAL A 77 2.730 -5.951 1.578 1.00 0.00 O ATOM 1237 CB VAL A 77 4.089 -3.075 2.192 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.443 -3.672 3.445 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.442 -2.471 2.568 1.00 0.00 C ATOM 0 H VAL A 77 4.808 -2.565 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 77 5.077 -4.846 1.483 1.00 0.00 H new ATOM 0 HB VAL A 77 3.445 -2.299 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.303 -2.889 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.476 -4.103 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.090 -4.449 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.297 -1.689 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.086 -3.249 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.909 -2.044 1.681 1.00 0.00 H new ATOM 1249 N SER A 78 2.147 -4.470 0.085 1.00 0.00 N ATOM 1250 CA SER A 78 0.861 -5.158 -0.172 1.00 0.00 C ATOM 1251 C SER A 78 1.164 -6.529 -0.756 1.00 0.00 C ATOM 1252 O SER A 78 0.444 -7.485 -0.554 1.00 0.00 O ATOM 1253 CB SER A 78 0.066 -4.342 -1.180 1.00 0.00 C ATOM 1254 OG SER A 78 -1.263 -4.842 -1.256 1.00 0.00 O ATOM 0 H SER A 78 2.304 -3.627 -0.468 1.00 0.00 H new ATOM 0 HA SER A 78 0.287 -5.263 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.054 -3.293 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.541 -4.393 -2.160 1.00 0.00 H new ATOM 0 HG SER A 78 -1.789 -4.281 -1.863 1.00 0.00 H new ATOM 1260 N MET A 79 2.238 -6.622 -1.483 1.00 0.00 N ATOM 1261 CA MET A 79 2.621 -7.918 -2.098 1.00 0.00 C ATOM 1262 C MET A 79 3.232 -8.836 -1.043 1.00 0.00 C ATOM 1263 O MET A 79 3.072 -10.039 -1.092 1.00 0.00 O ATOM 1264 CB MET A 79 3.645 -7.668 -3.209 1.00 0.00 C ATOM 1265 CG MET A 79 3.890 -8.957 -4.014 1.00 0.00 C ATOM 1266 SD MET A 79 5.579 -8.934 -4.671 1.00 0.00 S ATOM 1267 CE MET A 79 5.204 -9.553 -6.327 1.00 0.00 C ATOM 0 H MET A 79 2.873 -5.848 -1.679 1.00 0.00 H new ATOM 0 HA MET A 79 1.733 -8.394 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.287 -6.880 -3.872 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.582 -7.318 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.746 -9.831 -3.378 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.170 -9.034 -4.829 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.104 -9.516 -6.941 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.852 -10.582 -6.260 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.430 -8.934 -6.780 1.00 0.00 H new ATOM 1277 N VAL A 80 3.906 -8.286 -0.071 1.00 0.00 N ATOM 1278 CA VAL A 80 4.488 -9.141 0.992 1.00 0.00 C ATOM 1279 C VAL A 80 3.395 -9.323 2.023 1.00 0.00 C ATOM 1280 O VAL A 80 3.269 -10.362 2.641 1.00 0.00 O ATOM 1281 CB VAL A 80 5.754 -8.493 1.614 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.490 -7.677 0.553 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.394 -7.571 2.790 1.00 0.00 C ATOM 0 H VAL A 80 4.077 -7.285 0.030 1.00 0.00 H new ATOM 0 HA VAL A 80 4.816 -10.100 0.591 1.00 0.00 H new ATOM 0 HB VAL A 80 6.391 -9.296 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.378 -7.224 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.785 -8.330 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.833 -6.894 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.304 -7.134 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.736 -6.776 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.887 -8.148 3.563 1.00 0.00 H new ATOM 1293 N THR A 81 2.577 -8.317 2.200 1.00 0.00 N ATOM 1294 CA THR A 81 1.475 -8.451 3.175 1.00 0.00 C ATOM 1295 C THR A 81 0.505 -9.476 2.624 1.00 0.00 C ATOM 1296 O THR A 81 -0.051 -10.274 3.352 1.00 0.00 O ATOM 1297 CB THR A 81 0.747 -7.115 3.344 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.682 -6.095 3.658 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.279 -7.235 4.470 1.00 0.00 C ATOM 0 H THR A 81 2.630 -7.422 1.714 1.00 0.00 H new ATOM 0 HA THR A 81 1.868 -8.756 4.145 1.00 0.00 H new ATOM 0 HB THR A 81 0.239 -6.860 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.419 -6.116 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.798 -6.284 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.001 -8.014 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.229 -7.492 5.399 1.00 0.00 H new ATOM 1307 N THR A 82 0.280 -9.459 1.335 1.00 0.00 N ATOM 1308 CA THR A 82 -0.676 -10.435 0.749 1.00 0.00 C ATOM 1309 C THR A 82 -0.182 -11.858 0.994 1.00 0.00 C ATOM 1310 O THR A 82 -0.959 -12.740 1.303 1.00 0.00 O ATOM 1311 CB THR A 82 -0.799 -10.176 -0.757 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.493 -9.942 -1.295 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.693 -8.947 -1.014 1.00 0.00 C ATOM 0 H THR A 82 0.714 -8.817 0.672 1.00 0.00 H new ATOM 0 HA THR A 82 -1.652 -10.317 1.220 1.00 0.00 H new ATOM 0 HB THR A 82 -1.249 -11.046 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.161 -10.422 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.773 -8.773 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.686 -9.126 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.254 -8.071 -0.536 1.00 0.00 H new ATOM 1321 N ALA A 83 1.096 -12.105 0.876 1.00 0.00 N ATOM 1322 CA ALA A 83 1.595 -13.482 1.125 1.00 0.00 C ATOM 1323 C ALA A 83 1.264 -13.857 2.564 1.00 0.00 C ATOM 1324 O ALA A 83 0.865 -14.968 2.852 1.00 0.00 O ATOM 1325 CB ALA A 83 3.111 -13.523 0.918 1.00 0.00 C ATOM 0 H ALA A 83 1.806 -11.419 0.621 1.00 0.00 H new ATOM 0 HA ALA A 83 1.125 -14.184 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.476 -14.534 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.346 -13.232 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.592 -12.833 1.611 1.00 0.00 H new ATOM 1331 N CYS A 84 1.416 -12.932 3.470 1.00 0.00 N ATOM 1332 CA CYS A 84 1.097 -13.235 4.893 1.00 0.00 C ATOM 1333 C CYS A 84 -0.393 -13.559 5.010 1.00 0.00 C ATOM 1334 O CYS A 84 -0.820 -14.248 5.914 1.00 0.00 O ATOM 1335 CB CYS A 84 1.427 -12.021 5.764 1.00 0.00 C ATOM 1336 SG CYS A 84 0.887 -12.333 7.463 1.00 0.00 S ATOM 0 H CYS A 84 1.746 -11.984 3.288 1.00 0.00 H new ATOM 0 HA CYS A 84 1.688 -14.087 5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.499 -11.825 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.932 -11.133 5.371 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.033 -13.251 7.464 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.188 -13.065 4.096 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.657 -13.339 4.138 1.00 0.00 C ATOM 1344 C HIS A 85 -2.984 -14.516 3.218 1.00 0.00 C ATOM 1345 O HIS A 85 -3.883 -15.290 3.481 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.414 -12.099 3.659 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.894 -12.320 3.811 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.558 -12.087 5.005 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.850 -12.751 2.928 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.858 -12.374 4.807 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.090 -12.785 3.557 1.00 0.00 N ATOM 0 H HIS A 85 -0.882 -12.481 3.318 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.954 -13.582 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.105 -11.227 4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.172 -11.893 2.616 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.138 -11.758 5.875 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.668 -13.023 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.621 -12.283 5.566 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.261 -14.658 2.140 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.534 -15.789 1.206 1.00 0.00 C ATOM 1361 C GLU A 86 -1.923 -17.068 1.773 1.00 0.00 C ATOM 1362 O GLU A 86 -2.533 -18.119 1.761 1.00 0.00 O ATOM 1363 CB GLU A 86 -1.917 -15.485 -0.161 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.143 -16.672 -1.102 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.723 -16.283 -2.521 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.075 -15.194 -2.945 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.057 -17.081 -3.160 1.00 0.00 O ATOM 0 H GLU A 86 -1.495 -14.042 1.866 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.610 -15.919 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.365 -14.584 -0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.850 -15.290 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.567 -17.533 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.193 -16.966 -1.089 1.00 0.00 H new ATOM 1374 N PHE A 87 -0.723 -16.988 2.270 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.070 -18.199 2.843 1.00 0.00 C ATOM 1376 C PHE A 87 -0.950 -18.760 3.960 1.00 0.00 C ATOM 1377 O PHE A 87 -1.112 -19.957 4.095 1.00 0.00 O ATOM 1378 CB PHE A 87 1.301 -17.824 3.410 1.00 0.00 C ATOM 1379 CG PHE A 87 2.003 -19.073 3.892 1.00 0.00 C ATOM 1380 CD1 PHE A 87 2.536 -19.976 2.966 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.120 -19.328 5.266 1.00 0.00 C ATOM 1382 CE1 PHE A 87 3.188 -21.133 3.411 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.771 -20.485 5.710 1.00 0.00 C ATOM 1384 CZ PHE A 87 3.305 -21.388 4.782 1.00 0.00 C ATOM 0 H PHE A 87 -0.164 -16.136 2.305 1.00 0.00 H new ATOM 0 HA PHE A 87 0.058 -18.950 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.900 -17.329 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.186 -17.118 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.445 -19.781 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.708 -18.632 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.601 -21.829 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.861 -20.681 6.768 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.807 -22.281 5.124 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.523 -17.903 4.762 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.396 -18.386 5.867 1.00 0.00 C ATOM 1396 C PHE A 88 -3.712 -18.908 5.286 1.00 0.00 C ATOM 1397 O PHE A 88 -4.226 -19.925 5.705 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.684 -17.230 6.828 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.414 -17.753 8.043 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -2.724 -18.503 9.003 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -4.779 -17.488 8.212 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.398 -18.988 10.131 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.453 -17.972 9.340 1.00 0.00 C ATOM 1404 CZ PHE A 88 -4.763 -18.722 10.299 1.00 0.00 C ATOM 0 H PHE A 88 -1.423 -16.890 4.699 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.893 -19.190 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.751 -16.752 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.285 -16.470 6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.671 -18.708 8.874 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.312 -16.910 7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.865 -19.567 10.871 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.505 -17.766 9.470 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.283 -19.096 11.169 1.00 0.00 H new ATOM 1494 N GLU B 2 7.895 -1.613 12.238 1.00 0.00 N ATOM 1495 CA GLU B 2 6.742 -0.704 11.997 1.00 0.00 C ATOM 1496 C GLU B 2 5.886 -1.254 10.855 1.00 0.00 C ATOM 1497 O GLU B 2 4.680 -1.120 10.856 1.00 0.00 O ATOM 1498 CB GLU B 2 7.255 0.692 11.637 1.00 0.00 C ATOM 1499 CG GLU B 2 7.744 1.396 12.905 1.00 0.00 C ATOM 1500 CD GLU B 2 6.542 1.866 13.726 1.00 0.00 C ATOM 1501 OE1 GLU B 2 6.096 2.981 13.503 1.00 0.00 O ATOM 1502 OE2 GLU B 2 6.088 1.105 14.564 1.00 0.00 O ATOM 0 HA GLU B 2 6.135 -0.640 12.900 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.066 0.618 10.913 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.461 1.273 11.168 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.358 0.717 13.496 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.373 2.247 12.642 1.00 0.00 H new ATOM 1509 N LEU B 3 6.490 -1.877 9.882 1.00 0.00 N ATOM 1510 CA LEU B 3 5.680 -2.427 8.755 1.00 0.00 C ATOM 1511 C LEU B 3 4.904 -3.665 9.217 1.00 0.00 C ATOM 1512 O LEU B 3 3.953 -4.071 8.583 1.00 0.00 O ATOM 1513 CB LEU B 3 6.580 -2.806 7.570 1.00 0.00 C ATOM 1514 CG LEU B 3 7.372 -1.588 7.078 1.00 0.00 C ATOM 1515 CD1 LEU B 3 8.167 -1.975 5.828 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.416 -0.429 6.732 1.00 0.00 C ATOM 0 H LEU B 3 7.496 -2.029 9.816 1.00 0.00 H new ATOM 0 HA LEU B 3 4.980 -1.655 8.435 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.268 -3.597 7.868 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.971 -3.203 6.757 1.00 0.00 H new ATOM 0 HG LEU B 3 8.049 -1.264 7.868 1.00 0.00 H new ATOM 0 HD11 LEU B 3 8.732 -1.112 5.474 1.00 0.00 H new ATOM 0 HD12 LEU B 3 8.855 -2.785 6.071 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.481 -2.304 5.048 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.994 0.428 6.385 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.729 -0.746 5.947 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.849 -0.148 7.619 1.00 0.00 H new ATOM 1528 N GLU B 4 5.267 -4.258 10.323 1.00 0.00 N ATOM 1529 CA GLU B 4 4.501 -5.446 10.797 1.00 0.00 C ATOM 1530 C GLU B 4 3.188 -4.945 11.390 1.00 0.00 C ATOM 1531 O GLU B 4 2.164 -5.593 11.315 1.00 0.00 O ATOM 1532 CB GLU B 4 5.300 -6.202 11.865 1.00 0.00 C ATOM 1533 CG GLU B 4 4.420 -7.287 12.493 1.00 0.00 C ATOM 1534 CD GLU B 4 5.289 -8.226 13.332 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.077 -8.953 12.748 1.00 0.00 O ATOM 1536 OE2 GLU B 4 5.153 -8.203 14.544 1.00 0.00 O ATOM 0 H GLU B 4 6.051 -3.976 10.912 1.00 0.00 H new ATOM 0 HA GLU B 4 4.313 -6.129 9.968 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.187 -6.652 11.419 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.645 -5.510 12.633 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.651 -6.831 13.117 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.906 -7.849 11.714 1.00 0.00 H new ATOM 1543 N LYS B 5 3.220 -3.777 11.964 1.00 0.00 N ATOM 1544 CA LYS B 5 1.989 -3.194 12.550 1.00 0.00 C ATOM 1545 C LYS B 5 1.023 -2.869 11.412 1.00 0.00 C ATOM 1546 O LYS B 5 -0.158 -3.145 11.483 1.00 0.00 O ATOM 1547 CB LYS B 5 2.375 -1.909 13.315 1.00 0.00 C ATOM 1548 CG LYS B 5 2.761 -2.254 14.777 1.00 0.00 C ATOM 1549 CD LYS B 5 3.908 -1.341 15.281 1.00 0.00 C ATOM 1550 CE LYS B 5 5.265 -2.022 15.046 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.468 -3.083 16.073 1.00 0.00 N ATOM 0 H LYS B 5 4.055 -3.198 12.052 1.00 0.00 H new ATOM 0 HA LYS B 5 1.511 -3.890 13.239 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.210 -1.417 12.817 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.541 -1.207 13.307 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.890 -2.140 15.423 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.069 -3.298 14.839 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.877 -0.384 14.760 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.777 -1.131 16.342 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.299 -2.456 14.047 1.00 0.00 H new ATOM 0 HE3 LYS B 5 6.068 -1.287 15.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.471 -3.358 16.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.188 -2.721 17.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.887 -3.912 15.835 1.00 0.00 H new ATOM 1565 N ALA B 6 1.522 -2.284 10.362 1.00 0.00 N ATOM 1566 CA ALA B 6 0.651 -1.936 9.212 1.00 0.00 C ATOM 1567 C ALA B 6 0.145 -3.210 8.542 1.00 0.00 C ATOM 1568 O ALA B 6 -1.019 -3.334 8.219 1.00 0.00 O ATOM 1569 CB ALA B 6 1.464 -1.114 8.209 1.00 0.00 C ATOM 0 H ALA B 6 2.504 -2.031 10.252 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.205 -1.357 9.560 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.835 -0.852 7.359 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.822 -0.204 8.690 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.315 -1.700 7.863 1.00 0.00 H new ATOM 1575 N MET B 7 1.009 -4.155 8.327 1.00 0.00 N ATOM 1576 CA MET B 7 0.577 -5.420 7.672 1.00 0.00 C ATOM 1577 C MET B 7 -0.584 -6.031 8.449 1.00 0.00 C ATOM 1578 O MET B 7 -1.525 -6.538 7.878 1.00 0.00 O ATOM 1579 CB MET B 7 1.733 -6.428 7.668 1.00 0.00 C ATOM 1580 CG MET B 7 2.860 -5.978 6.724 1.00 0.00 C ATOM 1581 SD MET B 7 4.439 -6.626 7.339 1.00 0.00 S ATOM 1582 CE MET B 7 5.535 -5.815 6.149 1.00 0.00 C ATOM 0 H MET B 7 1.997 -4.109 8.576 1.00 0.00 H new ATOM 0 HA MET B 7 0.272 -5.195 6.650 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.125 -6.540 8.679 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.365 -7.406 7.359 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.672 -6.341 5.713 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.895 -4.890 6.671 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.417 -5.437 6.666 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.840 -6.533 5.388 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.009 -4.986 5.676 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.517 -6.007 9.746 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.614 -6.612 10.551 1.00 0.00 C ATOM 1594 C VAL B 8 -2.827 -5.686 10.543 1.00 0.00 C ATOM 1595 O VAL B 8 -3.951 -6.120 10.389 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.127 -6.828 11.989 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.305 -7.205 12.890 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.091 -7.957 12.006 1.00 0.00 C ATOM 0 H VAL B 8 0.246 -5.597 10.285 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.899 -7.572 10.120 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.677 -5.907 12.359 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.950 -7.356 13.909 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -3.043 -6.403 12.878 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.763 -8.124 12.525 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.259 -8.115 13.026 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.546 -8.874 11.633 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.753 -7.686 11.371 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.611 -4.417 10.709 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.753 -3.472 10.714 1.00 0.00 C ATOM 1610 C ALA B 9 -4.450 -3.496 9.351 1.00 0.00 C ATOM 1611 O ALA B 9 -5.645 -3.292 9.254 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.241 -2.062 11.001 1.00 0.00 C ATOM 0 H ALA B 9 -1.693 -3.993 10.841 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.464 -3.767 11.486 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.079 -1.365 11.005 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.749 -2.044 11.974 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.529 -1.769 10.229 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.718 -3.729 8.292 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.355 -3.746 6.943 1.00 0.00 C ATOM 1620 C LEU B 10 -5.054 -5.089 6.694 1.00 0.00 C ATOM 1621 O LEU B 10 -6.192 -5.128 6.291 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.267 -3.496 5.880 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.090 -1.969 5.631 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.611 -1.638 5.398 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.909 -1.544 4.401 1.00 0.00 C ATOM 0 H LEU B 10 -2.714 -3.907 8.303 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.111 -2.963 6.885 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.322 -3.929 6.209 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.539 -3.993 4.949 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.443 -1.428 6.509 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.501 -0.567 5.225 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.031 -1.926 6.275 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.248 -2.185 4.528 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.782 -0.475 4.231 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.563 -2.094 3.526 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.963 -1.761 4.573 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.388 -6.187 6.924 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.026 -7.518 6.682 1.00 0.00 C ATOM 1639 C ILE B 11 -6.428 -7.530 7.295 1.00 0.00 C ATOM 1640 O ILE B 11 -7.322 -8.193 6.810 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.163 -8.623 7.312 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.924 -8.839 6.438 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.958 -9.933 7.394 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.929 -9.758 7.151 1.00 0.00 C ATOM 0 H ILE B 11 -3.429 -6.223 7.269 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.105 -7.698 5.610 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.869 -8.324 8.318 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.215 -9.277 5.483 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.453 -7.881 6.219 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.336 -10.708 7.842 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.847 -9.781 8.007 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.256 -10.241 6.392 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.052 -9.904 6.520 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.626 -9.304 8.094 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.400 -10.721 7.347 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.628 -6.802 8.354 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.977 -6.779 8.986 1.00 0.00 C ATOM 1658 C ASP B 12 -8.922 -5.930 8.137 1.00 0.00 C ATOM 1659 O ASP B 12 -9.999 -6.359 7.774 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.876 -6.191 10.395 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.142 -7.174 11.309 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.880 -8.281 10.867 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.854 -6.803 12.435 1.00 0.00 O ATOM 0 H ASP B 12 -5.922 -6.224 8.809 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.365 -7.796 9.051 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.345 -5.240 10.366 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.872 -5.988 10.788 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.530 -4.733 7.812 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.407 -3.864 6.980 1.00 0.00 C ATOM 1670 C VAL B 13 -9.357 -4.338 5.527 1.00 0.00 C ATOM 1671 O VAL B 13 -10.284 -4.142 4.767 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.931 -2.412 7.072 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.986 -1.474 6.480 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.705 -2.051 8.539 1.00 0.00 C ATOM 0 H VAL B 13 -7.640 -4.317 8.086 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.433 -3.924 7.344 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.002 -2.304 6.512 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.637 -0.444 6.550 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.154 -1.729 5.434 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.919 -1.580 7.034 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.366 -1.018 8.611 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.638 -2.166 9.090 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.949 -2.712 8.964 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.278 -4.956 5.128 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.182 -5.431 3.717 1.00 0.00 C ATOM 1686 C PHE B 14 -9.108 -6.640 3.517 1.00 0.00 C ATOM 1687 O PHE B 14 -9.837 -6.719 2.549 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.724 -5.808 3.398 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.662 -6.770 2.225 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.130 -6.370 0.967 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.148 -8.062 2.402 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.082 -7.261 -0.112 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.100 -8.951 1.321 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.568 -8.551 0.065 1.00 0.00 C ATOM 0 H PHE B 14 -7.465 -5.151 5.712 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.494 -4.636 3.039 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.153 -4.909 3.168 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.261 -6.264 4.273 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.528 -5.375 0.829 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.789 -8.372 3.372 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.442 -6.953 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.702 -9.946 1.457 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.533 -9.237 -0.768 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.068 -7.589 4.410 1.00 0.00 N ATOM 1705 CA HIS B 15 -9.927 -8.798 4.249 1.00 0.00 C ATOM 1706 C HIS B 15 -11.383 -8.475 4.608 1.00 0.00 C ATOM 1707 O HIS B 15 -12.303 -9.034 4.047 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.403 -9.914 5.164 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.884 -11.251 4.666 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.621 -12.116 5.459 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.739 -11.882 3.455 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.889 -13.210 4.723 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.374 -13.119 3.494 1.00 0.00 N ATOM 0 H HIS B 15 -8.479 -7.581 5.243 1.00 0.00 H new ATOM 0 HA HIS B 15 -9.891 -9.124 3.209 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.313 -9.895 5.188 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.747 -9.751 6.185 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.908 -11.953 6.424 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.212 -11.479 2.602 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.452 -14.059 5.082 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.603 -7.589 5.540 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.005 -7.253 5.924 1.00 0.00 C ATOM 1723 C GLN B 16 -13.704 -6.541 4.763 1.00 0.00 C ATOM 1724 O GLN B 16 -14.869 -6.765 4.494 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.993 -6.336 7.154 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.710 -7.166 8.407 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.507 -6.235 9.604 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -13.041 -5.044 9.588 1.00 0.00 O flip ATOM 1729 NE2 GLN B 16 -11.857 -6.595 10.565 1.00 0.00 N flip ATOM 0 H GLN B 16 -10.878 -7.085 6.050 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.543 -8.171 6.159 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.233 -5.564 7.037 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.952 -5.827 7.251 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.539 -7.847 8.599 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.822 -7.780 8.256 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.439 -7.525 10.579 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -11.729 -5.967 11.358 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.003 -5.691 4.064 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.636 -4.972 2.918 1.00 0.00 C ATOM 1740 C TYR B 17 -13.446 -5.788 1.642 1.00 0.00 C ATOM 1741 O TYR B 17 -14.401 -6.201 1.018 1.00 0.00 O ATOM 1742 CB TYR B 17 -12.985 -3.591 2.761 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.561 -2.648 3.794 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.166 -2.751 5.132 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.496 -1.677 3.412 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.706 -1.883 6.089 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.034 -0.810 4.369 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.640 -0.913 5.708 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.172 -0.057 6.651 1.00 0.00 O ATOM 0 H TYR B 17 -12.024 -5.463 4.234 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.702 -4.845 3.105 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -11.905 -3.669 2.885 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.164 -3.204 1.758 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.445 -3.499 5.427 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -14.801 -1.598 2.379 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.401 -1.962 7.122 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.754 -0.061 4.074 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.632 -0.094 7.468 1.00 0.00 H new ATOM 1759 N SER B 18 -12.228 -6.045 1.260 1.00 0.00 N ATOM 1760 CA SER B 18 -12.003 -6.853 0.032 1.00 0.00 C ATOM 1761 C SER B 18 -12.829 -8.141 0.134 1.00 0.00 C ATOM 1762 O SER B 18 -13.186 -8.747 -0.857 1.00 0.00 O ATOM 1763 CB SER B 18 -10.518 -7.204 -0.083 1.00 0.00 C ATOM 1764 OG SER B 18 -9.741 -6.053 0.219 1.00 0.00 O ATOM 0 H SER B 18 -11.384 -5.733 1.741 1.00 0.00 H new ATOM 0 HA SER B 18 -12.305 -6.286 -0.849 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.270 -8.015 0.602 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.292 -7.556 -1.090 1.00 0.00 H new ATOM 0 HG SER B 18 -9.191 -6.228 1.011 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.126 -8.565 1.340 1.00 0.00 N ATOM 1771 CA GLY B 19 -13.920 -9.820 1.542 1.00 0.00 C ATOM 1772 C GLY B 19 -15.387 -9.491 1.848 1.00 0.00 C ATOM 1773 O GLY B 19 -16.199 -10.378 2.028 1.00 0.00 O ATOM 0 H GLY B 19 -12.850 -8.091 2.200 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.860 -10.442 0.649 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.493 -10.398 2.362 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.747 -8.235 1.900 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.171 -7.883 2.183 1.00 0.00 C ATOM 1779 C ARG B 20 -18.060 -8.520 1.119 1.00 0.00 C ATOM 1780 O ARG B 20 -19.125 -9.031 1.404 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.326 -6.359 2.139 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.777 -5.941 2.421 1.00 0.00 C ATOM 1783 CD ARG B 20 -18.953 -4.455 2.086 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.102 -3.906 2.857 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.000 -3.745 4.149 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -18.892 -4.065 4.760 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.005 -3.265 4.829 1.00 0.00 N ATOM 0 H ARG B 20 -15.121 -7.442 1.760 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.461 -8.250 3.168 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.663 -5.902 2.874 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.021 -5.988 1.161 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.463 -6.543 1.825 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.022 -6.121 3.468 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.043 -3.906 2.328 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.125 -4.330 1.017 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.967 -3.656 2.377 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.107 -4.440 4.228 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -18.811 -3.940 5.769 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -21.871 -3.015 4.351 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -20.925 -3.140 5.838 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.625 -8.495 -0.106 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.441 -9.103 -1.200 1.00 0.00 C ATOM 1803 C GLU B 21 -17.542 -9.469 -2.383 1.00 0.00 C ATOM 1804 O GLU B 21 -16.414 -9.031 -2.480 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.506 -8.103 -1.657 1.00 0.00 C ATOM 1806 CG GLU B 21 -18.879 -6.714 -1.791 1.00 0.00 C ATOM 1807 CD GLU B 21 -19.833 -5.795 -2.555 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.027 -6.043 -2.507 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -19.355 -4.860 -3.175 1.00 0.00 O ATOM 0 H GLU B 21 -16.741 -8.081 -0.402 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.923 -10.007 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.928 -8.416 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.326 -8.076 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.671 -6.300 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.926 -6.783 -2.315 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.043 -10.274 -3.288 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.233 -10.678 -4.477 1.00 0.00 C ATOM 1818 C GLY B 22 -16.550 -12.019 -4.210 1.00 0.00 C ATOM 1819 O GLY B 22 -16.931 -12.757 -3.324 1.00 0.00 O ATOM 0 H GLY B 22 -18.982 -10.670 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.874 -10.755 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.485 -9.916 -4.694 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.539 -12.338 -4.974 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.823 -13.630 -4.770 1.00 0.00 C ATOM 1825 C ASP B 23 -14.531 -13.816 -3.281 1.00 0.00 C ATOM 1826 O ASP B 23 -15.243 -14.509 -2.581 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.505 -13.611 -5.550 1.00 0.00 C ATOM 1828 CG ASP B 23 -12.767 -14.933 -5.342 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.119 -15.895 -6.005 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -11.862 -14.961 -4.525 1.00 0.00 O ATOM 0 H ASP B 23 -15.178 -11.758 -5.732 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.444 -14.452 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.701 -13.455 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.884 -12.780 -5.215 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.494 -13.198 -2.789 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.165 -13.336 -1.344 1.00 0.00 C ATOM 1837 C LYS B 24 -12.016 -12.374 -0.997 1.00 0.00 C ATOM 1838 O LYS B 24 -11.671 -12.197 0.154 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.765 -14.805 -1.047 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.500 -15.334 0.196 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.987 -14.614 1.447 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.718 -15.152 2.679 1.00 0.00 C ATOM 1843 NZ LYS B 24 -15.141 -14.707 2.645 1.00 0.00 N ATOM 0 H LYS B 24 -12.861 -12.604 -3.325 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.031 -13.083 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.001 -15.431 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.688 -14.868 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.573 -15.177 0.089 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.343 -16.408 0.293 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.913 -14.766 1.553 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.149 -13.540 1.354 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -13.666 -16.241 2.699 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.235 -14.793 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -15.561 -14.815 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -15.186 -13.708 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -15.670 -15.287 1.963 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.425 -11.749 -1.985 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.308 -10.799 -1.701 1.00 0.00 C ATOM 1859 C HIS B 25 -10.183 -9.774 -2.834 1.00 0.00 C ATOM 1860 O HIS B 25 -9.098 -9.510 -3.309 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.978 -11.563 -1.570 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.186 -12.877 -0.863 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.345 -12.967 0.514 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.225 -14.169 -1.329 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.467 -14.272 0.823 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.400 -15.042 -0.263 1.00 0.00 N ATOM 0 H HIS B 25 -11.667 -11.855 -2.970 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.527 -10.285 -0.765 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.555 -11.739 -2.559 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.258 -10.958 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.134 -14.461 -2.365 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.602 -14.648 1.826 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.464 -16.059 -0.303 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.274 -9.186 -3.267 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.209 -8.168 -4.365 1.00 0.00 C ATOM 1876 C LYS B 26 -11.917 -6.900 -3.889 1.00 0.00 C ATOM 1877 O LYS B 26 -12.876 -6.958 -3.145 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.924 -8.716 -5.607 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.593 -7.847 -6.835 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.275 -8.313 -7.488 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.551 -9.453 -8.474 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.259 -9.989 -8.989 1.00 0.00 N ATOM 0 H LYS B 26 -12.210 -9.368 -2.906 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.171 -7.947 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.617 -9.746 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.001 -8.728 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.405 -7.906 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.508 -6.802 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.802 -7.479 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.577 -8.647 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.115 -10.245 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.163 -9.093 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.446 -10.763 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.737 -9.231 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -8.691 -10.348 -8.195 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.434 -5.751 -4.286 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.060 -4.471 -3.827 1.00 0.00 C ATOM 1898 C LEU B 27 -13.068 -3.952 -4.870 1.00 0.00 C ATOM 1899 O LEU B 27 -12.745 -3.726 -6.019 1.00 0.00 O ATOM 1900 CB LEU B 27 -10.924 -3.442 -3.610 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.262 -2.367 -2.551 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -12.324 -1.397 -3.073 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.702 -3.005 -1.219 1.00 0.00 C ATOM 0 H LEU B 27 -10.633 -5.642 -4.908 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.608 -4.632 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.020 -3.969 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.703 -2.951 -4.558 1.00 0.00 H new ATOM 0 HG LEU B 27 -10.352 -1.799 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.543 -0.652 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.953 -0.900 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.233 -1.948 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -11.932 -2.220 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.589 -3.617 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -10.897 -3.630 -0.831 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.288 -3.724 -4.433 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.355 -3.172 -5.330 1.00 0.00 C ATOM 1917 C LYS B 28 -15.686 -1.747 -4.872 1.00 0.00 C ATOM 1918 O LYS B 28 -15.460 -1.389 -3.736 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.612 -4.037 -5.245 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.239 -5.493 -5.517 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.509 -6.341 -5.643 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.158 -7.723 -6.212 1.00 0.00 C ATOM 1923 NZ LYS B 28 -17.205 -7.675 -7.701 1.00 0.00 N ATOM 0 H LYS B 28 -14.592 -3.901 -3.476 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.001 -3.167 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.066 -3.944 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.352 -3.697 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.652 -5.562 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.615 -5.875 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.983 -6.449 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.227 -5.842 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.165 -8.024 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.859 -8.470 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.967 -8.611 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.161 -7.406 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.520 -6.974 -8.048 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.206 -0.927 -5.741 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.530 0.475 -5.339 1.00 0.00 C ATOM 1939 C LYS B 29 -17.273 0.486 -3.992 1.00 0.00 C ATOM 1940 O LYS B 29 -16.950 1.247 -3.101 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.404 1.124 -6.419 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.544 2.631 -6.149 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.951 3.353 -7.437 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.205 2.696 -8.018 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.204 2.488 -6.932 1.00 0.00 N ATOM 0 H LYS B 29 -16.421 -1.163 -6.710 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.603 1.038 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.961 0.962 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.388 0.656 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.290 2.803 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.601 3.033 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.142 4.406 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.138 3.312 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.629 3.325 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.949 1.742 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -21.164 2.588 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.089 1.535 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -20.057 3.196 -6.185 1.00 0.00 H new ATOM 1959 N SER B 30 -18.272 -0.343 -3.844 1.00 0.00 N ATOM 1960 CA SER B 30 -19.051 -0.379 -2.564 1.00 0.00 C ATOM 1961 C SER B 30 -18.108 -0.393 -1.352 1.00 0.00 C ATOM 1962 O SER B 30 -18.518 -0.153 -0.233 1.00 0.00 O ATOM 1963 CB SER B 30 -19.916 -1.640 -2.539 1.00 0.00 C ATOM 1964 OG SER B 30 -20.822 -1.612 -3.634 1.00 0.00 O ATOM 0 H SER B 30 -18.586 -1.002 -4.557 1.00 0.00 H new ATOM 0 HA SER B 30 -19.676 0.512 -2.511 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.286 -2.528 -2.596 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.465 -1.699 -1.599 1.00 0.00 H new ATOM 0 HG SER B 30 -21.376 -2.420 -3.621 1.00 0.00 H new ATOM 1970 N GLU B 31 -16.843 -0.625 -1.574 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.866 -0.620 -0.446 1.00 0.00 C ATOM 1972 C GLU B 31 -15.125 0.708 -0.460 1.00 0.00 C ATOM 1973 O GLU B 31 -14.827 1.275 0.563 1.00 0.00 O ATOM 1974 CB GLU B 31 -14.905 -1.782 -0.627 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.640 -3.120 -0.364 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.129 -4.206 -1.321 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -15.645 -4.286 -2.422 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -14.233 -4.936 -0.937 1.00 0.00 O ATOM 0 H GLU B 31 -16.442 -0.819 -2.492 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.371 -0.734 0.513 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.497 -1.774 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.063 -1.679 0.057 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -15.483 -3.432 0.668 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.714 -2.985 -0.496 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.845 1.217 -1.620 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.140 2.515 -1.714 1.00 0.00 C ATOM 1987 C LEU B 32 -14.986 3.594 -1.029 1.00 0.00 C ATOM 1988 O LEU B 32 -14.548 4.241 -0.099 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.936 2.827 -3.212 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.529 3.376 -3.510 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -12.290 4.720 -2.786 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -11.448 2.345 -3.114 1.00 0.00 C ATOM 0 H LEU B 32 -15.077 0.785 -2.514 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.171 2.483 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.101 1.921 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.682 3.553 -3.534 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.459 3.556 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -11.288 5.084 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -13.027 5.450 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.386 4.576 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.460 2.751 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.524 2.129 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.596 1.426 -3.682 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.193 3.791 -1.476 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.059 4.816 -0.851 1.00 0.00 C ATOM 2006 C LYS B 33 -17.399 4.402 0.586 1.00 0.00 C ATOM 2007 O LYS B 33 -17.543 5.230 1.463 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.334 4.917 -1.688 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.020 6.270 -1.475 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.424 6.225 -2.104 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.444 5.702 -1.085 1.00 0.00 C ATOM 2012 NZ LYS B 33 -21.814 6.797 -0.145 1.00 0.00 N ATOM 0 H LYS B 33 -16.616 3.281 -2.252 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.552 5.780 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.093 4.789 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -19.017 4.112 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.092 6.492 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.430 7.067 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.712 7.221 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.416 5.582 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -22.332 5.334 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.024 4.861 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.091 6.389 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -20.999 7.429 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.610 7.338 -0.538 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.545 3.126 0.830 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.898 2.679 2.215 1.00 0.00 C ATOM 2028 C GLU B 34 -16.655 2.699 3.105 1.00 0.00 C ATOM 2029 O GLU B 34 -16.727 2.991 4.282 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.477 1.264 2.179 1.00 0.00 C ATOM 2031 CG GLU B 34 -18.952 0.877 3.580 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.659 -0.478 3.525 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.170 -0.816 2.470 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -19.677 -1.157 4.539 1.00 0.00 O ATOM 0 H GLU B 34 -17.437 2.381 0.142 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.644 3.362 2.623 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.308 1.216 1.475 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.723 0.559 1.830 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.103 0.828 4.262 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.630 1.637 3.968 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.518 2.392 2.554 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.268 2.395 3.365 1.00 0.00 C ATOM 2043 C LEU B 35 -13.892 3.840 3.693 1.00 0.00 C ATOM 2044 O LEU B 35 -13.339 4.127 4.736 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.147 1.729 2.555 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.828 1.723 3.344 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.947 0.809 4.571 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.710 1.213 2.432 1.00 0.00 C ATOM 0 H LEU B 35 -15.397 2.138 1.574 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.417 1.843 4.293 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.431 0.706 2.306 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.009 2.260 1.613 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.604 2.734 3.683 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.006 0.814 5.121 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.747 1.170 5.217 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.173 -0.207 4.247 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.768 1.204 2.981 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -10.945 0.202 2.098 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.619 1.869 1.566 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.186 4.751 2.809 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.845 6.179 3.063 1.00 0.00 C ATOM 2062 C ILE B 36 -14.822 6.767 4.088 1.00 0.00 C ATOM 2063 O ILE B 36 -14.454 7.582 4.912 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.935 6.956 1.741 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.778 6.536 0.831 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.846 8.463 2.004 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.991 7.115 -0.569 1.00 0.00 C ATOM 0 H ILE B 36 -14.649 4.568 1.919 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.833 6.255 3.460 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.889 6.734 1.262 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.832 6.889 1.242 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.718 5.449 0.781 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.911 9.002 1.059 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.667 8.768 2.653 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.897 8.692 2.488 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.167 6.815 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.929 6.740 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.030 8.203 -0.511 1.00 0.00 H new ATOM 2079 N ASN B 37 -16.062 6.369 4.037 1.00 0.00 N ATOM 2080 CA ASN B 37 -17.071 6.909 4.997 1.00 0.00 C ATOM 2081 C ASN B 37 -17.000 6.164 6.337 1.00 0.00 C ATOM 2082 O ASN B 37 -17.447 6.662 7.352 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.470 6.750 4.401 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.510 7.397 3.014 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -17.478 8.077 2.596 1.00 0.00 O flip ATOM 2086 ND2 ASN B 37 -19.488 7.281 2.305 1.00 0.00 N flip ATOM 0 H ASN B 37 -16.424 5.689 3.369 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.857 7.963 5.174 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.728 5.694 4.329 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -19.210 7.215 5.053 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.295 6.749 2.632 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -19.503 7.715 1.382 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.492 4.957 6.343 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.446 4.169 7.621 1.00 0.00 C ATOM 2095 C ASN B 38 -15.081 4.283 8.311 1.00 0.00 C ATOM 2096 O ASN B 38 -15.012 4.449 9.513 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.725 2.699 7.308 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.142 2.553 6.751 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.538 3.289 5.869 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -18.928 1.630 7.232 1.00 0.00 N ATOM 0 H ASN B 38 -16.108 4.482 5.526 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.200 4.573 8.296 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.999 2.327 6.585 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.614 2.097 8.210 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.875 1.526 6.868 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.596 1.012 7.972 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.997 4.178 7.583 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.642 4.260 8.229 1.00 0.00 C ATOM 2109 C GLU B 39 -12.009 5.628 7.970 1.00 0.00 C ATOM 2110 O GLU B 39 -11.765 6.388 8.886 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.739 3.165 7.653 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.275 1.789 8.057 1.00 0.00 C ATOM 2113 CD GLU B 39 -12.127 1.604 9.570 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -11.034 1.279 10.002 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -13.110 1.789 10.269 1.00 0.00 O ATOM 0 H GLU B 39 -13.987 4.039 6.572 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.755 4.122 9.304 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.700 3.246 6.567 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.720 3.291 8.019 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.322 1.697 7.770 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.730 1.006 7.530 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.731 5.948 6.738 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.102 7.267 6.444 1.00 0.00 C ATOM 2124 C LEU B 40 -12.162 8.369 6.525 1.00 0.00 C ATOM 2125 O LEU B 40 -12.141 9.313 5.759 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.466 7.249 5.038 1.00 0.00 C ATOM 2127 CG LEU B 40 -10.045 5.822 4.657 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.308 5.863 3.313 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -9.125 5.224 5.745 1.00 0.00 C ATOM 0 H LEU B 40 -11.910 5.358 5.925 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.321 7.464 7.179 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.177 7.633 4.306 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.599 7.909 5.016 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.931 5.193 4.573 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.005 4.854 3.033 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.970 6.268 2.547 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.425 6.496 3.401 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.835 4.212 5.461 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.233 5.842 5.847 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.657 5.195 6.696 1.00 0.00 H new ATOM 2141 N SER B 41 -13.090 8.272 7.445 1.00 0.00 N ATOM 2142 CA SER B 41 -14.141 9.324 7.565 1.00 0.00 C ATOM 2143 C SER B 41 -13.685 10.393 8.567 1.00 0.00 C ATOM 2144 O SER B 41 -14.154 11.514 8.548 1.00 0.00 O ATOM 2145 CB SER B 41 -15.439 8.666 8.049 1.00 0.00 C ATOM 2146 OG SER B 41 -16.543 9.257 7.376 1.00 0.00 O ATOM 0 H SER B 41 -13.163 7.509 8.117 1.00 0.00 H new ATOM 0 HA SER B 41 -14.310 9.800 6.599 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.411 7.594 7.855 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.545 8.792 9.126 1.00 0.00 H new ATOM 0 HG SER B 41 -17.227 8.576 7.209 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.771 10.055 9.437 1.00 0.00 N ATOM 2153 CA HIS B 42 -12.279 11.046 10.439 1.00 0.00 C ATOM 2154 C HIS B 42 -11.062 11.771 9.864 1.00 0.00 C ATOM 2155 O HIS B 42 -10.731 12.869 10.268 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.888 10.315 11.728 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.909 9.254 12.031 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.557 7.931 12.263 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -14.277 9.303 12.143 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.690 7.246 12.502 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -14.764 8.035 12.440 1.00 0.00 N ATOM 0 H HIS B 42 -12.342 9.132 9.497 1.00 0.00 H new ATOM 0 HA HIS B 42 -13.063 11.770 10.663 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.901 9.865 11.619 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.826 11.022 12.555 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.881 10.190 12.019 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.726 6.188 12.717 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -15.737 7.765 12.581 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.398 11.162 8.913 1.00 0.00 N ATOM 2171 CA PHE B 43 -9.198 11.798 8.284 1.00 0.00 C ATOM 2172 C PHE B 43 -9.611 12.349 6.914 1.00 0.00 C ATOM 2173 O PHE B 43 -9.356 13.492 6.592 1.00 0.00 O ATOM 2174 CB PHE B 43 -8.086 10.727 8.130 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.781 11.221 8.722 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.509 11.019 10.080 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.847 11.878 7.912 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.304 11.475 10.628 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.643 12.334 8.460 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.371 12.132 9.818 1.00 0.00 C ATOM 0 H PHE B 43 -10.638 10.243 8.542 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.816 12.612 8.900 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.390 9.805 8.626 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.946 10.490 7.075 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.229 10.511 10.705 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.056 12.033 6.864 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -5.095 11.320 11.676 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.923 12.842 7.835 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.441 12.483 10.241 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.262 11.540 6.115 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.717 12.002 4.766 1.00 0.00 C ATOM 2192 C LEU B 44 -12.220 12.294 4.836 1.00 0.00 C ATOM 2193 O LEU B 44 -12.998 11.484 5.299 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.445 10.888 3.726 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.138 11.162 2.967 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -7.950 11.043 3.923 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.986 10.138 1.839 1.00 0.00 C ATOM 0 H LEU B 44 -10.499 10.574 6.340 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.179 12.902 4.470 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.385 9.922 4.228 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.275 10.830 3.022 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.165 12.169 2.551 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.025 11.238 3.380 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.058 11.769 4.729 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.919 10.037 4.342 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -8.060 10.328 1.297 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.960 9.133 2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -9.830 10.222 1.155 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.636 13.440 4.374 1.00 0.00 N ATOM 2210 CA GLU B 45 -14.086 13.770 4.410 1.00 0.00 C ATOM 2211 C GLU B 45 -14.872 12.625 3.771 1.00 0.00 C ATOM 2212 O GLU B 45 -14.446 12.037 2.797 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.339 15.064 3.633 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.602 16.220 4.313 1.00 0.00 C ATOM 2215 CD GLU B 45 -14.073 17.548 3.716 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -13.893 17.738 2.525 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -14.607 18.353 4.463 1.00 0.00 O ATOM 0 H GLU B 45 -12.035 14.161 3.974 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.407 13.906 5.443 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.997 14.956 2.604 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -15.408 15.274 3.593 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -13.791 16.204 5.386 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -12.526 16.109 4.177 1.00 0.00 H new ATOM 2224 N GLU B 46 -16.013 12.297 4.312 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.816 11.186 3.729 1.00 0.00 C ATOM 2226 C GLU B 46 -17.395 11.629 2.382 1.00 0.00 C ATOM 2227 O GLU B 46 -18.341 12.389 2.323 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.954 10.819 4.693 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.516 12.089 5.343 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.883 11.786 5.962 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -20.649 11.070 5.337 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -20.140 12.275 7.050 1.00 0.00 O ATOM 0 H GLU B 46 -16.423 12.749 5.130 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.181 10.314 3.576 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.744 10.295 4.155 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.587 10.139 5.461 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.831 12.452 6.109 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.610 12.880 4.599 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.841 11.162 1.297 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.378 11.570 -0.030 1.00 0.00 C ATOM 2241 C ILE B 47 -18.859 11.195 -0.108 1.00 0.00 C ATOM 2242 O ILE B 47 -19.266 10.136 0.328 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.606 10.870 -1.159 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -16.662 9.349 -0.977 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.144 11.322 -1.144 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -15.932 8.674 -2.143 1.00 0.00 C ATOM 0 H ILE B 47 -16.047 10.522 1.272 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.262 12.648 -0.147 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.065 11.136 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.200 9.067 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.698 9.013 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.601 10.823 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.095 12.401 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -14.693 11.064 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.969 7.592 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.414 8.948 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.893 9.002 -2.160 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.669 12.059 -0.663 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.130 11.765 -0.785 1.00 0.00 C ATOM 2260 C LYS B 48 -21.427 11.409 -2.240 1.00 0.00 C ATOM 2261 O LYS B 48 -22.446 10.827 -2.557 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.933 13.008 -0.391 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.724 13.304 1.096 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.502 14.563 1.480 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.314 14.845 2.973 1.00 0.00 C ATOM 2266 NZ LYS B 48 -20.931 15.345 3.213 1.00 0.00 N ATOM 0 H LYS B 48 -19.380 12.962 -1.040 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.405 10.938 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.617 13.862 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.992 12.849 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.060 12.459 1.697 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.663 13.442 1.305 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.153 15.412 0.892 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.560 14.432 1.254 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -23.043 15.583 3.309 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.490 13.937 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -20.862 15.727 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -20.255 14.563 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -20.709 16.095 2.528 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.528 11.761 -3.123 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.709 11.464 -4.578 1.00 0.00 C ATOM 2282 C GLU B 49 -19.574 10.552 -5.041 1.00 0.00 C ATOM 2283 O GLU B 49 -18.433 10.718 -4.658 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.670 12.771 -5.374 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.960 13.557 -5.128 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.831 14.954 -5.737 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -20.718 15.344 -6.047 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.849 15.611 -5.883 1.00 0.00 O ATOM 0 H GLU B 49 -19.662 12.249 -2.894 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.669 10.973 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.807 13.366 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.558 12.559 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.807 13.033 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -22.154 13.632 -4.058 1.00 0.00 H new ATOM 2295 N GLN B 50 -19.880 9.583 -5.854 1.00 0.00 N ATOM 2296 CA GLN B 50 -18.823 8.652 -6.334 1.00 0.00 C ATOM 2297 C GLN B 50 -17.975 9.337 -7.411 1.00 0.00 C ATOM 2298 O GLN B 50 -16.883 8.905 -7.717 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.491 7.401 -6.919 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.731 7.810 -7.717 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.178 6.646 -8.603 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.256 6.115 -8.430 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -20.389 6.224 -9.553 1.00 0.00 N ATOM 0 H GLN B 50 -20.818 9.395 -6.208 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.176 8.371 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -18.790 6.869 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.770 6.717 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.535 8.093 -7.038 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.509 8.683 -8.331 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -19.483 6.669 -9.699 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -20.678 5.449 -10.149 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.477 10.387 -8.005 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.716 11.083 -9.082 1.00 0.00 C ATOM 2314 C GLU B 51 -16.242 11.211 -8.721 1.00 0.00 C ATOM 2315 O GLU B 51 -15.377 11.026 -9.554 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.310 12.472 -9.316 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.786 13.035 -10.640 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.468 14.373 -10.931 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.118 14.892 -10.038 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -18.327 14.858 -12.041 1.00 0.00 O ATOM 0 H GLU B 51 -19.387 10.794 -7.789 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.794 10.489 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.398 12.415 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.042 13.137 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.706 13.169 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -17.981 12.331 -11.449 1.00 0.00 H new ATOM 2327 N VAL B 52 -15.930 11.506 -7.498 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.495 11.612 -7.132 1.00 0.00 C ATOM 2329 C VAL B 52 -13.933 10.211 -7.033 1.00 0.00 C ATOM 2330 O VAL B 52 -12.812 9.948 -7.422 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.335 12.348 -5.800 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -14.762 13.807 -5.970 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.210 11.686 -4.733 1.00 0.00 C ATOM 0 H VAL B 52 -16.594 11.677 -6.743 1.00 0.00 H new ATOM 0 HA VAL B 52 -13.956 12.180 -7.890 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.291 12.304 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -14.648 14.332 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.137 14.283 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.805 13.847 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.092 12.214 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.254 11.726 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -14.908 10.646 -4.608 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.708 9.299 -6.542 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.220 7.906 -6.453 1.00 0.00 C ATOM 2345 C VAL B 53 -14.102 7.398 -7.887 1.00 0.00 C ATOM 2346 O VAL B 53 -13.335 6.506 -8.188 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.194 7.065 -5.577 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.056 6.116 -6.422 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.411 6.229 -4.559 1.00 0.00 C ATOM 0 H VAL B 53 -15.656 9.456 -6.199 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.247 7.830 -5.968 1.00 0.00 H new ATOM 0 HB VAL B 53 -15.847 7.773 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.720 5.549 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.650 6.696 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.411 5.428 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.106 5.647 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.735 5.555 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -13.834 6.890 -3.913 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.842 7.993 -8.781 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.748 7.575 -10.203 1.00 0.00 C ATOM 2361 C ASP B 54 -13.457 8.166 -10.757 1.00 0.00 C ATOM 2362 O ASP B 54 -12.795 7.584 -11.593 1.00 0.00 O ATOM 2363 CB ASP B 54 -15.945 8.113 -10.992 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.211 7.360 -10.582 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.245 6.857 -9.471 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.127 7.299 -11.386 1.00 0.00 O ATOM 0 H ASP B 54 -15.503 8.746 -8.588 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.750 6.488 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.067 9.180 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.771 7.996 -12.062 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.091 9.323 -10.270 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.834 9.969 -10.733 1.00 0.00 C ATOM 2373 C LYS B 55 -10.652 9.362 -9.971 1.00 0.00 C ATOM 2374 O LYS B 55 -9.627 9.054 -10.545 1.00 0.00 O ATOM 2375 CB LYS B 55 -11.912 11.484 -10.474 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.515 12.142 -10.619 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.862 12.331 -9.235 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.339 12.431 -9.384 1.00 0.00 C ATOM 2379 NZ LYS B 55 -7.761 13.067 -8.166 1.00 0.00 N ATOM 0 H LYS B 55 -13.613 9.848 -9.569 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.698 9.801 -11.801 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.609 11.942 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.302 11.666 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.877 11.520 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.611 13.107 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.249 13.233 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.118 11.494 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.911 11.439 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.087 13.017 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.728 13.135 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.161 14.020 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -7.990 12.490 -7.331 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.779 9.173 -8.681 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.654 8.572 -7.912 1.00 0.00 C ATOM 2395 C VAL B 56 -9.308 7.220 -8.540 1.00 0.00 C ATOM 2396 O VAL B 56 -8.156 6.858 -8.675 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.064 8.426 -6.420 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.678 7.048 -6.135 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.837 8.612 -5.519 1.00 0.00 C ATOM 0 H VAL B 56 -11.607 9.408 -8.134 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.771 9.211 -7.949 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.810 9.193 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.952 6.983 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.567 6.911 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -9.951 6.270 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.133 8.508 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.090 7.856 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.415 9.604 -5.679 1.00 0.00 H new ATOM 2409 N MET B 57 -10.304 6.478 -8.932 1.00 0.00 N ATOM 2410 CA MET B 57 -10.044 5.155 -9.560 1.00 0.00 C ATOM 2411 C MET B 57 -9.301 5.362 -10.881 1.00 0.00 C ATOM 2412 O MET B 57 -8.442 4.584 -11.248 1.00 0.00 O ATOM 2413 CB MET B 57 -11.378 4.447 -9.825 1.00 0.00 C ATOM 2414 CG MET B 57 -11.884 3.800 -8.535 1.00 0.00 C ATOM 2415 SD MET B 57 -13.412 2.893 -8.881 1.00 0.00 S ATOM 2416 CE MET B 57 -13.126 1.523 -7.736 1.00 0.00 C ATOM 0 H MET B 57 -11.288 6.731 -8.844 1.00 0.00 H new ATOM 0 HA MET B 57 -9.437 4.543 -8.893 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.112 5.162 -10.197 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.251 3.689 -10.598 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.129 3.124 -8.133 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.064 4.563 -7.778 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.021 0.903 -7.679 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.290 0.921 -8.091 1.00 0.00 H new ATOM 0 HE3 MET B 57 -12.895 1.918 -6.747 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.620 6.403 -11.596 1.00 0.00 N ATOM 2427 CA GLU B 58 -8.927 6.655 -12.890 1.00 0.00 C ATOM 2428 C GLU B 58 -7.446 6.889 -12.620 1.00 0.00 C ATOM 2429 O GLU B 58 -6.598 6.601 -13.441 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.527 7.889 -13.571 1.00 0.00 C ATOM 2431 CG GLU B 58 -10.888 7.531 -14.172 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.686 6.719 -15.453 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -9.789 7.056 -16.209 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -11.432 5.776 -15.657 1.00 0.00 O ATOM 0 H GLU B 58 -10.330 7.090 -11.341 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.053 5.794 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.638 8.698 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.856 8.249 -14.351 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.474 6.957 -13.454 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.451 8.439 -14.390 1.00 0.00 H new ATOM 2441 N THR B 59 -7.130 7.410 -11.469 1.00 0.00 N ATOM 2442 CA THR B 59 -5.702 7.665 -11.132 1.00 0.00 C ATOM 2443 C THR B 59 -5.092 6.417 -10.496 1.00 0.00 C ATOM 2444 O THR B 59 -3.912 6.158 -10.632 1.00 0.00 O ATOM 2445 CB THR B 59 -5.609 8.830 -10.148 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.258 9.968 -10.698 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.139 9.154 -9.888 1.00 0.00 C ATOM 0 H THR B 59 -7.800 7.671 -10.745 1.00 0.00 H new ATOM 0 HA THR B 59 -5.157 7.911 -12.043 1.00 0.00 H new ATOM 0 HB THR B 59 -6.093 8.557 -9.210 1.00 0.00 H new ATOM 0 HG1 THR B 59 -5.940 10.777 -10.245 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.068 9.985 -9.186 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.643 8.280 -9.467 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.656 9.429 -10.826 1.00 0.00 H new ATOM 2455 N LEU B 60 -5.877 5.643 -9.786 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.320 4.417 -9.124 1.00 0.00 C ATOM 2457 C LEU B 60 -5.536 3.179 -10.004 1.00 0.00 C ATOM 2458 O LEU B 60 -4.642 2.369 -10.159 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.019 4.204 -7.766 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.236 4.883 -6.634 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.842 4.231 -6.452 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.086 6.377 -6.938 1.00 0.00 C ATOM 0 H LEU B 60 -6.873 5.804 -9.636 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.250 4.559 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.031 4.607 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.109 3.137 -7.562 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.790 4.756 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.309 4.732 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.963 3.176 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.272 4.327 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.530 6.858 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.548 6.505 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.073 6.833 -7.020 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.696 3.000 -10.570 1.00 0.00 N ATOM 2475 CA ASP B 61 -6.918 1.789 -11.413 1.00 0.00 C ATOM 2476 C ASP B 61 -5.868 1.712 -12.508 1.00 0.00 C ATOM 2477 O ASP B 61 -5.843 2.501 -13.431 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.307 1.841 -12.039 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.358 1.907 -10.932 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -9.060 2.468 -9.892 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.442 1.390 -11.142 1.00 0.00 O ATOM 0 H ASP B 61 -7.493 3.631 -10.488 1.00 0.00 H new ATOM 0 HA ASP B 61 -6.839 0.904 -10.782 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -8.393 2.711 -12.690 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.472 0.961 -12.660 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.004 0.744 -12.408 1.00 0.00 N ATOM 2487 CA GLU B 62 -3.944 0.574 -13.435 1.00 0.00 C ATOM 2488 C GLU B 62 -4.531 -0.215 -14.591 1.00 0.00 C ATOM 2489 O GLU B 62 -4.331 0.104 -15.746 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.753 -0.180 -12.831 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.706 -0.476 -13.917 1.00 0.00 C ATOM 2492 CD GLU B 62 -2.107 -1.726 -14.708 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -2.508 -2.695 -14.084 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.006 -1.692 -15.923 1.00 0.00 O ATOM 0 H GLU B 62 -4.987 0.058 -11.653 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.594 1.545 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.304 0.413 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.094 -1.112 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.618 0.377 -14.590 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.728 -0.624 -13.459 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.281 -1.230 -14.285 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.914 -2.029 -15.358 1.00 0.00 C ATOM 2503 C ASP B 63 -7.194 -1.316 -15.780 1.00 0.00 C ATOM 2504 O ASP B 63 -7.895 -1.754 -16.671 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.255 -3.425 -14.830 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.921 -3.304 -13.458 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.169 -2.186 -13.037 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.171 -4.332 -12.850 1.00 0.00 O ATOM 0 H ASP B 63 -5.483 -1.540 -13.335 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.236 -2.131 -16.205 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.921 -3.936 -15.525 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.350 -4.028 -14.755 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.515 -0.218 -15.139 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.763 0.501 -15.512 1.00 0.00 C ATOM 2515 C GLY B 64 -9.921 -0.472 -15.346 1.00 0.00 C ATOM 2516 O GLY B 64 -10.794 -0.572 -16.186 1.00 0.00 O ATOM 0 H GLY B 64 -6.973 0.203 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.905 1.377 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.707 0.858 -16.540 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.918 -1.210 -14.269 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.003 -2.211 -14.038 1.00 0.00 C ATOM 2522 C ASP B 65 -12.093 -1.603 -13.162 1.00 0.00 C ATOM 2523 O ASP B 65 -13.108 -2.221 -12.907 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.416 -3.437 -13.336 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.726 -3.004 -12.041 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.584 -1.809 -11.839 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.350 -3.876 -11.273 1.00 0.00 O ATOM 0 H ASP B 65 -9.210 -1.164 -13.536 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.434 -2.502 -14.996 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.205 -4.156 -13.117 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.702 -3.937 -13.991 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.895 -0.410 -12.682 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.936 0.200 -11.809 1.00 0.00 C ATOM 2534 C GLY B 66 -12.907 -0.526 -10.469 1.00 0.00 C ATOM 2535 O GLY B 66 -13.721 -0.295 -9.598 1.00 0.00 O ATOM 0 H GLY B 66 -11.069 0.164 -12.852 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.743 1.264 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.920 0.112 -12.270 1.00 0.00 H new ATOM 2539 N GLU B 67 -11.952 -1.407 -10.309 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.808 -2.177 -9.038 1.00 0.00 C ATOM 2541 C GLU B 67 -10.358 -2.053 -8.579 1.00 0.00 C ATOM 2542 O GLU B 67 -9.499 -1.658 -9.344 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.142 -3.649 -9.288 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.590 -3.772 -9.768 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.966 -5.251 -9.885 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.078 -6.050 -10.135 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.135 -5.560 -9.722 1.00 0.00 O ATOM 0 H GLU B 67 -11.254 -1.628 -11.019 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.485 -1.788 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.464 -4.065 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.001 -4.225 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.260 -3.270 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.707 -3.279 -10.733 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.076 -2.360 -7.336 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.672 -2.232 -6.826 1.00 0.00 C ATOM 2556 C CYS B 68 -8.198 -3.533 -6.173 1.00 0.00 C ATOM 2557 O CYS B 68 -8.519 -3.819 -5.036 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.618 -1.094 -5.797 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.706 0.250 -6.331 1.00 0.00 S ATOM 0 H CYS B 68 -10.756 -2.693 -6.652 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.014 -2.016 -7.668 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -8.927 -1.459 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.596 -0.730 -5.694 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.178 0.855 -7.353 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.456 -4.333 -6.895 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.955 -5.615 -6.316 1.00 0.00 C ATOM 2567 C ASP B 69 -6.222 -5.306 -5.002 1.00 0.00 C ATOM 2568 O ASP B 69 -6.333 -4.225 -4.468 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.000 -6.283 -7.310 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.838 -7.762 -6.953 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.829 -8.375 -6.596 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.727 -8.257 -7.049 1.00 0.00 O ATOM 0 H ASP B 69 -7.176 -4.154 -7.859 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.786 -6.292 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.387 -6.184 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.031 -5.785 -7.289 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.476 -6.234 -4.462 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.773 -5.953 -3.169 1.00 0.00 C ATOM 2579 C PHE B 70 -3.526 -5.074 -3.399 1.00 0.00 C ATOM 2580 O PHE B 70 -3.196 -4.235 -2.584 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.360 -7.287 -2.483 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.683 -8.471 -3.375 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -6.015 -8.766 -3.689 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -3.654 -9.278 -3.881 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -6.316 -9.863 -4.508 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -3.956 -10.373 -4.699 1.00 0.00 C ATOM 2587 CZ PHE B 70 -5.287 -10.665 -5.012 1.00 0.00 C ATOM 0 H PHE B 70 -5.322 -7.164 -4.852 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.461 -5.412 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.293 -7.273 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -4.882 -7.389 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -6.811 -8.148 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.626 -9.054 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -7.344 -10.089 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.161 -10.992 -5.088 1.00 0.00 H new ATOM 0 HZ PHE B 70 -5.521 -11.510 -5.643 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.823 -5.272 -4.477 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.595 -4.463 -4.723 1.00 0.00 C ATOM 2599 C GLN B 71 -1.990 -3.038 -5.114 1.00 0.00 C ATOM 2600 O GLN B 71 -1.277 -2.088 -4.844 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.752 -5.115 -5.842 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.666 -5.875 -6.814 1.00 0.00 C ATOM 2603 CD GLN B 71 -1.996 -7.258 -6.248 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -3.022 -7.443 -5.627 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.162 -8.244 -6.439 1.00 0.00 N ATOM 0 H GLN B 71 -3.044 -5.958 -5.199 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.996 -4.426 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.192 -4.350 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.022 -5.798 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.584 -5.312 -6.979 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.176 -5.977 -7.783 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.300 -8.089 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.373 -9.170 -6.066 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.128 -2.871 -5.720 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.576 -1.508 -6.105 1.00 0.00 C ATOM 2616 C GLU B 72 -4.373 -0.928 -4.940 1.00 0.00 C ATOM 2617 O GLU B 72 -4.216 0.218 -4.572 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.447 -1.634 -7.359 1.00 0.00 C ATOM 2619 CG GLU B 72 -4.922 -0.255 -7.851 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.191 -0.421 -8.692 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -6.182 -1.258 -9.580 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.147 0.291 -8.436 1.00 0.00 O ATOM 0 H GLU B 72 -3.771 -3.624 -5.967 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.736 -0.848 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.882 -2.129 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.311 -2.263 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.119 0.398 -7.001 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.140 0.221 -8.443 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.224 -1.717 -4.346 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.019 -1.212 -3.195 1.00 0.00 C ATOM 2631 C PHE B 73 -5.072 -0.594 -2.176 1.00 0.00 C ATOM 2632 O PHE B 73 -5.322 0.461 -1.637 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.794 -2.368 -2.551 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.376 -1.933 -1.221 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.250 -0.840 -1.162 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.040 -2.623 -0.046 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.785 -0.437 0.067 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.575 -2.219 1.180 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.447 -1.127 1.238 1.00 0.00 C ATOM 0 H PHE B 73 -5.402 -2.687 -4.607 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.730 -0.461 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.593 -2.695 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.132 -3.222 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.511 -0.308 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.367 -3.467 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.458 0.406 0.112 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.315 -2.750 2.084 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.860 -0.816 2.186 1.00 0.00 H new ATOM 2649 N MET B 74 -3.972 -1.221 -1.915 1.00 0.00 N ATOM 2650 CA MET B 74 -3.032 -0.620 -0.948 1.00 0.00 C ATOM 2651 C MET B 74 -2.596 0.719 -1.534 1.00 0.00 C ATOM 2652 O MET B 74 -2.523 1.723 -0.853 1.00 0.00 O ATOM 2653 CB MET B 74 -1.828 -1.554 -0.757 1.00 0.00 C ATOM 2654 CG MET B 74 -1.134 -1.296 0.604 1.00 0.00 C ATOM 2655 SD MET B 74 -1.541 -2.626 1.775 1.00 0.00 S ATOM 2656 CE MET B 74 0.085 -2.768 2.566 1.00 0.00 C ATOM 0 H MET B 74 -3.685 -2.111 -2.322 1.00 0.00 H new ATOM 0 HA MET B 74 -3.494 -0.473 0.028 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.157 -2.592 -0.810 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.115 -1.403 -1.567 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.054 -1.241 0.466 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.453 -0.335 1.008 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.099 -3.645 3.214 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.854 -2.870 1.801 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.280 -1.875 3.160 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.300 0.728 -2.803 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.857 2.001 -3.447 1.00 0.00 C ATOM 2668 C ALA B 75 -2.879 3.104 -3.155 1.00 0.00 C ATOM 2669 O ALA B 75 -2.578 4.277 -3.251 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.719 1.798 -4.957 1.00 0.00 C ATOM 0 H ALA B 75 -2.344 -0.083 -3.420 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.889 2.295 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.396 2.730 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.982 1.020 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.681 1.500 -5.373 1.00 0.00 H new ATOM 2676 N PHE B 76 -4.079 2.747 -2.784 1.00 0.00 N ATOM 2677 CA PHE B 76 -5.088 3.805 -2.474 1.00 0.00 C ATOM 2678 C PHE B 76 -4.743 4.415 -1.117 1.00 0.00 C ATOM 2679 O PHE B 76 -4.549 5.607 -1.001 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.509 3.220 -2.447 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.479 4.245 -1.892 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.623 5.490 -2.519 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.234 3.950 -0.747 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.519 6.435 -2.003 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.128 4.895 -0.232 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.270 6.138 -0.859 1.00 0.00 C ATOM 0 H PHE B 76 -4.403 1.785 -2.683 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.062 4.570 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.811 2.928 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.529 2.319 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.043 5.721 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.125 2.991 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.631 7.394 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.708 4.665 0.649 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.959 6.868 -0.461 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.635 3.612 -0.092 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.272 4.178 1.237 1.00 0.00 C ATOM 2698 C VAL B 77 -2.961 4.949 1.082 1.00 0.00 C ATOM 2699 O VAL B 77 -2.718 5.941 1.734 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.082 3.050 2.257 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.443 3.612 3.529 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.439 2.441 2.607 1.00 0.00 C ATOM 0 H VAL B 77 -4.780 2.603 -0.117 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.066 4.836 1.590 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.436 2.284 1.828 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.308 2.809 4.254 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.474 4.049 3.287 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.091 4.379 3.953 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.302 1.639 3.332 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.084 3.210 3.033 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.901 2.039 1.705 1.00 0.00 H new ATOM 2712 N SER B 78 -2.123 4.501 0.204 1.00 0.00 N ATOM 2713 CA SER B 78 -0.835 5.197 -0.025 1.00 0.00 C ATOM 2714 C SER B 78 -1.135 6.584 -0.573 1.00 0.00 C ATOM 2715 O SER B 78 -0.417 7.534 -0.342 1.00 0.00 O ATOM 2716 CB SER B 78 -0.031 4.409 -1.050 1.00 0.00 C ATOM 2717 OG SER B 78 1.299 4.908 -1.097 1.00 0.00 O ATOM 0 H SER B 78 -2.275 3.673 -0.372 1.00 0.00 H new ATOM 0 HA SER B 78 -0.267 5.277 0.902 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.024 3.351 -0.787 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.496 4.490 -2.033 1.00 0.00 H new ATOM 0 HG SER B 78 1.827 4.373 -1.725 1.00 0.00 H new ATOM 2723 N MET B 79 -2.204 6.696 -1.304 1.00 0.00 N ATOM 2724 CA MET B 79 -2.583 8.009 -1.887 1.00 0.00 C ATOM 2725 C MET B 79 -3.201 8.896 -0.811 1.00 0.00 C ATOM 2726 O MET B 79 -3.043 10.100 -0.826 1.00 0.00 O ATOM 2727 CB MET B 79 -3.597 7.791 -3.014 1.00 0.00 C ATOM 2728 CG MET B 79 -3.840 9.104 -3.777 1.00 0.00 C ATOM 2729 SD MET B 79 -5.523 9.097 -4.452 1.00 0.00 S ATOM 2730 CE MET B 79 -5.131 9.759 -6.087 1.00 0.00 C ATOM 0 H MET B 79 -2.837 5.928 -1.525 1.00 0.00 H new ATOM 0 HA MET B 79 -1.693 8.496 -2.284 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.230 7.027 -3.699 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.536 7.424 -2.601 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.706 9.956 -3.111 1.00 0.00 H new ATOM 0 HG3 MET B 79 -3.113 9.211 -4.582 1.00 0.00 H new ATOM 0 HE1 MET B 79 -6.024 9.738 -6.712 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.781 10.787 -5.989 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.351 9.152 -6.548 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.882 8.319 0.142 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.472 9.146 1.223 1.00 0.00 C ATOM 2742 C VAL B 80 -3.387 9.300 2.267 1.00 0.00 C ATOM 2743 O VAL B 80 -3.268 10.320 2.916 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.741 8.482 1.817 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.470 7.697 0.729 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.391 7.523 2.967 1.00 0.00 C ATOM 0 H VAL B 80 -4.052 7.316 0.215 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.797 10.116 0.846 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.378 9.276 2.206 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.361 7.232 1.151 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.760 8.373 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.810 6.925 0.334 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.305 7.076 3.359 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.732 6.737 2.598 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.888 8.075 3.761 1.00 0.00 H new ATOM 2756 N THR B 81 -2.569 8.289 2.420 1.00 0.00 N ATOM 2757 CA THR B 81 -1.475 8.396 3.406 1.00 0.00 C ATOM 2758 C THR B 81 -0.501 9.436 2.892 1.00 0.00 C ATOM 2759 O THR B 81 0.047 10.215 3.645 1.00 0.00 O ATOM 2760 CB THR B 81 -0.746 7.056 3.546 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.683 6.026 3.818 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.268 7.143 4.687 1.00 0.00 C ATOM 0 H THR B 81 -2.617 7.408 1.907 1.00 0.00 H new ATOM 0 HA THR B 81 -1.877 8.673 4.380 1.00 0.00 H new ATOM 0 HB THR B 81 -0.226 6.830 2.615 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.422 6.078 3.176 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.787 6.189 4.786 1.00 0.00 H new ATOM 0 HG22 THR B 81 0.992 7.929 4.471 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.251 7.373 5.618 1.00 0.00 H new ATOM 2770 N THR B 82 -0.265 9.453 1.605 1.00 0.00 N ATOM 2771 CA THR B 82 0.694 10.445 1.051 1.00 0.00 C ATOM 2772 C THR B 82 0.198 11.862 1.333 1.00 0.00 C ATOM 2773 O THR B 82 0.973 12.734 1.671 1.00 0.00 O ATOM 2774 CB THR B 82 0.827 10.227 -0.461 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.462 10.008 -1.012 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.724 9.006 -0.749 1.00 0.00 C ATOM 0 H THR B 82 -0.692 8.827 0.922 1.00 0.00 H new ATOM 0 HA THR B 82 1.667 10.315 1.524 1.00 0.00 H new ATOM 0 HB THR B 82 1.281 11.109 -0.912 1.00 0.00 H new ATOM 0 HG1 THR B 82 -1.143 10.365 -0.404 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.809 8.863 -1.826 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.714 9.174 -0.326 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.283 8.116 -0.299 1.00 0.00 H new ATOM 2784 N ALA B 83 -1.080 12.111 1.214 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.581 13.481 1.498 1.00 0.00 C ATOM 2786 C ALA B 83 -1.261 13.818 2.949 1.00 0.00 C ATOM 2787 O ALA B 83 -0.865 14.920 3.271 1.00 0.00 O ATOM 2788 CB ALA B 83 -3.095 13.527 1.282 1.00 0.00 C ATOM 0 H ALA B 83 -1.788 11.432 0.936 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.106 14.201 0.832 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.462 14.532 1.490 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.323 13.264 0.249 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.580 12.817 1.952 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.418 12.867 3.828 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.110 13.130 5.261 1.00 0.00 C ATOM 2796 C CYS B 84 0.379 13.451 5.398 1.00 0.00 C ATOM 2797 O CYS B 84 0.801 14.116 6.323 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.446 11.892 6.094 1.00 0.00 C ATOM 2799 SG CYS B 84 -0.920 12.158 7.806 1.00 0.00 S ATOM 0 H CYS B 84 -1.745 11.924 3.617 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.704 13.972 5.617 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.518 11.695 6.058 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.947 11.016 5.681 1.00 0.00 H new ATOM 0 HG CYS B 84 0.000 13.076 7.840 1.00 0.00 H new ATOM 2805 N HIS B 85 1.181 12.982 4.477 1.00 0.00 N ATOM 2806 CA HIS B 85 2.650 13.254 4.537 1.00 0.00 C ATOM 2807 C HIS B 85 2.983 14.458 3.652 1.00 0.00 C ATOM 2808 O HIS B 85 3.880 15.223 3.943 1.00 0.00 O ATOM 2809 CB HIS B 85 3.408 12.030 4.028 1.00 0.00 C ATOM 2810 CG HIS B 85 4.887 12.245 4.199 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.543 11.978 5.390 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.849 12.700 3.334 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.845 12.270 5.209 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.086 12.715 3.972 1.00 0.00 N ATOM 0 H HIS B 85 0.880 12.419 3.681 1.00 0.00 H new ATOM 0 HA HIS B 85 2.940 13.467 5.566 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.094 11.141 4.576 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.175 11.856 2.978 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.117 11.625 6.247 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.673 13.001 2.312 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.602 12.158 5.971 1.00 0.00 H new ATOM 2822 N GLU B 86 2.268 14.631 2.573 1.00 0.00 N ATOM 2823 CA GLU B 86 2.547 15.785 1.673 1.00 0.00 C ATOM 2824 C GLU B 86 1.931 17.049 2.269 1.00 0.00 C ATOM 2825 O GLU B 86 2.542 18.099 2.293 1.00 0.00 O ATOM 2826 CB GLU B 86 1.936 15.521 0.295 1.00 0.00 C ATOM 2827 CG GLU B 86 2.178 16.728 -0.615 1.00 0.00 C ATOM 2828 CD GLU B 86 1.764 16.380 -2.045 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.117 15.304 -2.499 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.101 17.196 -2.664 1.00 0.00 O ATOM 0 H GLU B 86 1.504 14.024 2.277 1.00 0.00 H new ATOM 0 HA GLU B 86 3.624 15.915 1.571 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.378 14.627 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.866 15.334 0.390 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.608 17.586 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.230 17.012 -0.589 1.00 0.00 H new ATOM 2837 N PHE B 87 0.727 16.954 2.756 1.00 0.00 N ATOM 2838 CA PHE B 87 0.070 18.148 3.357 1.00 0.00 C ATOM 2839 C PHE B 87 0.942 18.679 4.495 1.00 0.00 C ATOM 2840 O PHE B 87 1.103 19.871 4.664 1.00 0.00 O ATOM 2841 CB PHE B 87 -1.305 17.757 3.904 1.00 0.00 C ATOM 2842 CG PHE B 87 -2.010 18.992 4.416 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -2.539 19.921 3.511 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.136 19.210 5.795 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -3.192 21.065 3.983 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.790 20.354 6.266 1.00 0.00 C ATOM 2847 CZ PHE B 87 -3.318 21.281 5.360 1.00 0.00 C ATOM 0 H PHE B 87 0.168 16.101 2.764 1.00 0.00 H new ATOM 0 HA PHE B 87 -0.053 18.920 2.597 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.899 17.284 3.122 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.196 17.028 4.707 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -2.443 19.754 2.448 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.728 18.495 6.494 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.599 21.781 3.285 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -2.887 20.522 7.328 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.823 22.164 5.724 1.00 0.00 H new ATOM 2857 N PHE B 88 1.509 17.800 5.277 1.00 0.00 N ATOM 2858 CA PHE B 88 2.375 18.252 6.403 1.00 0.00 C ATOM 2859 C PHE B 88 3.695 18.789 5.845 1.00 0.00 C ATOM 2860 O PHE B 88 4.207 19.794 6.295 1.00 0.00 O ATOM 2861 CB PHE B 88 2.657 17.070 7.333 1.00 0.00 C ATOM 2862 CG PHE B 88 3.378 17.558 8.567 1.00 0.00 C ATOM 2863 CD1 PHE B 88 2.680 18.282 9.543 1.00 0.00 C ATOM 2864 CD2 PHE B 88 4.742 17.288 8.740 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.345 18.735 10.688 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.407 17.741 9.886 1.00 0.00 C ATOM 2867 CZ PHE B 88 4.709 18.464 10.861 1.00 0.00 C ATOM 0 H PHE B 88 1.410 16.789 5.185 1.00 0.00 H new ATOM 0 HA PHE B 88 1.868 19.040 6.960 1.00 0.00 H new ATOM 0 HB2 PHE B 88 1.723 16.584 7.614 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.262 16.324 6.817 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.628 18.490 9.411 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.281 16.730 7.989 1.00 0.00 H new ATOM 0 HE1 PHE B 88 2.807 19.294 11.439 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.458 17.533 10.018 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.221 18.812 11.746 1.00 0.00 H new