USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN :FLIP amide:sc= 1.07 F(o=-2!,f=2.4) USER MOD Set 1.2: B 58 THR OG1 : rot -38:sc= 1.31 USER MOD Set 2.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 22 ASN : amide:sc=9.53e-05 X(o=9.5e-05,f=0) USER MOD Set 3.1: B 7 TYR OH : rot 32:sc= 0.163 USER MOD Set 3.2: B 28 SER OG : rot 33:sc= 0.0835 USER MOD Set 4.1: A 48 ASN : amide:sc= 0.00354 X(o=-0.033,f=0) USER MOD Set 4.2: B 1 MET CE :methyl -173:sc= -0.037 (180deg=0) USER MOD Set 5.1: A 54 THR OG1 : rot 165:sc= 0.717 USER MOD Set 5.2: B 46 LYS NZ :NH3+ -150:sc= 1.61 (180deg=-0.3) USER MOD Set 6.1: A 46 LYS NZ :NH3+ -158:sc= 1.67 (180deg=-0.0916) USER MOD Set 6.2: B 54 THR OG1 : rot 165:sc= 0.632 USER MOD Set 7.1: A 7 TYR OH : rot 180:sc= 0.446 USER MOD Set 7.2: A 28 SER OG : rot 29:sc= -0.0598 USER MOD Single : A 1 MET CE :methyl 159:sc= -1.14 (180deg=-2.57!) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0943 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 3 LYS NZ :NH3+ -141:sc= -0.376 (180deg=-2.43!) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= 0.794 (180deg=0.683) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 0.321 (180deg=0.109) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 22 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 25 THR OG1 : rot 130:sc= -0.381 USER MOD Single : A 26 MET CE :methyl -155:sc= -4.72! (180deg=-6.46!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 47:sc= 0.372 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.145) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.453 (180deg=0.281) USER MOD Single : A 37 SER OG : rot -140:sc= -0.01 USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.132 F(o=-0.5,f=0.13) USER MOD Single : A 44 SER OG : rot 110:sc= -0.484 USER MOD Single : A 49 SER OG : rot 36:sc= -0.24 USER MOD Single : A 58 THR OG1 : rot -46:sc= 0.393 USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00226 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000573 USER MOD Single : B 1 MET N :NH3+ -112:sc= 0.116 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -178:sc= 0.149 (180deg=0.129) USER MOD Single : B 8 GLN : amide:sc= -1.08 K(o=-1.1,f=-2!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot 165:sc= 0.313 USER MOD Single : B 19 LYS NZ :NH3+ -154:sc= 0.595 (180deg=0.123) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.167 USER MOD Single : B 26 MET CE :methyl -153:sc= -5.09! (180deg=-7.38!) USER MOD Single : B 29 SER OG : rot -53:sc= 1.24 USER MOD Single : B 32 TYR OH : rot 45:sc= 0.196 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -140:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.014) USER MOD Single : B 44 SER OG : rot -120:sc= -0.384 USER MOD Single : B 48 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.66) USER MOD Single : B 49 SER OG : rot 43:sc= -0.13 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : B 60 MET CE :methyl 164:sc= -0.119 (180deg=-0.545) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.512 7.749 11.763 1.00 0.00 N ATOM 2 CA MET A 1 -10.961 8.064 10.418 1.00 0.00 C ATOM 3 C MET A 1 -10.159 6.869 9.893 1.00 0.00 C ATOM 4 O MET A 1 -9.689 6.040 10.681 1.00 0.00 O ATOM 5 CB MET A 1 -10.068 9.336 10.487 1.00 0.00 C ATOM 6 CG MET A 1 -9.522 9.849 9.143 1.00 0.00 C ATOM 7 SD MET A 1 -8.361 11.222 9.336 1.00 0.00 S ATOM 8 CE MET A 1 -7.069 10.463 10.328 1.00 0.00 C ATOM 0 H1 MET A 1 -12.544 7.640 11.698 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.091 6.864 12.112 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.286 8.523 12.420 1.00 0.00 H new ATOM 0 HA MET A 1 -11.784 8.261 9.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.644 10.136 10.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.224 9.128 11.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.026 9.030 8.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.354 10.169 8.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.145 11.031 10.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.370 10.458 11.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.907 9.439 9.993 1.00 0.00 H new ATOM 18 N TYR A 2 -10.009 6.778 8.555 1.00 0.00 N ATOM 19 CA TYR A 2 -9.159 5.765 7.920 1.00 0.00 C ATOM 20 C TYR A 2 -7.671 5.998 8.245 1.00 0.00 C ATOM 21 O TYR A 2 -7.246 7.125 8.536 1.00 0.00 O ATOM 22 CB TYR A 2 -9.398 5.694 6.390 1.00 0.00 C ATOM 23 CG TYR A 2 -9.548 7.035 5.649 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.459 7.893 5.452 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.784 7.434 5.134 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.606 9.086 4.773 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.929 8.623 4.454 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.843 9.445 4.278 1.00 0.00 C ATOM 29 OH TYR A 2 -9.999 10.636 3.602 1.00 0.00 O ATOM 0 H TYR A 2 -10.472 7.402 7.894 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.441 4.798 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.568 5.149 5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.298 5.106 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.489 7.617 5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.645 6.796 5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.756 9.736 4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.894 8.908 4.061 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.933 10.733 3.321 1.00 0.00 H new ATOM 39 N LYS A 3 -6.893 4.913 8.145 1.00 0.00 N ATOM 40 CA LYS A 3 -5.527 4.843 8.667 1.00 0.00 C ATOM 41 C LYS A 3 -4.798 3.614 8.109 1.00 0.00 C ATOM 42 O LYS A 3 -5.361 2.836 7.323 1.00 0.00 O ATOM 43 CB LYS A 3 -5.503 4.865 10.246 1.00 0.00 C ATOM 44 CG LYS A 3 -6.623 4.093 10.997 1.00 0.00 C ATOM 45 CD LYS A 3 -6.664 2.564 10.732 1.00 0.00 C ATOM 46 CE LYS A 3 -7.661 1.861 11.666 1.00 0.00 C ATOM 47 NZ LYS A 3 -7.936 0.463 11.289 1.00 0.00 N ATOM 0 H LYS A 3 -7.200 4.051 7.694 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.994 5.733 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.543 4.465 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.540 5.906 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.500 4.257 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.586 4.520 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.943 2.380 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.669 2.141 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.271 1.884 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.598 2.419 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.945 0.257 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.693 0.319 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.364 -0.175 11.879 1.00 0.00 H new ATOM 61 N PHE A 4 -3.544 3.452 8.544 1.00 0.00 N ATOM 62 CA PHE A 4 -2.674 2.359 8.123 1.00 0.00 C ATOM 63 C PHE A 4 -2.579 1.311 9.231 1.00 0.00 C ATOM 64 O PHE A 4 -2.092 1.599 10.320 1.00 0.00 O ATOM 65 CB PHE A 4 -1.275 2.899 7.772 1.00 0.00 C ATOM 66 CG PHE A 4 -1.234 3.742 6.500 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.692 5.059 6.492 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.724 3.215 5.314 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.642 5.817 5.342 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.674 3.973 4.168 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.132 5.272 4.180 1.00 0.00 C ATOM 0 H PHE A 4 -3.102 4.088 9.208 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.097 1.891 7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.909 3.499 8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.590 2.058 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.091 5.490 7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.363 2.197 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.001 6.836 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.275 3.550 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.092 5.866 3.279 1.00 0.00 H new ATOM 81 N GLU A 5 -3.049 0.103 8.922 1.00 0.00 N ATOM 82 CA GLU A 5 -3.014 -1.035 9.838 1.00 0.00 C ATOM 83 C GLU A 5 -1.751 -1.848 9.554 1.00 0.00 C ATOM 84 O GLU A 5 -1.642 -2.452 8.474 1.00 0.00 O ATOM 85 CB GLU A 5 -4.248 -1.946 9.647 1.00 0.00 C ATOM 86 CG GLU A 5 -5.614 -1.274 9.748 1.00 0.00 C ATOM 87 CD GLU A 5 -6.776 -2.272 9.597 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.715 -3.153 8.713 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.776 -2.158 10.332 1.00 0.00 O ATOM 0 H GLU A 5 -3.469 -0.115 8.018 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.018 -0.661 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.173 -2.421 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.203 -2.741 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.696 -0.769 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.696 -0.507 8.978 1.00 0.00 H new ATOM 96 N ILE A 6 -0.818 -1.867 10.512 1.00 0.00 N ATOM 97 CA ILE A 6 0.438 -2.611 10.394 1.00 0.00 C ATOM 98 C ILE A 6 0.304 -3.878 11.212 1.00 0.00 C ATOM 99 O ILE A 6 0.095 -3.824 12.426 1.00 0.00 O ATOM 100 CB ILE A 6 1.669 -1.812 10.933 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.730 -0.404 10.287 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.990 -2.607 10.693 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.757 0.512 10.909 1.00 0.00 C ATOM 0 H ILE A 6 -0.915 -1.364 11.394 1.00 0.00 H new ATOM 0 HA ILE A 6 0.612 -2.811 9.337 1.00 0.00 H new ATOM 0 HB ILE A 6 1.553 -1.680 12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.950 -0.512 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.748 0.063 10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.834 -2.033 11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.938 -3.565 11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.122 -2.779 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.738 1.477 10.402 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.527 0.652 11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.748 0.069 10.809 1.00 0.00 H new ATOM 115 N TYR A 7 0.431 -5.003 10.553 1.00 0.00 N ATOM 116 CA TYR A 7 0.336 -6.296 11.199 1.00 0.00 C ATOM 117 C TYR A 7 1.414 -7.219 10.648 1.00 0.00 C ATOM 118 O TYR A 7 2.216 -6.820 9.797 1.00 0.00 O ATOM 119 CB TYR A 7 -1.094 -6.880 11.035 1.00 0.00 C ATOM 120 CG TYR A 7 -1.582 -7.000 9.592 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.132 -5.903 8.913 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.495 -8.208 8.908 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.565 -6.019 7.609 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.931 -8.319 7.612 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.464 -7.229 6.968 1.00 0.00 C ATOM 126 OH TYR A 7 -2.884 -7.355 5.668 1.00 0.00 O ATOM 0 H TYR A 7 0.604 -5.052 9.549 1.00 0.00 H new ATOM 0 HA TYR A 7 0.508 -6.191 12.270 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.122 -7.868 11.495 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.792 -6.251 11.588 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.218 -4.953 9.419 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.078 -9.072 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.980 -5.164 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.855 -9.265 7.097 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.741 -8.276 5.366 1.00 0.00 H new ATOM 136 N GLN A 8 1.460 -8.428 11.178 1.00 0.00 N ATOM 137 CA GLN A 8 2.216 -9.523 10.588 1.00 0.00 C ATOM 138 C GLN A 8 1.233 -10.665 10.338 1.00 0.00 C ATOM 139 O GLN A 8 0.190 -10.769 11.003 1.00 0.00 O ATOM 140 CB GLN A 8 3.428 -9.958 11.484 1.00 0.00 C ATOM 141 CG GLN A 8 3.116 -10.910 12.655 1.00 0.00 C ATOM 142 CD GLN A 8 4.216 -10.927 13.733 1.00 0.00 C ATOM 143 OE1 GLN A 8 5.289 -11.663 13.491 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 4.137 -10.224 14.740 1.00 0.00 N flip ATOM 0 H GLN A 8 0.971 -8.682 12.036 1.00 0.00 H new ATOM 0 HA GLN A 8 2.668 -9.207 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.169 -10.437 10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.891 -9.059 11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.172 -10.615 13.113 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.980 -11.920 12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.301 -9.664 14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.908 -10.201 15.408 1.00 0.00 H new ATOM 153 N ASP A 9 1.549 -11.472 9.345 1.00 0.00 N ATOM 154 CA ASP A 9 0.811 -12.691 9.026 1.00 0.00 C ATOM 155 C ASP A 9 1.285 -13.783 9.999 1.00 0.00 C ATOM 156 O ASP A 9 2.364 -13.627 10.584 1.00 0.00 O ATOM 157 CB ASP A 9 1.098 -13.045 7.551 1.00 0.00 C ATOM 158 CG ASP A 9 0.303 -14.240 7.028 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.920 -14.107 6.811 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.888 -15.322 6.814 1.00 0.00 O ATOM 0 H ASP A 9 2.339 -11.301 8.723 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.267 -12.578 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.877 -12.176 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.162 -13.254 7.439 1.00 0.00 H new ATOM 165 N LYS A 10 0.491 -14.875 10.159 1.00 0.00 N ATOM 166 CA LYS A 10 0.817 -16.002 11.078 1.00 0.00 C ATOM 167 C LYS A 10 2.221 -16.586 10.773 1.00 0.00 C ATOM 168 O LYS A 10 2.961 -16.972 11.679 1.00 0.00 O ATOM 169 CB LYS A 10 -0.299 -17.106 11.076 1.00 0.00 C ATOM 170 CG LYS A 10 -0.290 -18.151 9.931 1.00 0.00 C ATOM 171 CD LYS A 10 -0.673 -17.595 8.543 1.00 0.00 C ATOM 172 CE LYS A 10 -2.106 -17.053 8.462 1.00 0.00 C ATOM 173 NZ LYS A 10 -2.449 -16.603 7.085 1.00 0.00 N ATOM 0 H LYS A 10 -0.389 -15.000 9.658 1.00 0.00 H new ATOM 0 HA LYS A 10 0.847 -15.600 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.236 -17.646 12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.266 -16.603 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.705 -18.592 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.979 -18.956 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.022 -16.798 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.551 -18.384 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.806 -17.827 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.219 -16.220 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.476 -16.452 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.953 -15.713 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.158 -17.329 6.400 1.00 0.00 H new ATOM 187 N ALA A 11 2.581 -16.576 9.471 1.00 0.00 N ATOM 188 CA ALA A 11 3.930 -16.934 8.966 1.00 0.00 C ATOM 189 C ALA A 11 5.075 -16.000 9.501 1.00 0.00 C ATOM 190 O ALA A 11 6.245 -16.207 9.164 1.00 0.00 O ATOM 191 CB ALA A 11 3.900 -16.935 7.423 1.00 0.00 C ATOM 0 H ALA A 11 1.934 -16.315 8.727 1.00 0.00 H new ATOM 0 HA ALA A 11 4.168 -17.928 9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.886 -17.197 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.170 -17.665 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.623 -15.944 7.064 1.00 0.00 H new ATOM 197 N GLY A 12 4.721 -15.007 10.350 1.00 0.00 N ATOM 198 CA GLY A 12 5.654 -14.026 10.919 1.00 0.00 C ATOM 199 C GLY A 12 6.010 -12.913 9.950 1.00 0.00 C ATOM 200 O GLY A 12 7.012 -12.215 10.141 1.00 0.00 O ATOM 0 H GLY A 12 3.759 -14.869 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.213 -13.592 11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.566 -14.537 11.227 1.00 0.00 H new ATOM 204 N GLU A 13 5.160 -12.707 8.933 1.00 0.00 N ATOM 205 CA GLU A 13 5.502 -11.855 7.771 1.00 0.00 C ATOM 206 C GLU A 13 4.799 -10.499 7.846 1.00 0.00 C ATOM 207 O GLU A 13 3.603 -10.424 7.625 1.00 0.00 O ATOM 208 CB GLU A 13 5.146 -12.581 6.448 1.00 0.00 C ATOM 209 CG GLU A 13 5.889 -13.915 6.237 1.00 0.00 C ATOM 210 CD GLU A 13 7.413 -13.800 6.409 1.00 0.00 C ATOM 211 OE1 GLU A 13 8.071 -13.161 5.558 1.00 0.00 O ATOM 212 OE2 GLU A 13 7.961 -14.340 7.402 1.00 0.00 O ATOM 0 H GLU A 13 4.227 -13.117 8.887 1.00 0.00 H new ATOM 0 HA GLU A 13 6.576 -11.672 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.073 -12.769 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.369 -11.918 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.506 -14.651 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.671 -14.289 5.237 1.00 0.00 H new ATOM 219 N TYR A 14 5.547 -9.453 8.221 1.00 0.00 N ATOM 220 CA TYR A 14 5.025 -8.075 8.300 1.00 0.00 C ATOM 221 C TYR A 14 4.499 -7.535 6.948 1.00 0.00 C ATOM 222 O TYR A 14 5.126 -7.691 5.898 1.00 0.00 O ATOM 223 CB TYR A 14 6.088 -7.111 8.888 1.00 0.00 C ATOM 224 CG TYR A 14 6.482 -7.456 10.327 1.00 0.00 C ATOM 225 CD1 TYR A 14 7.508 -8.365 10.600 1.00 0.00 C ATOM 226 CD2 TYR A 14 5.802 -6.897 11.411 1.00 0.00 C ATOM 227 CE1 TYR A 14 7.841 -8.700 11.894 1.00 0.00 C ATOM 228 CE2 TYR A 14 6.140 -7.228 12.708 1.00 0.00 C ATOM 229 CZ TYR A 14 7.155 -8.133 12.941 1.00 0.00 C ATOM 230 OH TYR A 14 7.494 -8.467 14.234 1.00 0.00 O ATOM 0 H TYR A 14 6.531 -9.534 8.479 1.00 0.00 H new ATOM 0 HA TYR A 14 4.168 -8.120 8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.978 -7.134 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.702 -6.092 8.858 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.050 -8.813 9.781 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.000 -6.196 11.232 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.637 -9.405 12.085 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.612 -6.780 13.537 1.00 0.00 H new ATOM 0 HH TYR A 14 6.917 -7.981 14.859 1.00 0.00 H new ATOM 240 N ARG A 15 3.337 -6.877 7.052 1.00 0.00 N ATOM 241 CA ARG A 15 2.668 -6.145 5.969 1.00 0.00 C ATOM 242 C ARG A 15 1.709 -5.128 6.571 1.00 0.00 C ATOM 243 O ARG A 15 1.048 -5.409 7.573 1.00 0.00 O ATOM 244 CB ARG A 15 1.910 -7.031 4.928 1.00 0.00 C ATOM 245 CG ARG A 15 0.755 -7.921 5.434 1.00 0.00 C ATOM 246 CD ARG A 15 1.232 -9.197 6.140 1.00 0.00 C ATOM 247 NE ARG A 15 2.177 -9.973 5.306 1.00 0.00 N ATOM 248 CZ ARG A 15 1.882 -11.075 4.601 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.640 -11.534 4.544 1.00 0.00 N ATOM 250 NH2 ARG A 15 2.839 -11.705 3.938 1.00 0.00 N ATOM 0 H ARG A 15 2.816 -6.839 7.928 1.00 0.00 H new ATOM 0 HA ARG A 15 3.466 -5.664 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.510 -6.372 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.642 -7.678 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.136 -7.344 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.122 -8.197 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.713 -8.932 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.371 -9.819 6.386 1.00 0.00 H new ATOM 0 HE ARG A 15 3.140 -9.639 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.107 -11.048 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.431 -12.373 4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.796 -11.352 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.620 -12.544 3.400 1.00 0.00 H new ATOM 264 N PHE A 16 1.654 -3.936 5.973 1.00 0.00 N ATOM 265 CA PHE A 16 0.637 -2.936 6.305 1.00 0.00 C ATOM 266 C PHE A 16 -0.363 -2.807 5.157 1.00 0.00 C ATOM 267 O PHE A 16 -0.214 -3.440 4.088 1.00 0.00 O ATOM 268 CB PHE A 16 1.263 -1.560 6.696 1.00 0.00 C ATOM 269 CG PHE A 16 2.199 -0.909 5.668 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.712 -0.062 4.668 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.573 -1.118 5.728 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.575 0.542 3.770 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.434 -0.511 4.834 1.00 0.00 C ATOM 274 CZ PHE A 16 3.933 0.317 3.855 1.00 0.00 C ATOM 0 H PHE A 16 2.309 -3.638 5.250 1.00 0.00 H new ATOM 0 HA PHE A 16 0.101 -3.280 7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.450 -0.864 6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.817 -1.691 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.650 0.123 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.975 -1.769 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.184 1.191 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.498 -0.686 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.604 0.791 3.153 1.00 0.00 H new ATOM 284 N ARG A 17 -1.422 -2.048 5.442 1.00 0.00 N ATOM 285 CA ARG A 17 -2.463 -1.674 4.479 1.00 0.00 C ATOM 286 C ARG A 17 -3.030 -0.292 4.801 1.00 0.00 C ATOM 287 O ARG A 17 -2.795 0.234 5.887 1.00 0.00 O ATOM 288 CB ARG A 17 -3.587 -2.743 4.477 1.00 0.00 C ATOM 289 CG ARG A 17 -4.248 -3.040 5.836 1.00 0.00 C ATOM 290 CD ARG A 17 -5.320 -4.140 5.709 1.00 0.00 C ATOM 291 NE ARG A 17 -4.787 -5.337 5.022 1.00 0.00 N ATOM 292 CZ ARG A 17 -5.478 -6.162 4.221 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.784 -6.005 4.033 1.00 0.00 N ATOM 294 NH2 ARG A 17 -4.852 -7.153 3.616 1.00 0.00 N ATOM 0 H ARG A 17 -1.585 -1.665 6.373 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.020 -1.628 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.363 -2.422 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.174 -3.673 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.488 -3.351 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.702 -2.130 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.678 -4.417 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.177 -3.753 5.157 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.802 -5.555 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.279 -5.246 4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.291 -6.643 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.851 -7.287 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.369 -7.785 3.005 1.00 0.00 H new ATOM 308 N PHE A 18 -3.797 0.270 3.852 1.00 0.00 N ATOM 309 CA PHE A 18 -4.522 1.543 4.043 1.00 0.00 C ATOM 310 C PHE A 18 -6.015 1.261 3.903 1.00 0.00 C ATOM 311 O PHE A 18 -6.452 0.576 2.963 1.00 0.00 O ATOM 312 CB PHE A 18 -4.074 2.627 3.035 1.00 0.00 C ATOM 313 CG PHE A 18 -4.737 3.999 3.165 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.999 4.569 4.411 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.059 4.733 2.028 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.575 5.821 4.508 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.628 5.979 2.123 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.889 6.524 3.361 1.00 0.00 C ATOM 0 H PHE A 18 -3.934 -0.143 2.930 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.297 1.936 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.996 2.759 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.259 2.253 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.749 4.025 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.858 4.315 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.779 6.249 5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.871 6.532 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.340 7.503 3.435 1.00 0.00 H new ATOM 328 N LYS A 19 -6.774 1.793 4.857 1.00 0.00 N ATOM 329 CA LYS A 19 -8.202 1.538 5.003 1.00 0.00 C ATOM 330 C LYS A 19 -9.038 2.693 4.448 1.00 0.00 C ATOM 331 O LYS A 19 -8.505 3.677 3.919 1.00 0.00 O ATOM 332 CB LYS A 19 -8.510 1.279 6.509 1.00 0.00 C ATOM 333 CG LYS A 19 -7.731 0.078 7.079 1.00 0.00 C ATOM 334 CD LYS A 19 -8.039 -1.230 6.301 1.00 0.00 C ATOM 335 CE LYS A 19 -9.446 -1.796 6.589 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.505 -2.501 7.892 1.00 0.00 N ATOM 0 H LYS A 19 -6.404 2.427 5.565 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.474 0.657 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.265 2.172 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.579 1.105 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.662 0.284 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.987 -0.055 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.944 -1.040 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.293 -1.982 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.172 -0.983 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.731 -2.483 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.353 -3.102 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.657 -3.092 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.546 -1.804 8.662 1.00 0.00 H new ATOM 350 N ALA A 20 -10.358 2.544 4.582 1.00 0.00 N ATOM 351 CA ALA A 20 -11.350 3.558 4.213 1.00 0.00 C ATOM 352 C ALA A 20 -12.375 3.676 5.359 1.00 0.00 C ATOM 353 O ALA A 20 -12.437 2.789 6.210 1.00 0.00 O ATOM 354 CB ALA A 20 -11.987 3.198 2.872 1.00 0.00 C ATOM 0 H ALA A 20 -10.777 1.694 4.959 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.885 4.535 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.723 3.956 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.216 3.153 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.477 2.228 2.951 1.00 0.00 H new ATOM 360 N SER A 21 -13.100 4.807 5.402 1.00 0.00 N ATOM 361 CA SER A 21 -14.084 5.162 6.466 1.00 0.00 C ATOM 362 C SER A 21 -15.021 4.008 6.921 1.00 0.00 C ATOM 363 O SER A 21 -15.227 3.814 8.122 1.00 0.00 O ATOM 364 CB SER A 21 -14.927 6.364 5.974 1.00 0.00 C ATOM 365 OG SER A 21 -14.090 7.416 5.521 1.00 0.00 O ATOM 0 H SER A 21 -13.023 5.526 4.683 1.00 0.00 H new ATOM 0 HA SER A 21 -13.498 5.407 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.586 6.045 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.564 6.723 6.783 1.00 0.00 H new ATOM 0 HG SER A 21 -14.643 8.164 5.213 1.00 0.00 H new ATOM 371 N ASN A 22 -15.562 3.241 5.955 1.00 0.00 N ATOM 372 CA ASN A 22 -16.554 2.155 6.224 1.00 0.00 C ATOM 373 C ASN A 22 -15.849 0.794 6.487 1.00 0.00 C ATOM 374 O ASN A 22 -16.499 -0.189 6.854 1.00 0.00 O ATOM 375 CB ASN A 22 -17.570 2.085 5.037 1.00 0.00 C ATOM 376 CG ASN A 22 -18.544 0.899 5.061 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.604 0.952 5.687 1.00 0.00 O ATOM 378 ND2 ASN A 22 -18.187 -0.177 4.372 1.00 0.00 N ATOM 0 H ASN A 22 -15.332 3.347 4.967 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.107 2.384 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -18.151 3.007 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.008 2.050 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.797 -0.994 4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.302 -0.187 3.865 1.00 0.00 H new ATOM 385 N GLY A 23 -14.508 0.768 6.369 1.00 0.00 N ATOM 386 CA GLY A 23 -13.695 -0.430 6.650 1.00 0.00 C ATOM 387 C GLY A 23 -13.189 -1.159 5.411 1.00 0.00 C ATOM 388 O GLY A 23 -12.849 -2.346 5.491 1.00 0.00 O ATOM 0 H GLY A 23 -13.958 1.576 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.839 -0.137 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.288 -1.123 7.247 1.00 0.00 H new ATOM 392 N GLU A 24 -13.112 -0.450 4.277 1.00 0.00 N ATOM 393 CA GLU A 24 -12.573 -1.009 3.017 1.00 0.00 C ATOM 394 C GLU A 24 -11.035 -0.972 3.043 1.00 0.00 C ATOM 395 O GLU A 24 -10.449 -0.277 3.868 1.00 0.00 O ATOM 396 CB GLU A 24 -13.091 -0.230 1.771 1.00 0.00 C ATOM 397 CG GLU A 24 -14.625 0.033 1.737 1.00 0.00 C ATOM 398 CD GLU A 24 -15.022 1.448 2.213 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.816 1.765 3.396 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.517 2.259 1.396 1.00 0.00 O ATOM 0 H GLU A 24 -13.417 0.520 4.200 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.919 -2.040 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.574 0.728 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.815 -0.787 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.988 -0.114 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.125 -0.705 2.363 1.00 0.00 H new ATOM 407 N THR A 25 -10.402 -1.731 2.144 1.00 0.00 N ATOM 408 CA THR A 25 -8.941 -1.693 1.923 1.00 0.00 C ATOM 409 C THR A 25 -8.685 -1.551 0.417 1.00 0.00 C ATOM 410 O THR A 25 -9.434 -2.104 -0.405 1.00 0.00 O ATOM 411 CB THR A 25 -8.232 -2.976 2.473 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.604 -3.188 3.836 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.696 -2.899 2.367 1.00 0.00 C ATOM 0 H THR A 25 -10.886 -2.396 1.541 1.00 0.00 H new ATOM 0 HA THR A 25 -8.525 -0.844 2.465 1.00 0.00 H new ATOM 0 HB THR A 25 -8.560 -3.811 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.898 -4.115 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.258 -3.815 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.409 -2.781 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.334 -2.046 2.941 1.00 0.00 H new ATOM 421 N MET A 26 -7.631 -0.804 0.068 1.00 0.00 N ATOM 422 CA MET A 26 -7.313 -0.453 -1.330 1.00 0.00 C ATOM 423 C MET A 26 -5.864 -0.836 -1.709 1.00 0.00 C ATOM 424 O MET A 26 -5.558 -0.984 -2.898 1.00 0.00 O ATOM 425 CB MET A 26 -7.631 1.048 -1.566 1.00 0.00 C ATOM 426 CG MET A 26 -7.200 1.986 -0.428 1.00 0.00 C ATOM 427 SD MET A 26 -5.432 1.972 -0.108 1.00 0.00 S ATOM 428 CE MET A 26 -4.805 2.622 -1.649 1.00 0.00 C ATOM 0 H MET A 26 -6.970 -0.423 0.745 1.00 0.00 H new ATOM 0 HA MET A 26 -7.942 -1.039 -2.000 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.142 1.368 -2.486 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.704 1.157 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.508 3.003 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.727 1.703 0.483 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.781 2.279 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.429 2.273 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.821 3.711 -1.618 1.00 0.00 H new ATOM 438 N PHE A 27 -4.968 -0.984 -0.713 1.00 0.00 N ATOM 439 CA PHE A 27 -3.635 -1.592 -0.937 1.00 0.00 C ATOM 440 C PHE A 27 -3.157 -2.303 0.332 1.00 0.00 C ATOM 441 O PHE A 27 -3.591 -1.970 1.443 1.00 0.00 O ATOM 442 CB PHE A 27 -2.569 -0.556 -1.448 1.00 0.00 C ATOM 443 CG PHE A 27 -1.741 0.153 -0.366 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.581 -0.433 0.173 1.00 0.00 C ATOM 445 CD2 PHE A 27 -2.140 1.373 0.133 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.115 0.206 1.183 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.447 2.017 1.113 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.314 1.438 1.650 1.00 0.00 C ATOM 0 H PHE A 27 -5.139 -0.694 0.250 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.746 -2.328 -1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.884 -1.072 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.083 0.203 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.233 -1.384 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.031 1.834 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.994 -0.256 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.783 2.979 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.235 1.943 2.431 1.00 0.00 H new ATOM 458 N SER A 28 -2.218 -3.243 0.119 1.00 0.00 N ATOM 459 CA SER A 28 -1.590 -4.036 1.183 1.00 0.00 C ATOM 460 C SER A 28 -0.364 -4.808 0.644 1.00 0.00 C ATOM 461 O SER A 28 0.037 -4.624 -0.503 1.00 0.00 O ATOM 462 CB SER A 28 -2.635 -5.020 1.792 1.00 0.00 C ATOM 463 OG SER A 28 -2.150 -5.615 2.991 1.00 0.00 O ATOM 0 H SER A 28 -1.872 -3.474 -0.812 1.00 0.00 H new ATOM 0 HA SER A 28 -1.241 -3.361 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.563 -4.486 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.870 -5.799 1.066 1.00 0.00 H new ATOM 0 HG SER A 28 -1.531 -4.999 3.435 1.00 0.00 H new ATOM 469 N SER A 29 0.275 -5.585 1.545 1.00 0.00 N ATOM 470 CA SER A 29 1.136 -6.764 1.211 1.00 0.00 C ATOM 471 C SER A 29 2.630 -6.411 1.092 1.00 0.00 C ATOM 472 O SER A 29 3.421 -7.193 0.554 1.00 0.00 O ATOM 473 CB SER A 29 0.625 -7.555 -0.036 1.00 0.00 C ATOM 474 OG SER A 29 -0.726 -7.971 0.127 1.00 0.00 O ATOM 0 H SER A 29 0.212 -5.415 2.549 1.00 0.00 H new ATOM 0 HA SER A 29 1.046 -7.433 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.709 -6.929 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.258 -8.427 -0.199 1.00 0.00 H new ATOM 0 HG SER A 29 -1.016 -8.461 -0.671 1.00 0.00 H new ATOM 480 N GLU A 30 3.016 -5.245 1.638 1.00 0.00 N ATOM 481 CA GLU A 30 4.424 -4.822 1.725 1.00 0.00 C ATOM 482 C GLU A 30 4.976 -5.056 3.164 1.00 0.00 C ATOM 483 O GLU A 30 5.452 -6.153 3.471 1.00 0.00 O ATOM 484 CB GLU A 30 4.544 -3.333 1.272 1.00 0.00 C ATOM 485 CG GLU A 30 5.956 -2.727 1.383 1.00 0.00 C ATOM 486 CD GLU A 30 6.998 -3.445 0.518 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.057 -3.178 -0.690 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.741 -4.302 1.038 1.00 0.00 O ATOM 0 H GLU A 30 2.361 -4.570 2.031 1.00 0.00 H new ATOM 0 HA GLU A 30 5.037 -5.425 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.213 -3.257 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.859 -2.731 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.916 -1.677 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.276 -2.759 2.425 1.00 0.00 H new ATOM 495 N GLY A 31 4.897 -4.015 4.033 1.00 0.00 N ATOM 496 CA GLY A 31 5.497 -4.037 5.389 1.00 0.00 C ATOM 497 C GLY A 31 6.931 -3.505 5.394 1.00 0.00 C ATOM 498 O GLY A 31 7.449 -3.117 6.446 1.00 0.00 O ATOM 0 H GLY A 31 4.418 -3.142 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.886 -3.438 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.488 -5.057 5.772 1.00 0.00 H new ATOM 502 N TYR A 32 7.544 -3.520 4.189 1.00 0.00 N ATOM 503 CA TYR A 32 8.852 -2.932 3.855 1.00 0.00 C ATOM 504 C TYR A 32 10.001 -3.841 4.328 1.00 0.00 C ATOM 505 O TYR A 32 10.831 -4.270 3.514 1.00 0.00 O ATOM 506 CB TYR A 32 8.997 -1.460 4.355 1.00 0.00 C ATOM 507 CG TYR A 32 10.123 -0.651 3.683 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.415 -0.812 2.321 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.880 0.278 4.398 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.417 -0.084 1.709 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.878 1.012 3.787 1.00 0.00 C ATOM 512 CZ TYR A 32 12.144 0.826 2.446 1.00 0.00 C ATOM 513 OH TYR A 32 13.137 1.561 1.841 1.00 0.00 O ATOM 0 H TYR A 32 7.112 -3.969 3.382 1.00 0.00 H new ATOM 0 HA TYR A 32 8.914 -2.872 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.052 -0.942 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.172 -1.473 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.845 -1.520 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.682 0.426 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.629 -0.227 0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.449 1.730 4.358 1.00 0.00 H new ATOM 0 HH TYR A 32 12.804 1.927 0.995 1.00 0.00 H new ATOM 523 N LYS A 33 10.031 -4.142 5.635 1.00 0.00 N ATOM 524 CA LYS A 33 11.019 -5.047 6.241 1.00 0.00 C ATOM 525 C LYS A 33 10.488 -5.566 7.588 1.00 0.00 C ATOM 526 O LYS A 33 10.384 -6.773 7.816 1.00 0.00 O ATOM 527 CB LYS A 33 12.375 -4.309 6.436 1.00 0.00 C ATOM 528 CG LYS A 33 13.541 -5.215 6.870 1.00 0.00 C ATOM 529 CD LYS A 33 13.900 -6.282 5.806 1.00 0.00 C ATOM 530 CE LYS A 33 15.077 -7.167 6.235 1.00 0.00 C ATOM 531 NZ LYS A 33 16.309 -6.374 6.483 1.00 0.00 N ATOM 0 H LYS A 33 9.365 -3.761 6.307 1.00 0.00 H new ATOM 0 HA LYS A 33 11.183 -5.895 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.643 -3.817 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.243 -3.526 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.418 -4.600 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.280 -5.713 7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.029 -6.909 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.146 -5.786 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.809 -7.713 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.273 -7.909 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.117 -7.017 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.485 -5.744 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.188 -5.805 7.345 1.00 0.00 H new ATOM 545 N ALA A 34 10.141 -4.622 8.461 1.00 0.00 N ATOM 546 CA ALA A 34 9.656 -4.895 9.828 1.00 0.00 C ATOM 547 C ALA A 34 8.593 -3.854 10.171 1.00 0.00 C ATOM 548 O ALA A 34 8.264 -3.032 9.310 1.00 0.00 O ATOM 549 CB ALA A 34 10.833 -4.849 10.813 1.00 0.00 C ATOM 0 H ALA A 34 10.187 -3.627 8.242 1.00 0.00 H new ATOM 0 HA ALA A 34 9.214 -5.889 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.472 -5.051 11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.570 -5.602 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.294 -3.862 10.784 1.00 0.00 H new ATOM 555 N LYS A 35 8.056 -3.858 11.414 1.00 0.00 N ATOM 556 CA LYS A 35 7.013 -2.890 11.786 1.00 0.00 C ATOM 557 C LYS A 35 7.617 -1.475 11.884 1.00 0.00 C ATOM 558 O LYS A 35 6.996 -0.521 11.456 1.00 0.00 O ATOM 559 CB LYS A 35 6.281 -3.271 13.098 1.00 0.00 C ATOM 560 CG LYS A 35 7.040 -2.977 14.418 1.00 0.00 C ATOM 561 CD LYS A 35 6.131 -3.134 15.650 1.00 0.00 C ATOM 562 CE LYS A 35 5.621 -4.565 15.818 1.00 0.00 C ATOM 563 NZ LYS A 35 4.598 -4.672 16.879 1.00 0.00 N ATOM 0 H LYS A 35 8.323 -4.506 12.155 1.00 0.00 H new ATOM 0 HA LYS A 35 6.260 -2.907 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.329 -2.741 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.052 -4.336 13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.891 -3.653 14.506 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.440 -1.963 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.681 -2.840 16.544 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.282 -2.456 15.561 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.201 -4.912 14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.458 -5.222 16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.392 -5.675 17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.952 -4.226 17.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.728 -4.191 16.573 1.00 0.00 H new ATOM 577 N ALA A 36 8.845 -1.362 12.430 1.00 0.00 N ATOM 578 CA ALA A 36 9.567 -0.080 12.541 1.00 0.00 C ATOM 579 C ALA A 36 9.774 0.543 11.151 1.00 0.00 C ATOM 580 O ALA A 36 9.492 1.728 10.938 1.00 0.00 O ATOM 581 CB ALA A 36 10.911 -0.279 13.257 1.00 0.00 C ATOM 0 H ALA A 36 9.363 -2.156 12.806 1.00 0.00 H new ATOM 0 HA ALA A 36 8.964 0.607 13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.430 0.677 13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.735 -0.674 14.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.524 -0.982 12.692 1.00 0.00 H new ATOM 587 N SER A 37 10.221 -0.304 10.207 1.00 0.00 N ATOM 588 CA SER A 37 10.395 0.071 8.793 1.00 0.00 C ATOM 589 C SER A 37 9.036 0.379 8.137 1.00 0.00 C ATOM 590 O SER A 37 8.970 1.160 7.185 1.00 0.00 O ATOM 591 CB SER A 37 11.095 -1.077 8.032 1.00 0.00 C ATOM 592 OG SER A 37 12.267 -1.503 8.711 1.00 0.00 O ATOM 0 H SER A 37 10.473 -1.272 10.405 1.00 0.00 H new ATOM 0 HA SER A 37 11.011 0.969 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.409 -1.917 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.354 -0.745 7.026 1.00 0.00 H new ATOM 0 HG SER A 37 12.974 -1.688 8.058 1.00 0.00 H new ATOM 598 N ALA A 38 7.964 -0.253 8.668 1.00 0.00 N ATOM 599 CA ALA A 38 6.592 -0.066 8.182 1.00 0.00 C ATOM 600 C ALA A 38 6.073 1.341 8.536 1.00 0.00 C ATOM 601 O ALA A 38 5.587 2.023 7.645 1.00 0.00 O ATOM 602 CB ALA A 38 5.647 -1.154 8.714 1.00 0.00 C ATOM 0 H ALA A 38 8.034 -0.907 9.447 1.00 0.00 H new ATOM 0 HA ALA A 38 6.612 -0.159 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.641 -0.981 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.997 -2.132 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.632 -1.122 9.803 1.00 0.00 H new ATOM 608 N ILE A 39 6.164 1.773 9.837 1.00 0.00 N ATOM 609 CA ILE A 39 5.781 3.154 10.246 1.00 0.00 C ATOM 610 C ILE A 39 6.545 4.186 9.393 1.00 0.00 C ATOM 611 O ILE A 39 5.921 5.036 8.765 1.00 0.00 O ATOM 612 CB ILE A 39 6.011 3.490 11.797 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.020 2.709 12.749 1.00 0.00 C ATOM 614 CG2 ILE A 39 5.885 5.025 12.071 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.469 1.345 13.228 1.00 0.00 C ATOM 0 H ILE A 39 6.495 1.188 10.604 1.00 0.00 H new ATOM 0 HA ILE A 39 4.705 3.211 10.079 1.00 0.00 H new ATOM 0 HB ILE A 39 7.025 3.159 12.023 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.828 3.330 13.624 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.070 2.591 12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.046 5.220 13.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.632 5.562 11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.889 5.365 11.787 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.702 0.915 13.872 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.629 0.693 12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.399 1.444 13.787 1.00 0.00 H new ATOM 627 N HIS A 40 7.894 4.054 9.351 1.00 0.00 N ATOM 628 CA HIS A 40 8.793 4.998 8.625 1.00 0.00 C ATOM 629 C HIS A 40 8.420 5.101 7.134 1.00 0.00 C ATOM 630 O HIS A 40 8.406 6.215 6.546 1.00 0.00 O ATOM 631 CB HIS A 40 10.286 4.591 8.798 1.00 0.00 C ATOM 632 CG HIS A 40 10.879 5.024 10.119 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.092 4.345 11.271 1.00 0.00 N flip ATOM 634 CD2 HIS A 40 11.307 6.313 10.361 1.00 0.00 C flip ATOM 635 CE1 HIS A 40 11.642 5.226 12.167 1.00 0.00 C flip ATOM 636 NE2 HIS A 40 11.761 6.403 11.592 1.00 0.00 N flip ATOM 0 H HIS A 40 8.392 3.295 9.816 1.00 0.00 H new ATOM 0 HA HIS A 40 8.657 5.985 9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.372 3.508 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 40 10.869 5.026 7.987 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.882 3.361 11.441 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.274 7.124 9.649 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.931 4.991 13.181 1.00 0.00 H new ATOM 645 N ALA A 41 8.088 3.941 6.530 1.00 0.00 N ATOM 646 CA ALA A 41 7.567 3.875 5.164 1.00 0.00 C ATOM 647 C ALA A 41 6.304 4.735 5.067 1.00 0.00 C ATOM 648 O ALA A 41 6.259 5.675 4.305 1.00 0.00 O ATOM 649 CB ALA A 41 7.282 2.416 4.752 1.00 0.00 C ATOM 0 H ALA A 41 8.176 3.030 6.981 1.00 0.00 H new ATOM 0 HA ALA A 41 8.316 4.263 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.896 2.395 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.204 1.837 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.545 1.984 5.429 1.00 0.00 H new ATOM 655 N ILE A 42 5.323 4.439 5.913 1.00 0.00 N ATOM 656 CA ILE A 42 4.048 5.170 5.974 1.00 0.00 C ATOM 657 C ILE A 42 4.248 6.687 6.250 1.00 0.00 C ATOM 658 O ILE A 42 3.429 7.507 5.838 1.00 0.00 O ATOM 659 CB ILE A 42 3.124 4.511 7.050 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.816 3.031 6.645 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.822 5.310 7.264 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.242 2.188 7.752 1.00 0.00 C ATOM 0 H ILE A 42 5.385 3.676 6.587 1.00 0.00 H new ATOM 0 HA ILE A 42 3.569 5.102 4.997 1.00 0.00 H new ATOM 0 HB ILE A 42 3.654 4.518 8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.117 3.034 5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.736 2.566 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.212 4.815 8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.065 6.319 7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.268 5.361 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.059 1.179 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.947 2.149 8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.303 2.625 8.093 1.00 0.00 H new ATOM 674 N GLU A 43 5.372 7.065 6.872 1.00 0.00 N ATOM 675 CA GLU A 43 5.674 8.477 7.163 1.00 0.00 C ATOM 676 C GLU A 43 5.988 9.234 5.860 1.00 0.00 C ATOM 677 O GLU A 43 5.762 10.442 5.785 1.00 0.00 O ATOM 678 CB GLU A 43 6.807 8.628 8.208 1.00 0.00 C ATOM 679 CG GLU A 43 6.508 7.996 9.583 1.00 0.00 C ATOM 680 CD GLU A 43 5.157 8.431 10.181 1.00 0.00 C ATOM 681 OE1 GLU A 43 5.078 9.565 10.709 1.00 0.00 O ATOM 682 OE2 GLU A 43 4.165 7.658 10.113 1.00 0.00 O ATOM 0 H GLU A 43 6.091 6.412 7.185 1.00 0.00 H new ATOM 0 HA GLU A 43 4.787 8.925 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.715 8.177 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.013 9.689 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.520 6.910 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.305 8.262 10.277 1.00 0.00 H new ATOM 689 N SER A 44 6.489 8.499 4.834 1.00 0.00 N ATOM 690 CA SER A 44 6.547 9.007 3.438 1.00 0.00 C ATOM 691 C SER A 44 5.174 9.480 2.949 1.00 0.00 C ATOM 692 O SER A 44 5.075 10.462 2.201 1.00 0.00 O ATOM 693 CB SER A 44 7.018 7.911 2.480 1.00 0.00 C ATOM 694 OG SER A 44 8.381 7.591 2.697 1.00 0.00 O ATOM 0 H SER A 44 6.858 7.555 4.947 1.00 0.00 H new ATOM 0 HA SER A 44 7.247 9.843 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.406 7.019 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.879 8.240 1.450 1.00 0.00 H new ATOM 0 HG SER A 44 8.448 6.698 3.095 1.00 0.00 H new ATOM 700 N ILE A 45 4.128 8.741 3.341 1.00 0.00 N ATOM 701 CA ILE A 45 2.776 9.028 2.888 1.00 0.00 C ATOM 702 C ILE A 45 2.302 10.356 3.514 1.00 0.00 C ATOM 703 O ILE A 45 1.683 11.187 2.843 1.00 0.00 O ATOM 704 CB ILE A 45 1.740 7.869 3.201 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.345 6.443 2.981 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.522 8.042 2.291 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.592 6.066 1.538 1.00 0.00 C ATOM 0 H ILE A 45 4.200 7.942 3.971 1.00 0.00 H new ATOM 0 HA ILE A 45 2.813 9.108 1.802 1.00 0.00 H new ATOM 0 HB ILE A 45 1.465 7.945 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.288 6.378 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.672 5.708 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.200 7.251 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.061 9.012 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.836 7.987 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.012 5.061 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.651 6.092 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.292 6.773 1.092 1.00 0.00 H new ATOM 719 N LYS A 46 2.659 10.559 4.801 1.00 0.00 N ATOM 720 CA LYS A 46 2.305 11.781 5.581 1.00 0.00 C ATOM 721 C LYS A 46 3.064 13.018 5.106 1.00 0.00 C ATOM 722 O LYS A 46 2.690 14.150 5.440 1.00 0.00 O ATOM 723 CB LYS A 46 2.502 11.566 7.123 1.00 0.00 C ATOM 724 CG LYS A 46 1.410 10.677 7.781 1.00 0.00 C ATOM 725 CD LYS A 46 1.430 9.237 7.233 1.00 0.00 C ATOM 726 CE LYS A 46 0.095 8.527 7.259 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.293 8.098 8.623 1.00 0.00 N ATOM 0 H LYS A 46 3.203 9.882 5.336 1.00 0.00 H new ATOM 0 HA LYS A 46 1.246 11.961 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.478 11.112 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.511 12.538 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.561 10.656 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.429 11.118 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.793 9.260 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.147 8.654 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.673 9.189 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.138 7.655 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.984 7.323 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.550 7.769 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.717 8.900 9.132 1.00 0.00 H new ATOM 741 N ARG A 47 4.119 12.782 4.328 1.00 0.00 N ATOM 742 CA ARG A 47 4.948 13.867 3.740 1.00 0.00 C ATOM 743 C ARG A 47 4.118 14.730 2.765 1.00 0.00 C ATOM 744 O ARG A 47 3.930 15.931 3.003 1.00 0.00 O ATOM 745 CB ARG A 47 6.208 13.302 3.020 1.00 0.00 C ATOM 746 CG ARG A 47 7.201 12.575 3.945 1.00 0.00 C ATOM 747 CD ARG A 47 7.845 13.509 4.969 1.00 0.00 C ATOM 748 NE ARG A 47 8.663 14.537 4.321 1.00 0.00 N ATOM 749 CZ ARG A 47 9.220 15.578 4.939 1.00 0.00 C ATOM 750 NH1 ARG A 47 9.079 15.769 6.248 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.913 16.442 4.238 1.00 0.00 N ATOM 0 H ARG A 47 4.433 11.844 4.080 1.00 0.00 H new ATOM 0 HA ARG A 47 5.285 14.496 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.886 12.612 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.727 14.123 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.683 11.771 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.981 12.111 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.068 13.985 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.464 12.929 5.653 1.00 0.00 H new ATOM 0 HE ARG A 47 8.819 14.449 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.534 15.110 6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.516 16.574 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.021 16.313 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.345 17.243 4.699 1.00 0.00 H new ATOM 765 N ASN A 48 3.600 14.092 1.700 1.00 0.00 N ATOM 766 CA ASN A 48 2.907 14.813 0.601 1.00 0.00 C ATOM 767 C ASN A 48 2.267 13.826 -0.400 1.00 0.00 C ATOM 768 O ASN A 48 1.995 14.189 -1.542 1.00 0.00 O ATOM 769 CB ASN A 48 3.869 15.810 -0.132 1.00 0.00 C ATOM 770 CG ASN A 48 3.150 17.022 -0.742 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.044 18.076 -0.113 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.623 16.877 -1.947 1.00 0.00 N ATOM 0 H ASN A 48 3.645 13.081 1.571 1.00 0.00 H new ATOM 0 HA ASN A 48 2.107 15.400 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.621 16.162 0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.398 15.277 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.114 17.649 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.726 15.993 -2.446 1.00 0.00 H new ATOM 779 N SER A 49 2.049 12.571 0.018 1.00 0.00 N ATOM 780 CA SER A 49 1.522 11.516 -0.876 1.00 0.00 C ATOM 781 C SER A 49 0.086 11.806 -1.352 1.00 0.00 C ATOM 782 O SER A 49 -0.288 11.421 -2.461 1.00 0.00 O ATOM 783 CB SER A 49 1.568 10.175 -0.179 1.00 0.00 C ATOM 784 OG SER A 49 1.261 9.113 -1.043 1.00 0.00 O ATOM 0 H SER A 49 2.228 12.256 0.971 1.00 0.00 H new ATOM 0 HA SER A 49 2.160 11.499 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.561 10.021 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.865 10.177 0.654 1.00 0.00 H new ATOM 0 HG SER A 49 1.616 9.305 -1.936 1.00 0.00 H new ATOM 790 N ALA A 50 -0.712 12.479 -0.502 1.00 0.00 N ATOM 791 CA ALA A 50 -2.040 12.989 -0.896 1.00 0.00 C ATOM 792 C ALA A 50 -1.934 14.038 -2.030 1.00 0.00 C ATOM 793 O ALA A 50 -2.855 14.196 -2.833 1.00 0.00 O ATOM 794 CB ALA A 50 -2.783 13.560 0.321 1.00 0.00 C ATOM 0 H ALA A 50 -0.460 12.683 0.465 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.617 12.150 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.760 13.931 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.913 12.777 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.204 14.378 0.750 1.00 0.00 H new ATOM 800 N GLY A 51 -0.784 14.727 -2.082 1.00 0.00 N ATOM 801 CA GLY A 51 -0.478 15.702 -3.131 1.00 0.00 C ATOM 802 C GLY A 51 0.446 15.149 -4.216 1.00 0.00 C ATOM 803 O GLY A 51 0.800 15.880 -5.146 1.00 0.00 O ATOM 0 H GLY A 51 -0.039 14.621 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.408 16.036 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.013 16.578 -2.679 1.00 0.00 H new ATOM 807 N ALA A 52 0.863 13.866 -4.084 1.00 0.00 N ATOM 808 CA ALA A 52 1.687 13.176 -5.102 1.00 0.00 C ATOM 809 C ALA A 52 0.860 12.868 -6.361 1.00 0.00 C ATOM 810 O ALA A 52 -0.375 12.975 -6.352 1.00 0.00 O ATOM 811 CB ALA A 52 2.303 11.888 -4.517 1.00 0.00 C ATOM 0 H ALA A 52 0.639 13.286 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 52 2.500 13.841 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.905 11.394 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.933 12.141 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.506 11.218 -4.194 1.00 0.00 H new ATOM 817 N ASP A 53 1.549 12.496 -7.449 1.00 0.00 N ATOM 818 CA ASP A 53 0.908 12.159 -8.742 1.00 0.00 C ATOM 819 C ASP A 53 0.736 10.628 -8.856 1.00 0.00 C ATOM 820 O ASP A 53 1.319 9.866 -8.075 1.00 0.00 O ATOM 821 CB ASP A 53 1.763 12.736 -9.908 1.00 0.00 C ATOM 822 CG ASP A 53 1.131 12.561 -11.307 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.268 13.389 -11.694 1.00 0.00 O ATOM 824 OD2 ASP A 53 1.477 11.594 -12.016 1.00 0.00 O ATOM 0 H ASP A 53 2.566 12.418 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.084 12.607 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.931 13.798 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.740 12.253 -9.900 1.00 0.00 H new ATOM 829 N THR A 54 -0.125 10.196 -9.779 1.00 0.00 N ATOM 830 CA THR A 54 -0.338 8.781 -10.107 1.00 0.00 C ATOM 831 C THR A 54 0.106 8.517 -11.564 1.00 0.00 C ATOM 832 O THR A 54 -0.618 8.837 -12.516 1.00 0.00 O ATOM 833 CB THR A 54 -1.845 8.410 -9.911 1.00 0.00 C ATOM 834 OG1 THR A 54 -2.274 8.797 -8.597 1.00 0.00 O ATOM 835 CG2 THR A 54 -2.114 6.915 -10.102 1.00 0.00 C ATOM 0 H THR A 54 -0.705 10.829 -10.330 1.00 0.00 H new ATOM 0 HA THR A 54 0.258 8.157 -9.441 1.00 0.00 H new ATOM 0 HB THR A 54 -2.406 8.949 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.253 8.784 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.175 6.714 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.826 6.619 -11.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.533 6.345 -9.377 1.00 0.00 H new ATOM 843 N VAL A 55 1.322 7.972 -11.727 1.00 0.00 N ATOM 844 CA VAL A 55 1.917 7.683 -13.048 1.00 0.00 C ATOM 845 C VAL A 55 1.886 6.168 -13.320 1.00 0.00 C ATOM 846 O VAL A 55 2.331 5.372 -12.489 1.00 0.00 O ATOM 847 CB VAL A 55 3.387 8.251 -13.173 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.347 7.683 -12.106 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.946 8.051 -14.611 1.00 0.00 C ATOM 0 H VAL A 55 1.925 7.717 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 55 1.317 8.191 -13.803 1.00 0.00 H new ATOM 0 HB VAL A 55 3.323 9.322 -12.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.340 8.111 -12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.978 7.937 -11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.402 6.599 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.958 8.451 -14.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.962 6.988 -14.850 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.309 8.574 -15.325 1.00 0.00 H new ATOM 859 N ASP A 56 1.320 5.774 -14.470 1.00 0.00 N ATOM 860 CA ASP A 56 1.269 4.367 -14.908 1.00 0.00 C ATOM 861 C ASP A 56 2.380 4.096 -15.944 1.00 0.00 C ATOM 862 O ASP A 56 2.344 4.599 -17.065 1.00 0.00 O ATOM 863 CB ASP A 56 -0.142 4.006 -15.456 1.00 0.00 C ATOM 864 CG ASP A 56 -0.592 4.869 -16.650 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.904 6.057 -16.447 1.00 0.00 O ATOM 866 OD2 ASP A 56 -0.645 4.362 -17.791 1.00 0.00 O ATOM 0 H ASP A 56 0.883 6.422 -15.126 1.00 0.00 H new ATOM 0 HA ASP A 56 1.449 3.721 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.146 2.958 -15.757 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.870 4.110 -14.651 1.00 0.00 H new ATOM 871 N LEU A 57 3.402 3.345 -15.519 1.00 0.00 N ATOM 872 CA LEU A 57 4.526 2.905 -16.371 1.00 0.00 C ATOM 873 C LEU A 57 4.100 1.783 -17.339 1.00 0.00 C ATOM 874 O LEU A 57 4.770 1.544 -18.352 1.00 0.00 O ATOM 875 CB LEU A 57 5.696 2.421 -15.474 1.00 0.00 C ATOM 876 CG LEU A 57 6.565 3.516 -14.760 1.00 0.00 C ATOM 877 CD1 LEU A 57 5.722 4.600 -14.039 1.00 0.00 C ATOM 878 CD2 LEU A 57 7.544 2.840 -13.778 1.00 0.00 C ATOM 0 H LEU A 57 3.478 3.017 -14.556 1.00 0.00 H new ATOM 0 HA LEU A 57 4.850 3.754 -16.974 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.282 1.767 -14.706 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.360 1.812 -16.088 1.00 0.00 H new ATOM 0 HG LEU A 57 7.121 4.041 -15.537 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.387 5.324 -13.568 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.087 5.109 -14.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.099 4.130 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.147 3.602 -13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.981 2.280 -13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.197 2.160 -14.325 1.00 0.00 H new ATOM 890 N THR A 58 2.941 1.158 -17.035 1.00 0.00 N ATOM 891 CA THR A 58 2.365 0.035 -17.798 1.00 0.00 C ATOM 892 C THR A 58 1.277 0.573 -18.781 1.00 0.00 C ATOM 893 O THR A 58 0.256 -0.092 -19.016 1.00 0.00 O ATOM 894 CB THR A 58 1.780 -1.053 -16.810 1.00 0.00 C ATOM 895 OG1 THR A 58 1.307 -2.221 -17.513 1.00 0.00 O ATOM 896 CG2 THR A 58 0.650 -0.497 -15.914 1.00 0.00 C ATOM 0 H THR A 58 2.370 1.428 -16.234 1.00 0.00 H new ATOM 0 HA THR A 58 3.144 -0.447 -18.389 1.00 0.00 H new ATOM 0 HB THR A 58 2.612 -1.341 -16.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.772 -1.943 -18.286 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.286 -1.286 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.034 0.327 -15.313 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.168 -0.140 -16.540 1.00 0.00 H new ATOM 904 N THR A 59 1.499 1.818 -19.293 1.00 0.00 N ATOM 905 CA THR A 59 0.688 2.453 -20.380 1.00 0.00 C ATOM 906 C THR A 59 0.151 1.430 -21.414 1.00 0.00 C ATOM 907 O THR A 59 -1.049 1.409 -21.719 1.00 0.00 O ATOM 908 CB THR A 59 1.506 3.558 -21.129 1.00 0.00 C ATOM 909 OG1 THR A 59 2.705 2.987 -21.688 1.00 0.00 O ATOM 910 CG2 THR A 59 1.877 4.731 -20.210 1.00 0.00 C ATOM 0 H THR A 59 2.254 2.417 -18.960 1.00 0.00 H new ATOM 0 HA THR A 59 -0.169 2.904 -19.879 1.00 0.00 H new ATOM 0 HB THR A 59 0.870 3.948 -21.924 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.211 3.683 -22.157 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.443 5.471 -20.775 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.968 5.190 -19.820 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.483 4.366 -19.381 1.00 0.00 H new ATOM 918 N MET A 60 1.059 0.582 -21.937 1.00 0.00 N ATOM 919 CA MET A 60 0.683 -0.616 -22.700 1.00 0.00 C ATOM 920 C MET A 60 0.200 -1.688 -21.698 1.00 0.00 C ATOM 921 O MET A 60 1.014 -2.286 -20.974 1.00 0.00 O ATOM 922 CB MET A 60 1.876 -1.153 -23.537 1.00 0.00 C ATOM 923 CG MET A 60 1.557 -2.421 -24.351 1.00 0.00 C ATOM 924 SD MET A 60 3.026 -3.152 -25.114 1.00 0.00 S ATOM 925 CE MET A 60 2.327 -4.594 -25.924 1.00 0.00 C ATOM 0 H MET A 60 2.066 0.710 -21.841 1.00 0.00 H new ATOM 0 HA MET A 60 -0.112 -0.365 -23.403 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.207 -0.371 -24.220 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.709 -1.365 -22.867 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.087 -3.157 -23.699 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.833 -2.176 -25.128 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.117 -5.142 -26.436 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.861 -5.240 -25.179 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.577 -4.277 -26.649 1.00 0.00 H new ATOM 935 N THR A 61 -1.121 -1.872 -21.623 1.00 0.00 N ATOM 936 CA THR A 61 -1.765 -2.761 -20.645 1.00 0.00 C ATOM 937 C THR A 61 -1.844 -4.201 -21.175 1.00 0.00 C ATOM 938 O THR A 61 -2.142 -4.416 -22.352 1.00 0.00 O ATOM 939 CB THR A 61 -3.200 -2.234 -20.318 1.00 0.00 C ATOM 940 OG1 THR A 61 -3.953 -2.059 -21.537 1.00 0.00 O ATOM 941 CG2 THR A 61 -3.151 -0.899 -19.570 1.00 0.00 C ATOM 0 H THR A 61 -1.782 -1.405 -22.244 1.00 0.00 H new ATOM 0 HA THR A 61 -1.162 -2.766 -19.737 1.00 0.00 H new ATOM 0 HB THR A 61 -3.683 -2.974 -19.680 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.851 -1.730 -21.322 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.166 -0.563 -19.359 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.609 -1.027 -18.633 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.643 -0.156 -20.185 1.00 0.00 H new ATOM 949 N ALA A 62 -1.570 -5.171 -20.293 1.00 0.00 N ATOM 950 CA ALA A 62 -1.751 -6.602 -20.567 1.00 0.00 C ATOM 951 C ALA A 62 -2.630 -7.199 -19.439 1.00 0.00 C ATOM 952 O ALA A 62 -2.093 -7.764 -18.458 1.00 0.00 O ATOM 953 CB ALA A 62 -0.383 -7.312 -20.698 1.00 0.00 C ATOM 954 OXT ALA A 62 -3.867 -7.066 -19.521 1.00 0.00 O ATOM 0 H ALA A 62 -1.212 -4.981 -19.357 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.257 -6.752 -21.521 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.541 -8.371 -20.901 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.182 -6.866 -21.517 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.176 -7.200 -19.769 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 9.174 15.003 -9.010 1.00 0.00 N ATOM 962 CA MET B 1 8.533 14.812 -7.684 1.00 0.00 C ATOM 963 C MET B 1 8.386 13.310 -7.382 1.00 0.00 C ATOM 964 O MET B 1 8.513 12.476 -8.284 1.00 0.00 O ATOM 965 CB MET B 1 7.135 15.502 -7.648 1.00 0.00 C ATOM 966 CG MET B 1 6.468 15.557 -6.266 1.00 0.00 C ATOM 967 SD MET B 1 4.788 16.211 -6.311 1.00 0.00 S ATOM 968 CE MET B 1 4.285 15.972 -4.606 1.00 0.00 C ATOM 0 H1 MET B 1 10.122 15.411 -8.882 1.00 0.00 H new ATOM 0 H2 MET B 1 9.255 14.085 -9.492 1.00 0.00 H new ATOM 0 H3 MET B 1 8.595 15.647 -9.586 1.00 0.00 H new ATOM 0 HA MET B 1 9.166 15.269 -6.923 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.240 16.520 -8.024 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.470 14.976 -8.334 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.449 14.554 -5.839 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.073 16.174 -5.602 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.227 16.212 -4.502 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.451 14.933 -4.320 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.871 16.625 -3.959 1.00 0.00 H new ATOM 978 N TYR B 2 8.136 12.959 -6.107 1.00 0.00 N ATOM 979 CA TYR B 2 7.694 11.614 -5.749 1.00 0.00 C ATOM 980 C TYR B 2 6.213 11.415 -6.120 1.00 0.00 C ATOM 981 O TYR B 2 5.397 12.344 -6.052 1.00 0.00 O ATOM 982 CB TYR B 2 7.975 11.277 -4.268 1.00 0.00 C ATOM 983 CG TYR B 2 7.689 12.361 -3.215 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.402 12.594 -2.731 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.734 13.113 -2.665 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.170 13.532 -1.745 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.502 14.057 -1.685 1.00 0.00 C ATOM 988 CZ TYR B 2 7.221 14.261 -1.225 1.00 0.00 C ATOM 989 OH TYR B 2 6.991 15.191 -0.235 1.00 0.00 O ATOM 0 H TYR B 2 8.235 13.593 -5.314 1.00 0.00 H new ATOM 0 HA TYR B 2 8.283 10.906 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.388 10.396 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.025 10.997 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.573 12.031 -3.134 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.743 12.951 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.167 13.696 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.322 14.633 -1.281 1.00 0.00 H new ATOM 0 HH TYR B 2 7.838 15.614 0.019 1.00 0.00 H new ATOM 999 N LYS B 3 5.898 10.172 -6.486 1.00 0.00 N ATOM 1000 CA LYS B 3 4.640 9.779 -7.130 1.00 0.00 C ATOM 1001 C LYS B 3 4.483 8.253 -7.056 1.00 0.00 C ATOM 1002 O LYS B 3 5.354 7.546 -6.528 1.00 0.00 O ATOM 1003 CB LYS B 3 4.549 10.297 -8.622 1.00 0.00 C ATOM 1004 CG LYS B 3 5.876 10.357 -9.434 1.00 0.00 C ATOM 1005 CD LYS B 3 6.632 9.007 -9.541 1.00 0.00 C ATOM 1006 CE LYS B 3 7.909 9.113 -10.395 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.859 10.120 -9.852 1.00 0.00 N ATOM 0 H LYS B 3 6.530 9.385 -6.339 1.00 0.00 H new ATOM 0 HA LYS B 3 3.817 10.249 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.851 9.656 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.116 11.297 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.655 10.715 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.536 11.092 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.895 8.661 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.970 8.257 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.398 8.140 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.641 9.381 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.690 10.185 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.391 11.047 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.162 9.833 -8.899 1.00 0.00 H new ATOM 1021 N PHE B 4 3.374 7.763 -7.612 1.00 0.00 N ATOM 1022 CA PHE B 4 3.026 6.346 -7.623 1.00 0.00 C ATOM 1023 C PHE B 4 3.270 5.760 -9.011 1.00 0.00 C ATOM 1024 O PHE B 4 2.628 6.159 -9.977 1.00 0.00 O ATOM 1025 CB PHE B 4 1.553 6.155 -7.213 1.00 0.00 C ATOM 1026 CG PHE B 4 1.274 6.445 -5.743 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.181 7.755 -5.267 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.092 5.401 -4.838 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.915 8.003 -3.940 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.823 5.654 -3.514 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.735 6.949 -3.065 1.00 0.00 C ATOM 0 H PHE B 4 2.682 8.352 -8.075 1.00 0.00 H new ATOM 0 HA PHE B 4 3.656 5.822 -6.904 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.929 6.806 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.256 5.130 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.319 8.582 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.163 4.380 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.847 9.020 -3.583 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.681 4.834 -2.826 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.524 7.144 -2.024 1.00 0.00 H new ATOM 1041 N GLU B 5 4.191 4.798 -9.077 1.00 0.00 N ATOM 1042 CA GLU B 5 4.546 4.108 -10.318 1.00 0.00 C ATOM 1043 C GLU B 5 3.736 2.819 -10.405 1.00 0.00 C ATOM 1044 O GLU B 5 3.942 1.906 -9.598 1.00 0.00 O ATOM 1045 CB GLU B 5 6.060 3.792 -10.359 1.00 0.00 C ATOM 1046 CG GLU B 5 6.964 5.036 -10.279 1.00 0.00 C ATOM 1047 CD GLU B 5 8.470 4.735 -10.389 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.913 3.670 -9.913 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.227 5.588 -10.898 1.00 0.00 O ATOM 0 H GLU B 5 4.716 4.473 -8.265 1.00 0.00 H new ATOM 0 HA GLU B 5 4.318 4.751 -11.168 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.304 3.125 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.283 3.253 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.684 5.725 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.776 5.547 -9.335 1.00 0.00 H new ATOM 1056 N ILE B 6 2.816 2.755 -11.382 1.00 0.00 N ATOM 1057 CA ILE B 6 1.950 1.594 -11.606 1.00 0.00 C ATOM 1058 C ILE B 6 2.515 0.827 -12.782 1.00 0.00 C ATOM 1059 O ILE B 6 2.606 1.355 -13.888 1.00 0.00 O ATOM 1060 CB ILE B 6 0.476 1.996 -11.947 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.096 2.938 -10.851 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.425 0.738 -12.148 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.434 3.535 -11.198 1.00 0.00 C ATOM 0 H ILE B 6 2.654 3.516 -12.042 1.00 0.00 H new ATOM 0 HA ILE B 6 1.925 1.004 -10.690 1.00 0.00 H new ATOM 0 HB ILE B 6 0.481 2.540 -12.892 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.188 2.381 -9.919 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.615 3.744 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.442 1.053 -12.383 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.032 0.136 -12.968 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.431 0.145 -11.233 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.767 4.180 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.345 4.121 -12.113 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.161 2.737 -11.348 1.00 0.00 H new ATOM 1075 N TYR B 7 2.879 -0.402 -12.544 1.00 0.00 N ATOM 1076 CA TYR B 7 3.438 -1.274 -13.563 1.00 0.00 C ATOM 1077 C TYR B 7 2.813 -2.660 -13.424 1.00 0.00 C ATOM 1078 O TYR B 7 1.993 -2.904 -12.536 1.00 0.00 O ATOM 1079 CB TYR B 7 4.984 -1.314 -13.417 1.00 0.00 C ATOM 1080 CG TYR B 7 5.436 -1.814 -12.030 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.579 -0.928 -10.956 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.669 -3.174 -11.787 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.931 -1.378 -9.701 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.029 -3.625 -10.531 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.155 -2.724 -9.491 1.00 0.00 C ATOM 1086 OH TYR B 7 6.494 -3.175 -8.230 1.00 0.00 O ATOM 0 H TYR B 7 2.798 -0.841 -11.627 1.00 0.00 H new ATOM 0 HA TYR B 7 3.212 -0.899 -14.561 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.401 -1.963 -14.187 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.387 -0.316 -13.589 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.411 0.127 -11.113 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.565 -3.883 -12.595 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.031 -0.679 -8.884 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.211 -4.676 -10.363 1.00 0.00 H new ATOM 0 HH TYR B 7 6.065 -2.610 -7.554 1.00 0.00 H new ATOM 1096 N GLN B 8 3.203 -3.549 -14.316 1.00 0.00 N ATOM 1097 CA GLN B 8 3.000 -4.985 -14.144 1.00 0.00 C ATOM 1098 C GLN B 8 4.369 -5.658 -14.208 1.00 0.00 C ATOM 1099 O GLN B 8 5.318 -5.127 -14.810 1.00 0.00 O ATOM 1100 CB GLN B 8 2.036 -5.602 -15.199 1.00 0.00 C ATOM 1101 CG GLN B 8 2.664 -5.890 -16.578 1.00 0.00 C ATOM 1102 CD GLN B 8 1.763 -6.653 -17.561 1.00 0.00 C ATOM 1103 OE1 GLN B 8 2.252 -7.254 -18.512 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.478 -6.754 -17.287 1.00 0.00 N ATOM 0 H GLN B 8 3.672 -3.300 -15.187 1.00 0.00 H new ATOM 0 HA GLN B 8 2.521 -5.153 -13.180 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.635 -6.533 -14.799 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.193 -4.925 -15.336 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.951 -4.942 -17.034 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.580 -6.463 -16.430 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.085 -6.249 -16.493 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.123 -7.337 -17.869 1.00 0.00 H new ATOM 1113 N ASP B 9 4.460 -6.810 -13.570 1.00 0.00 N ATOM 1114 CA ASP B 9 5.635 -7.667 -13.631 1.00 0.00 C ATOM 1115 C ASP B 9 5.559 -8.480 -14.931 1.00 0.00 C ATOM 1116 O ASP B 9 4.468 -8.577 -15.501 1.00 0.00 O ATOM 1117 CB ASP B 9 5.668 -8.572 -12.372 1.00 0.00 C ATOM 1118 CG ASP B 9 6.918 -9.465 -12.299 1.00 0.00 C ATOM 1119 OD1 ASP B 9 8.012 -8.939 -11.996 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.819 -10.683 -12.557 1.00 0.00 O ATOM 0 H ASP B 9 3.712 -7.184 -12.987 1.00 0.00 H new ATOM 0 HA ASP B 9 6.558 -7.088 -13.639 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.625 -7.945 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.779 -9.202 -12.362 1.00 0.00 H new ATOM 1125 N LYS B 10 6.703 -9.050 -15.387 1.00 0.00 N ATOM 1126 CA LYS B 10 6.784 -9.855 -16.640 1.00 0.00 C ATOM 1127 C LYS B 10 5.731 -10.998 -16.623 1.00 0.00 C ATOM 1128 O LYS B 10 5.139 -11.330 -17.650 1.00 0.00 O ATOM 1129 CB LYS B 10 8.237 -10.391 -16.847 1.00 0.00 C ATOM 1130 CG LYS B 10 8.551 -10.997 -18.251 1.00 0.00 C ATOM 1131 CD LYS B 10 8.055 -12.457 -18.455 1.00 0.00 C ATOM 1132 CE LYS B 10 8.103 -12.905 -19.929 1.00 0.00 C ATOM 1133 NZ LYS B 10 7.397 -14.195 -20.147 1.00 0.00 N ATOM 0 H LYS B 10 7.595 -8.967 -14.900 1.00 0.00 H new ATOM 0 HA LYS B 10 6.549 -9.216 -17.492 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.934 -9.574 -16.662 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.432 -11.153 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.098 -10.364 -19.014 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.629 -10.968 -18.411 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.667 -13.131 -17.855 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.033 -12.543 -18.087 1.00 0.00 H new ATOM 0 HE2 LYS B 10 7.652 -12.136 -20.556 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.142 -13.004 -20.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 7.455 -14.457 -21.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 7.842 -14.936 -19.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 6.399 -14.095 -19.872 1.00 0.00 H new ATOM 1147 N ALA B 11 5.504 -11.558 -15.421 1.00 0.00 N ATOM 1148 CA ALA B 11 4.441 -12.556 -15.159 1.00 0.00 C ATOM 1149 C ALA B 11 2.982 -12.029 -15.441 1.00 0.00 C ATOM 1150 O ALA B 11 2.014 -12.777 -15.270 1.00 0.00 O ATOM 1151 CB ALA B 11 4.570 -13.062 -13.708 1.00 0.00 C ATOM 0 H ALA B 11 6.056 -11.331 -14.594 1.00 0.00 H new ATOM 0 HA ALA B 11 4.590 -13.374 -15.863 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.790 -13.797 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.548 -13.523 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.463 -12.224 -13.019 1.00 0.00 H new ATOM 1157 N GLY B 12 2.851 -10.752 -15.894 1.00 0.00 N ATOM 1158 CA GLY B 12 1.575 -10.087 -16.177 1.00 0.00 C ATOM 1159 C GLY B 12 0.873 -9.596 -14.922 1.00 0.00 C ATOM 1160 O GLY B 12 -0.334 -9.338 -14.934 1.00 0.00 O ATOM 0 H GLY B 12 3.657 -10.153 -16.073 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.751 -9.242 -16.843 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.920 -10.779 -16.706 1.00 0.00 H new ATOM 1164 N GLU B 13 1.645 -9.415 -13.837 1.00 0.00 N ATOM 1165 CA GLU B 13 1.083 -9.200 -12.482 1.00 0.00 C ATOM 1166 C GLU B 13 1.200 -7.729 -12.067 1.00 0.00 C ATOM 1167 O GLU B 13 2.291 -7.269 -11.755 1.00 0.00 O ATOM 1168 CB GLU B 13 1.806 -10.115 -11.461 1.00 0.00 C ATOM 1169 CG GLU B 13 1.691 -11.623 -11.754 1.00 0.00 C ATOM 1170 CD GLU B 13 0.239 -12.128 -11.786 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -0.341 -12.366 -10.709 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -0.337 -12.275 -12.890 1.00 0.00 O ATOM 0 H GLU B 13 2.665 -9.412 -13.867 1.00 0.00 H new ATOM 0 HA GLU B 13 0.024 -9.458 -12.500 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.861 -9.843 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.401 -9.920 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.164 -11.837 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.244 -12.177 -10.995 1.00 0.00 H new ATOM 1179 N TYR B 14 0.080 -6.990 -12.132 1.00 0.00 N ATOM 1180 CA TYR B 14 0.021 -5.575 -11.722 1.00 0.00 C ATOM 1181 C TYR B 14 0.369 -5.348 -10.231 1.00 0.00 C ATOM 1182 O TYR B 14 -0.086 -6.073 -9.343 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.362 -4.956 -12.058 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.597 -4.791 -13.571 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.075 -5.847 -14.351 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.319 -3.587 -14.217 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.271 -5.700 -15.709 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.514 -3.446 -15.576 1.00 0.00 C ATOM 1189 CZ TYR B 14 -1.989 -4.499 -16.312 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.184 -4.355 -17.662 1.00 0.00 O ATOM 0 H TYR B 14 -0.810 -7.356 -12.470 1.00 0.00 H new ATOM 0 HA TYR B 14 0.792 -5.065 -12.299 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.147 -5.587 -11.641 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.445 -3.982 -11.575 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -2.295 -6.795 -13.883 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.945 -2.751 -13.645 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.645 -6.526 -16.295 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.292 -2.506 -16.059 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.172 -3.403 -17.895 1.00 0.00 H new ATOM 1200 N ARG B 15 1.193 -4.308 -10.022 1.00 0.00 N ATOM 1201 CA ARG B 15 1.603 -3.779 -8.707 1.00 0.00 C ATOM 1202 C ARG B 15 2.010 -2.317 -8.892 1.00 0.00 C ATOM 1203 O ARG B 15 2.649 -1.973 -9.894 1.00 0.00 O ATOM 1204 CB ARG B 15 2.801 -4.531 -8.026 1.00 0.00 C ATOM 1205 CG ARG B 15 2.679 -6.072 -7.833 1.00 0.00 C ATOM 1206 CD ARG B 15 3.414 -6.870 -8.918 1.00 0.00 C ATOM 1207 NE ARG B 15 3.299 -8.335 -8.734 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.326 -9.197 -8.730 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.575 -8.757 -8.786 1.00 0.00 N ATOM 1210 NH2 ARG B 15 4.097 -10.498 -8.643 1.00 0.00 N ATOM 0 H ARG B 15 1.610 -3.790 -10.796 1.00 0.00 H new ATOM 0 HA ARG B 15 0.746 -3.914 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.696 -4.338 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.963 -4.083 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.079 -6.343 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.625 -6.351 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.014 -6.599 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.468 -6.590 -8.917 1.00 0.00 H new ATOM 0 HE ARG B 15 2.364 -8.719 -8.600 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.761 -7.755 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.350 -9.420 -8.782 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.140 -10.844 -8.579 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.878 -11.154 -8.640 1.00 0.00 H new ATOM 1224 N PHE B 16 1.646 -1.459 -7.927 1.00 0.00 N ATOM 1225 CA PHE B 16 2.172 -0.093 -7.860 1.00 0.00 C ATOM 1226 C PHE B 16 3.124 0.035 -6.668 1.00 0.00 C ATOM 1227 O PHE B 16 3.336 -0.924 -5.900 1.00 0.00 O ATOM 1228 CB PHE B 16 1.042 0.994 -7.848 1.00 0.00 C ATOM 1229 CG PHE B 16 0.018 0.962 -6.704 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.261 1.611 -5.487 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.209 0.309 -6.862 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.690 1.599 -4.475 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.148 0.296 -5.849 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.891 0.940 -4.657 1.00 0.00 C ATOM 0 H PHE B 16 0.988 -1.690 -7.183 1.00 0.00 H new ATOM 0 HA PHE B 16 2.736 0.098 -8.773 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.521 1.973 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.495 0.916 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE B 16 1.198 2.126 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.426 -0.194 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.490 2.106 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.086 -0.220 -5.991 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.627 0.929 -3.867 1.00 0.00 H new ATOM 1244 N ARG B 17 3.772 1.196 -6.614 1.00 0.00 N ATOM 1245 CA ARG B 17 4.654 1.600 -5.515 1.00 0.00 C ATOM 1246 C ARG B 17 4.611 3.119 -5.326 1.00 0.00 C ATOM 1247 O ARG B 17 4.113 3.837 -6.193 1.00 0.00 O ATOM 1248 CB ARG B 17 6.108 1.130 -5.805 1.00 0.00 C ATOM 1249 CG ARG B 17 6.694 1.600 -7.158 1.00 0.00 C ATOM 1250 CD ARG B 17 8.155 1.154 -7.364 1.00 0.00 C ATOM 1251 NE ARG B 17 8.335 -0.314 -7.225 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.105 -1.085 -8.014 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.682 -0.592 -9.095 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.252 -2.371 -7.744 1.00 0.00 N ATOM 0 H ARG B 17 3.699 1.900 -7.348 1.00 0.00 H new ATOM 0 HA ARG B 17 4.308 1.131 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.755 1.487 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.134 0.041 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.081 1.208 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.640 2.687 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.488 1.464 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.791 1.663 -6.640 1.00 0.00 H new ATOM 0 HE ARG B 17 7.832 -0.776 -6.467 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.547 0.388 -9.343 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.263 -1.191 -9.682 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.781 -2.780 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.836 -2.954 -8.343 1.00 0.00 H new ATOM 1268 N PHE B 18 5.164 3.594 -4.197 1.00 0.00 N ATOM 1269 CA PHE B 18 5.326 5.036 -3.917 1.00 0.00 C ATOM 1270 C PHE B 18 6.816 5.329 -3.772 1.00 0.00 C ATOM 1271 O PHE B 18 7.549 4.602 -3.081 1.00 0.00 O ATOM 1272 CB PHE B 18 4.558 5.471 -2.646 1.00 0.00 C ATOM 1273 CG PHE B 18 4.629 6.955 -2.277 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.567 7.954 -3.250 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.725 7.343 -0.944 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.611 9.289 -2.895 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.766 8.670 -0.589 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.714 9.645 -1.562 1.00 0.00 C ATOM 0 H PHE B 18 5.512 2.991 -3.451 1.00 0.00 H new ATOM 0 HA PHE B 18 4.904 5.608 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.510 5.201 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.937 4.892 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.484 7.681 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.768 6.587 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.565 10.053 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.839 8.949 0.452 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.754 10.688 -1.284 1.00 0.00 H new ATOM 1288 N LYS B 19 7.239 6.394 -4.445 1.00 0.00 N ATOM 1289 CA LYS B 19 8.640 6.781 -4.571 1.00 0.00 C ATOM 1290 C LYS B 19 8.995 7.924 -3.613 1.00 0.00 C ATOM 1291 O LYS B 19 8.161 8.379 -2.820 1.00 0.00 O ATOM 1292 CB LYS B 19 8.912 7.169 -6.054 1.00 0.00 C ATOM 1293 CG LYS B 19 8.606 6.016 -7.033 1.00 0.00 C ATOM 1294 CD LYS B 19 9.474 4.768 -6.730 1.00 0.00 C ATOM 1295 CE LYS B 19 10.957 4.976 -7.091 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.162 4.966 -8.552 1.00 0.00 N ATOM 0 H LYS B 19 6.602 7.027 -4.929 1.00 0.00 H new ATOM 0 HA LYS B 19 9.277 5.942 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.305 8.035 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.955 7.466 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.551 5.751 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.788 6.347 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.393 4.522 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.085 3.915 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.304 5.924 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.558 4.191 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.136 4.669 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.494 4.302 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.001 5.921 -8.932 1.00 0.00 H new ATOM 1310 N ALA B 20 10.256 8.354 -3.703 1.00 0.00 N ATOM 1311 CA ALA B 20 10.808 9.492 -2.951 1.00 0.00 C ATOM 1312 C ALA B 20 11.612 10.368 -3.924 1.00 0.00 C ATOM 1313 O ALA B 20 11.961 9.903 -5.009 1.00 0.00 O ATOM 1314 CB ALA B 20 11.660 9.004 -1.779 1.00 0.00 C ATOM 0 H ALA B 20 10.941 7.912 -4.315 1.00 0.00 H new ATOM 0 HA ALA B 20 10.003 10.088 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.058 9.862 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.046 8.404 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.484 8.398 -2.156 1.00 0.00 H new ATOM 1320 N SER B 21 11.826 11.641 -3.545 1.00 0.00 N ATOM 1321 CA SER B 21 12.519 12.675 -4.363 1.00 0.00 C ATOM 1322 C SER B 21 13.798 12.190 -5.103 1.00 0.00 C ATOM 1323 O SER B 21 13.987 12.505 -6.288 1.00 0.00 O ATOM 1324 CB SER B 21 12.862 13.879 -3.456 1.00 0.00 C ATOM 1325 OG SER B 21 13.657 13.484 -2.343 1.00 0.00 O ATOM 0 H SER B 21 11.517 11.996 -2.640 1.00 0.00 H new ATOM 0 HA SER B 21 11.823 12.948 -5.156 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.395 14.633 -4.036 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.941 14.342 -3.101 1.00 0.00 H new ATOM 0 HG SER B 21 13.858 14.268 -1.790 1.00 0.00 H new ATOM 1331 N ASN B 22 14.656 11.419 -4.410 1.00 0.00 N ATOM 1332 CA ASN B 22 15.966 10.986 -4.957 1.00 0.00 C ATOM 1333 C ASN B 22 15.848 9.624 -5.694 1.00 0.00 C ATOM 1334 O ASN B 22 16.818 9.151 -6.293 1.00 0.00 O ATOM 1335 CB ASN B 22 17.032 10.926 -3.827 1.00 0.00 C ATOM 1336 CG ASN B 22 16.960 12.110 -2.851 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.576 13.158 -3.063 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.202 11.946 -1.771 1.00 0.00 N ATOM 0 H ASN B 22 14.469 11.079 -3.466 1.00 0.00 H new ATOM 0 HA ASN B 22 16.289 11.724 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.906 9.998 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.025 10.896 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.117 12.699 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN B 22 15.705 11.067 -1.625 1.00 0.00 H new ATOM 1345 N GLY B 23 14.639 9.022 -5.674 1.00 0.00 N ATOM 1346 CA GLY B 23 14.351 7.764 -6.387 1.00 0.00 C ATOM 1347 C GLY B 23 14.245 6.535 -5.495 1.00 0.00 C ATOM 1348 O GLY B 23 14.381 5.411 -5.985 1.00 0.00 O ATOM 0 H GLY B 23 13.839 9.395 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.416 7.879 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.135 7.593 -7.125 1.00 0.00 H new ATOM 1352 N GLU B 24 13.973 6.746 -4.196 1.00 0.00 N ATOM 1353 CA GLU B 24 13.777 5.641 -3.221 1.00 0.00 C ATOM 1354 C GLU B 24 12.351 5.085 -3.349 1.00 0.00 C ATOM 1355 O GLU B 24 11.490 5.725 -3.940 1.00 0.00 O ATOM 1356 CB GLU B 24 14.011 6.105 -1.752 1.00 0.00 C ATOM 1357 CG GLU B 24 15.435 6.574 -1.403 1.00 0.00 C ATOM 1358 CD GLU B 24 15.913 7.785 -2.215 1.00 0.00 C ATOM 1359 OE1 GLU B 24 15.188 8.810 -2.242 1.00 0.00 O ATOM 1360 OE2 GLU B 24 16.994 7.712 -2.844 1.00 0.00 O ATOM 0 H GLU B 24 13.882 7.676 -3.787 1.00 0.00 H new ATOM 0 HA GLU B 24 14.511 4.869 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.320 6.920 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU B 24 13.750 5.282 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.474 6.823 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.127 5.747 -1.562 1.00 0.00 H new ATOM 1367 N THR B 25 12.128 3.887 -2.794 1.00 0.00 N ATOM 1368 CA THR B 25 10.788 3.283 -2.671 1.00 0.00 C ATOM 1369 C THR B 25 10.596 2.814 -1.224 1.00 0.00 C ATOM 1370 O THR B 25 11.550 2.369 -0.579 1.00 0.00 O ATOM 1371 CB THR B 25 10.593 2.087 -3.663 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.921 2.510 -4.989 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.153 1.539 -3.653 1.00 0.00 C ATOM 0 H THR B 25 12.874 3.304 -2.415 1.00 0.00 H new ATOM 0 HA THR B 25 10.040 4.033 -2.929 1.00 0.00 H new ATOM 0 HB THR B 25 11.255 1.285 -3.336 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.801 1.762 -5.610 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.074 0.712 -4.358 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.904 1.187 -2.652 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.461 2.330 -3.942 1.00 0.00 H new ATOM 1381 N MET B 26 9.360 2.927 -0.723 1.00 0.00 N ATOM 1382 CA MET B 26 9.028 2.647 0.689 1.00 0.00 C ATOM 1383 C MET B 26 7.864 1.642 0.824 1.00 0.00 C ATOM 1384 O MET B 26 7.721 1.002 1.872 1.00 0.00 O ATOM 1385 CB MET B 26 8.766 3.987 1.427 1.00 0.00 C ATOM 1386 CG MET B 26 7.969 5.018 0.619 1.00 0.00 C ATOM 1387 SD MET B 26 6.330 4.454 0.173 1.00 0.00 S ATOM 1388 CE MET B 26 5.600 4.256 1.789 1.00 0.00 C ATOM 0 H MET B 26 8.557 3.215 -1.282 1.00 0.00 H new ATOM 0 HA MET B 26 9.877 2.158 1.167 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.230 3.778 2.353 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.724 4.426 1.706 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.884 5.937 1.199 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.521 5.263 -0.288 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.817 3.499 1.744 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.366 3.944 2.499 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.170 5.204 2.113 1.00 0.00 H new ATOM 1398 N PHE B 27 7.032 1.503 -0.230 1.00 0.00 N ATOM 1399 CA PHE B 27 6.057 0.395 -0.317 1.00 0.00 C ATOM 1400 C PHE B 27 5.798 0.008 -1.772 1.00 0.00 C ATOM 1401 O PHE B 27 6.014 0.813 -2.682 1.00 0.00 O ATOM 1402 CB PHE B 27 4.718 0.684 0.449 1.00 0.00 C ATOM 1403 CG PHE B 27 3.598 1.389 -0.328 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.536 2.764 -0.408 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.587 0.672 -0.948 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.528 3.412 -1.073 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.576 1.331 -1.629 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.546 2.696 -1.691 1.00 0.00 C ATOM 0 H PHE B 27 7.015 2.139 -1.027 1.00 0.00 H new ATOM 0 HA PHE B 27 6.511 -0.456 0.190 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.328 -0.266 0.815 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.954 1.290 1.324 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.308 3.350 0.069 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.587 -0.407 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.511 4.491 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE B 27 0.801 0.758 -2.117 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.754 3.201 -2.223 1.00 0.00 H new ATOM 1418 N SER B 28 5.333 -1.240 -1.943 1.00 0.00 N ATOM 1419 CA SER B 28 5.004 -1.834 -3.249 1.00 0.00 C ATOM 1420 C SER B 28 4.216 -3.152 -3.057 1.00 0.00 C ATOM 1421 O SER B 28 3.858 -3.511 -1.930 1.00 0.00 O ATOM 1422 CB SER B 28 6.320 -2.077 -4.058 1.00 0.00 C ATOM 1423 OG SER B 28 6.079 -2.529 -5.385 1.00 0.00 O ATOM 0 H SER B 28 5.172 -1.877 -1.162 1.00 0.00 H new ATOM 0 HA SER B 28 4.371 -1.147 -3.811 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.895 -1.151 -4.094 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.932 -2.812 -3.535 1.00 0.00 H new ATOM 0 HG SER B 28 5.250 -2.129 -5.721 1.00 0.00 H new ATOM 1429 N SER B 29 3.854 -3.778 -4.193 1.00 0.00 N ATOM 1430 CA SER B 29 3.555 -5.238 -4.330 1.00 0.00 C ATOM 1431 C SER B 29 2.055 -5.573 -4.207 1.00 0.00 C ATOM 1432 O SER B 29 1.681 -6.731 -4.005 1.00 0.00 O ATOM 1433 CB SER B 29 4.439 -6.152 -3.408 1.00 0.00 C ATOM 1434 OG SER B 29 4.002 -6.178 -2.056 1.00 0.00 O ATOM 0 H SER B 29 3.755 -3.276 -5.075 1.00 0.00 H new ATOM 0 HA SER B 29 3.839 -5.476 -5.355 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.434 -7.168 -3.804 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.470 -5.801 -3.442 1.00 0.00 H new ATOM 0 HG SER B 29 3.926 -5.261 -1.719 1.00 0.00 H new ATOM 1440 N GLU B 30 1.214 -4.568 -4.403 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.253 -4.698 -4.415 1.00 0.00 C ATOM 1442 C GLU B 30 -0.776 -4.643 -5.886 1.00 0.00 C ATOM 1443 O GLU B 30 -0.803 -5.667 -6.568 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.911 -3.597 -3.491 1.00 0.00 C ATOM 1445 CG GLU B 30 0.063 -2.549 -2.868 1.00 0.00 C ATOM 1446 CD GLU B 30 0.848 -1.675 -3.867 1.00 0.00 C ATOM 1447 OE1 GLU B 30 0.546 -1.673 -5.060 1.00 0.00 O ATOM 1448 OE2 GLU B 30 1.810 -1.046 -3.469 1.00 0.00 O ATOM 0 H GLU B 30 1.531 -3.612 -4.563 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.542 -5.665 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.661 -3.063 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.437 -4.100 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -0.512 -1.892 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU B 30 0.779 -3.078 -2.238 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.174 -3.436 -6.358 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.794 -3.233 -7.680 1.00 0.00 C ATOM 1457 C GLY B 31 -3.315 -3.336 -7.614 1.00 0.00 C ATOM 1458 O GLY B 31 -4.014 -2.871 -8.522 1.00 0.00 O ATOM 0 H GLY B 31 -1.071 -2.573 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.512 -2.254 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.409 -3.975 -8.380 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.790 -3.981 -6.522 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.195 -4.099 -6.106 1.00 0.00 C ATOM 1464 C TYR B 32 -5.931 -5.179 -6.931 1.00 0.00 C ATOM 1465 O TYR B 32 -6.480 -6.130 -6.363 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.939 -2.721 -6.117 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.261 -2.698 -5.332 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.384 -3.382 -4.116 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.368 -1.982 -5.786 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.554 -3.353 -3.394 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.543 -1.955 -5.063 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.628 -2.641 -3.868 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.792 -2.614 -3.142 1.00 0.00 O ATOM 0 H TYR B 32 -3.161 -4.458 -5.875 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.201 -4.429 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.274 -1.961 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.141 -2.441 -7.151 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.543 -3.944 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.305 -1.440 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.628 -3.888 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.393 -1.399 -5.431 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.585 -2.458 -2.197 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.926 -5.023 -8.264 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.529 -5.986 -9.209 1.00 0.00 C ATOM 1485 C LYS B 33 -5.921 -5.785 -10.606 1.00 0.00 C ATOM 1486 O LYS B 33 -5.379 -6.715 -11.213 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.077 -5.799 -9.250 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.823 -6.590 -10.355 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.694 -8.119 -10.216 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.319 -8.644 -8.916 1.00 0.00 C ATOM 1491 NZ LYS B 33 -9.195 -10.115 -8.801 1.00 0.00 N ATOM 0 H LYS B 33 -5.500 -4.218 -8.724 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.316 -7.002 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.485 -6.091 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.293 -4.739 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.879 -6.320 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.437 -6.289 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.175 -8.600 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.640 -8.396 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.834 -8.171 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.372 -8.364 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.629 -10.431 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.680 -10.568 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.189 -10.380 -8.810 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.023 -4.553 -11.093 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.581 -4.150 -12.438 1.00 0.00 C ATOM 1507 C ALA B 34 -5.032 -2.729 -12.350 1.00 0.00 C ATOM 1508 O ALA B 34 -4.987 -2.171 -11.246 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.761 -4.250 -13.419 1.00 0.00 C ATOM 0 H ALA B 34 -6.424 -3.783 -10.557 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.795 -4.808 -12.808 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.433 -3.951 -14.415 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.123 -5.278 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.565 -3.592 -13.089 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.619 -2.117 -13.485 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.068 -0.749 -13.460 1.00 0.00 C ATOM 1517 C LYS B 35 -5.180 0.262 -13.127 1.00 0.00 C ATOM 1518 O LYS B 35 -4.953 1.182 -12.366 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.320 -0.387 -14.782 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.177 -0.311 -16.077 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.758 1.099 -16.355 1.00 0.00 C ATOM 1522 CE LYS B 35 -5.677 1.127 -17.583 1.00 0.00 C ATOM 1523 NZ LYS B 35 -6.139 2.498 -17.895 1.00 0.00 N ATOM 0 H LYS B 35 -4.657 -2.542 -14.411 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.317 -0.702 -12.672 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.831 0.577 -14.642 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.533 -1.124 -14.939 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.565 -0.617 -16.926 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.998 -1.025 -16.002 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.315 1.437 -15.481 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.939 1.803 -16.503 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.146 0.718 -18.443 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -6.540 0.485 -17.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -6.757 2.474 -18.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -6.667 2.879 -17.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -5.317 3.105 -18.089 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.390 0.055 -13.693 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.562 0.916 -13.425 1.00 0.00 C ATOM 1539 C ALA B 36 -7.899 0.917 -11.927 1.00 0.00 C ATOM 1540 O ALA B 36 -8.081 1.977 -11.320 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.776 0.469 -14.262 1.00 0.00 C ATOM 0 H ALA B 36 -6.580 -0.707 -14.343 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.311 1.935 -13.719 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.625 1.118 -14.047 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.530 0.532 -15.322 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.033 -0.560 -14.010 1.00 0.00 H new ATOM 1547 N SER B 37 -7.913 -0.291 -11.335 1.00 0.00 N ATOM 1548 CA SER B 37 -8.124 -0.494 -9.894 1.00 0.00 C ATOM 1549 C SER B 37 -6.951 0.086 -9.080 1.00 0.00 C ATOM 1550 O SER B 37 -7.129 0.470 -7.924 1.00 0.00 O ATOM 1551 CB SER B 37 -8.270 -1.999 -9.593 1.00 0.00 C ATOM 1552 OG SER B 37 -9.273 -2.582 -10.405 1.00 0.00 O ATOM 0 H SER B 37 -7.777 -1.161 -11.850 1.00 0.00 H new ATOM 0 HA SER B 37 -9.037 0.027 -9.605 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.319 -2.502 -9.766 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.520 -2.141 -8.542 1.00 0.00 H new ATOM 0 HG SER B 37 -9.791 -3.224 -9.875 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.755 0.131 -9.712 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.538 0.670 -9.095 1.00 0.00 C ATOM 1560 C ALA B 38 -4.630 2.198 -8.939 1.00 0.00 C ATOM 1561 O ALA B 38 -4.392 2.683 -7.845 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.278 0.268 -9.880 1.00 0.00 C ATOM 0 H ALA B 38 -5.615 -0.207 -10.664 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.454 0.233 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.397 0.686 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.197 -0.819 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.346 0.652 -10.898 1.00 0.00 H new ATOM 1568 N ILE B 39 -4.976 2.956 -10.031 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.193 4.430 -9.948 1.00 0.00 C ATOM 1570 C ILE B 39 -6.236 4.746 -8.856 1.00 0.00 C ATOM 1571 O ILE B 39 -5.956 5.525 -7.951 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.656 5.122 -11.321 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.511 5.172 -12.403 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.203 6.567 -11.085 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.329 3.939 -13.262 1.00 0.00 C ATOM 0 H ILE B 39 -5.108 2.569 -10.966 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.217 4.850 -9.706 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.456 4.490 -11.706 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -4.703 6.019 -13.061 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.569 5.372 -11.892 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.506 7.001 -12.038 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.062 6.526 -10.415 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.423 7.183 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.511 4.102 -13.964 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.097 3.084 -12.627 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.248 3.742 -13.814 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.414 4.083 -8.942 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.566 4.317 -8.028 1.00 0.00 C ATOM 1589 C HIS B 40 -8.162 4.071 -6.558 1.00 0.00 C ATOM 1590 O HIS B 40 -8.550 4.839 -5.643 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.770 3.406 -8.397 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.263 3.520 -9.813 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.063 2.565 -10.395 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.065 4.461 -10.763 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -11.333 2.917 -11.633 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -10.736 4.059 -11.886 1.00 0.00 N ATOM 0 H HIS B 40 -7.596 3.369 -9.647 1.00 0.00 H new ATOM 0 HA HIS B 40 -8.867 5.358 -8.144 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.488 2.369 -8.212 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.596 3.636 -7.724 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.484 5.365 -10.655 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -11.944 2.359 -12.327 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -10.767 4.563 -12.772 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.363 3.002 -6.341 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.771 2.701 -5.037 1.00 0.00 C ATOM 1607 C ALA B 41 -5.936 3.896 -4.579 1.00 0.00 C ATOM 1608 O ALA B 41 -6.200 4.473 -3.546 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.909 1.419 -5.104 1.00 0.00 C ATOM 0 H ALA B 41 -7.117 2.331 -7.069 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.567 2.520 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.480 1.217 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.531 0.578 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.107 1.557 -5.829 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.978 4.302 -5.407 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.094 5.450 -5.138 1.00 0.00 C ATOM 1617 C ILE B 42 -4.887 6.764 -4.915 1.00 0.00 C ATOM 1618 O ILE B 42 -4.425 7.655 -4.207 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.064 5.603 -6.304 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.179 4.323 -6.395 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.198 6.870 -6.149 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.403 4.186 -7.678 1.00 0.00 C ATOM 0 H ILE B 42 -4.785 3.842 -6.297 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.559 5.253 -4.209 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.619 5.718 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.478 4.322 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.817 3.447 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.497 6.936 -6.981 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.840 7.751 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.645 6.820 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.817 3.268 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.095 4.151 -8.520 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.735 5.040 -7.792 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.111 6.852 -5.453 1.00 0.00 N ATOM 1635 CA GLU B 43 -6.956 8.043 -5.282 1.00 0.00 C ATOM 1636 C GLU B 43 -7.459 8.138 -3.833 1.00 0.00 C ATOM 1637 O GLU B 43 -7.728 9.244 -3.349 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.101 8.098 -6.318 1.00 0.00 C ATOM 1639 CG GLU B 43 -7.616 8.221 -7.784 1.00 0.00 C ATOM 1640 CD GLU B 43 -6.530 9.304 -7.995 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -6.874 10.506 -8.046 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -5.326 8.960 -8.115 1.00 0.00 O ATOM 0 H GLU B 43 -6.539 6.113 -6.011 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.345 8.925 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.709 7.198 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -8.746 8.945 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.223 7.258 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -8.470 8.448 -8.422 1.00 0.00 H new ATOM 1649 N SER B 44 -7.562 6.973 -3.139 1.00 0.00 N ATOM 1650 CA SER B 44 -7.710 6.936 -1.659 1.00 0.00 C ATOM 1651 C SER B 44 -6.603 7.723 -0.958 1.00 0.00 C ATOM 1652 O SER B 44 -6.844 8.373 0.069 1.00 0.00 O ATOM 1653 CB SER B 44 -7.646 5.488 -1.126 1.00 0.00 C ATOM 1654 OG SER B 44 -8.837 4.769 -1.411 1.00 0.00 O ATOM 0 H SER B 44 -7.545 6.052 -3.578 1.00 0.00 H new ATOM 0 HA SER B 44 -8.681 7.383 -1.445 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.795 4.973 -1.572 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.480 5.504 -0.049 1.00 0.00 H new ATOM 0 HG SER B 44 -9.248 4.471 -0.573 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.377 7.627 -1.495 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.220 8.257 -0.884 1.00 0.00 C ATOM 1662 C ILE B 45 -4.345 9.792 -1.012 1.00 0.00 C ATOM 1663 O ILE B 45 -4.063 10.533 -0.066 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.840 7.763 -1.483 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.827 6.225 -1.785 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.723 8.088 -0.490 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.783 5.327 -0.567 1.00 0.00 C ATOM 0 H ILE B 45 -5.172 7.116 -2.353 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.213 7.963 0.165 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.689 8.281 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.715 5.978 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.964 6.002 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.768 7.751 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.687 9.164 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.917 7.580 0.455 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.777 4.284 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.881 5.537 0.007 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.660 5.513 0.054 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.844 10.243 -2.186 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.051 11.690 -2.503 1.00 0.00 C ATOM 1681 C LYS B 46 -6.194 12.304 -1.696 1.00 0.00 C ATOM 1682 O LYS B 46 -6.310 13.532 -1.607 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.277 11.926 -4.039 1.00 0.00 C ATOM 1684 CG LYS B 46 -3.996 11.804 -4.902 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.366 10.392 -4.836 1.00 0.00 C ATOM 1686 CE LYS B 46 -1.857 10.376 -4.972 1.00 0.00 C ATOM 1687 NZ LYS B 46 -1.416 10.444 -6.385 1.00 0.00 N ATOM 0 H LYS B 46 -5.117 9.620 -2.946 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.131 12.197 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.013 11.208 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.704 12.919 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -4.236 12.042 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -3.265 12.540 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.639 9.929 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.797 9.777 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -1.437 11.218 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.463 9.468 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -0.510 9.945 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.131 9.996 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -1.298 11.439 -6.664 1.00 0.00 H new ATOM 1701 N ARG B 47 -7.018 11.434 -1.109 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.161 11.858 -0.261 1.00 0.00 C ATOM 1703 C ARG B 47 -7.668 12.608 0.998 1.00 0.00 C ATOM 1704 O ARG B 47 -7.977 13.792 1.176 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.065 10.653 0.148 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.867 10.019 -1.005 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.843 11.017 -1.660 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.879 11.495 -0.730 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.654 12.575 -0.912 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -12.539 13.327 -2.005 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -13.545 12.889 0.012 1.00 0.00 N ATOM 0 H ARG B 47 -6.923 10.422 -1.199 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.766 12.538 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.438 9.885 0.600 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.763 10.986 0.916 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.177 9.641 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.426 9.163 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.282 11.870 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.321 10.542 -2.516 1.00 0.00 H new ATOM 0 HE ARG B 47 -12.020 10.959 0.126 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.853 13.085 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.137 14.145 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.636 12.313 0.849 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -14.142 13.707 -0.112 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.872 11.915 1.834 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.438 12.447 3.154 1.00 0.00 C ATOM 1727 C ASN B 48 -5.395 11.522 3.812 1.00 0.00 C ATOM 1728 O ASN B 48 -5.198 11.569 5.024 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.663 12.672 4.105 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.354 13.501 5.364 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -6.542 14.427 5.330 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.982 13.162 6.483 1.00 0.00 N ATOM 0 H ASN B 48 -6.512 10.984 1.625 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.966 13.414 2.980 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.455 13.169 3.544 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.051 11.701 4.412 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.798 13.673 7.346 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.649 12.390 6.480 1.00 0.00 H new ATOM 1739 N SER B 49 -4.738 10.660 3.024 1.00 0.00 N ATOM 1740 CA SER B 49 -3.785 9.665 3.562 1.00 0.00 C ATOM 1741 C SER B 49 -2.548 10.319 4.204 1.00 0.00 C ATOM 1742 O SER B 49 -1.976 9.771 5.149 1.00 0.00 O ATOM 1743 CB SER B 49 -3.349 8.718 2.464 1.00 0.00 C ATOM 1744 OG SER B 49 -2.586 7.647 2.960 1.00 0.00 O ATOM 0 H SER B 49 -4.846 10.628 2.010 1.00 0.00 H new ATOM 0 HA SER B 49 -4.306 9.115 4.345 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.229 8.329 1.951 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.765 9.266 1.724 1.00 0.00 H new ATOM 0 HG SER B 49 -2.996 7.306 3.782 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.135 11.483 3.674 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.091 12.315 4.301 1.00 0.00 C ATOM 1752 C ALA B 50 -1.520 12.802 5.704 1.00 0.00 C ATOM 1753 O ALA B 50 -0.681 13.026 6.577 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.718 13.496 3.394 1.00 0.00 C ATOM 0 H ALA B 50 -2.510 11.871 2.809 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.205 11.694 4.430 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.054 14.096 3.877 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.343 13.120 2.442 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.600 14.112 3.218 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.843 12.953 5.898 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.421 13.313 7.191 1.00 0.00 C ATOM 1762 C GLY B 51 -3.984 12.121 7.964 1.00 0.00 C ATOM 1763 O GLY B 51 -4.533 12.308 9.054 1.00 0.00 O ATOM 0 H GLY B 51 -3.535 12.827 5.159 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.658 13.801 7.797 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.216 14.041 7.034 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.873 10.896 7.391 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.291 9.649 8.062 1.00 0.00 C ATOM 1769 C ALA B 52 -3.331 9.295 9.213 1.00 0.00 C ATOM 1770 O ALA B 52 -2.237 9.870 9.327 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.394 8.490 7.050 1.00 0.00 C ATOM 0 H ALA B 52 -3.493 10.750 6.456 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.280 9.810 8.490 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.703 7.582 7.567 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.129 8.740 6.284 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.423 8.328 6.582 1.00 0.00 H new ATOM 1777 N ASP B 53 -3.746 8.349 10.068 1.00 0.00 N ATOM 1778 CA ASP B 53 -2.929 7.899 11.214 1.00 0.00 C ATOM 1779 C ASP B 53 -2.169 6.607 10.844 1.00 0.00 C ATOM 1780 O ASP B 53 -2.462 5.970 9.824 1.00 0.00 O ATOM 1781 CB ASP B 53 -3.831 7.685 12.462 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.014 7.597 13.767 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -2.562 8.650 14.259 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -2.771 6.484 14.278 1.00 0.00 O ATOM 0 H ASP B 53 -4.646 7.876 9.990 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.195 8.667 11.457 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -4.544 8.506 12.537 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -4.410 6.770 12.336 1.00 0.00 H new ATOM 1789 N THR B 54 -1.147 6.274 11.637 1.00 0.00 N ATOM 1790 CA THR B 54 -0.374 5.028 11.503 1.00 0.00 C ATOM 1791 C THR B 54 -0.583 4.152 12.757 1.00 0.00 C ATOM 1792 O THR B 54 0.011 4.406 13.814 1.00 0.00 O ATOM 1793 CB THR B 54 1.145 5.349 11.294 1.00 0.00 C ATOM 1794 OG1 THR B 54 1.298 6.264 10.199 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.977 4.089 11.013 1.00 0.00 C ATOM 0 H THR B 54 -0.826 6.868 12.402 1.00 0.00 H new ATOM 0 HA THR B 54 -0.725 4.479 10.629 1.00 0.00 H new ATOM 0 HB THR B 54 1.511 5.791 12.220 1.00 0.00 H new ATOM 0 HG1 THR B 54 2.199 6.648 10.217 1.00 0.00 H new ATOM 0 HG21 THR B 54 3.022 4.366 10.876 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.891 3.401 11.854 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.609 3.604 10.109 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.467 3.145 12.640 1.00 0.00 N ATOM 1804 CA VAL B 55 -1.825 2.238 13.751 1.00 0.00 C ATOM 1805 C VAL B 55 -1.176 0.859 13.520 1.00 0.00 C ATOM 1806 O VAL B 55 -1.342 0.267 12.452 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.387 2.063 13.876 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -3.781 1.290 15.160 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.112 3.421 13.768 1.00 0.00 C ATOM 0 H VAL B 55 -1.956 2.935 11.770 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.456 2.679 14.677 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.717 1.454 13.035 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -4.866 1.192 15.207 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.327 0.299 15.142 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.428 1.835 16.036 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.187 3.267 13.858 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -3.771 4.080 14.567 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -3.890 3.876 12.803 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.421 0.372 14.514 1.00 0.00 N ATOM 1820 CA ASP B 56 0.207 -0.962 14.467 1.00 0.00 C ATOM 1821 C ASP B 56 -0.641 -1.967 15.278 1.00 0.00 C ATOM 1822 O ASP B 56 -0.716 -1.877 16.509 1.00 0.00 O ATOM 1823 CB ASP B 56 1.662 -0.878 15.001 1.00 0.00 C ATOM 1824 CG ASP B 56 2.417 -2.214 14.932 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.246 -3.056 15.831 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.171 -2.432 13.978 1.00 0.00 O ATOM 0 H ASP B 56 -0.227 0.887 15.372 1.00 0.00 H new ATOM 0 HA ASP B 56 0.250 -1.314 13.436 1.00 0.00 H new ATOM 0 HB2 ASP B 56 2.209 -0.130 14.427 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.642 -0.534 16.035 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.297 -2.894 14.564 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.109 -3.968 15.164 1.00 0.00 C ATOM 1833 C LEU B 57 -1.248 -5.105 15.755 1.00 0.00 C ATOM 1834 O LEU B 57 -1.727 -5.865 16.599 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.063 -4.558 14.095 1.00 0.00 C ATOM 1836 CG LEU B 57 -3.985 -3.542 13.358 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.886 -4.278 12.352 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -4.805 -2.685 14.356 1.00 0.00 C ATOM 0 H LEU B 57 -1.280 -2.921 13.545 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.674 -3.522 15.983 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.462 -5.078 13.349 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.693 -5.307 14.575 1.00 0.00 H new ATOM 0 HG LEU B 57 -3.356 -2.847 12.801 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.526 -3.558 11.843 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -4.267 -4.795 11.619 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -5.505 -5.003 12.880 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -5.436 -1.988 13.804 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -5.431 -3.336 14.966 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -4.126 -2.127 15.000 1.00 0.00 H new ATOM 1850 N THR B 58 0.018 -5.229 15.325 1.00 0.00 N ATOM 1851 CA THR B 58 0.860 -6.392 15.689 1.00 0.00 C ATOM 1852 C THR B 58 1.712 -6.100 16.957 1.00 0.00 C ATOM 1853 O THR B 58 2.656 -6.833 17.276 1.00 0.00 O ATOM 1854 CB THR B 58 1.718 -6.860 14.462 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.394 -8.087 14.740 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.729 -5.811 13.985 1.00 0.00 C ATOM 0 H THR B 58 0.484 -4.545 14.728 1.00 0.00 H new ATOM 0 HA THR B 58 0.209 -7.226 15.952 1.00 0.00 H new ATOM 0 HB THR B 58 1.005 -7.010 13.652 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.708 -8.084 15.668 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.286 -6.203 13.134 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.200 -4.906 13.686 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.420 -5.577 14.795 1.00 0.00 H new ATOM 1864 N THR B 59 1.335 -5.036 17.702 1.00 0.00 N ATOM 1865 CA THR B 59 1.809 -4.787 19.084 1.00 0.00 C ATOM 1866 C THR B 59 0.847 -5.495 20.057 1.00 0.00 C ATOM 1867 O THR B 59 1.198 -5.803 21.198 1.00 0.00 O ATOM 1868 CB THR B 59 1.852 -3.251 19.422 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.703 -2.605 18.853 1.00 0.00 O ATOM 1870 CG2 THR B 59 3.134 -2.560 18.923 1.00 0.00 C ATOM 0 H THR B 59 0.691 -4.323 17.361 1.00 0.00 H new ATOM 0 HA THR B 59 2.824 -5.173 19.179 1.00 0.00 H new ATOM 0 HB THR B 59 1.846 -3.161 20.508 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.728 -1.648 19.064 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.104 -1.503 19.187 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.003 -3.025 19.389 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.204 -2.662 17.840 1.00 0.00 H new ATOM 1878 N MET B 60 -0.389 -5.710 19.577 1.00 0.00 N ATOM 1879 CA MET B 60 -1.438 -6.449 20.288 1.00 0.00 C ATOM 1880 C MET B 60 -1.674 -7.798 19.586 1.00 0.00 C ATOM 1881 O MET B 60 -1.006 -8.128 18.595 1.00 0.00 O ATOM 1882 CB MET B 60 -2.751 -5.614 20.302 1.00 0.00 C ATOM 1883 CG MET B 60 -2.645 -4.271 21.036 1.00 0.00 C ATOM 1884 SD MET B 60 -4.177 -3.307 20.995 1.00 0.00 S ATOM 1885 CE MET B 60 -5.354 -4.434 21.730 1.00 0.00 C ATOM 0 H MET B 60 -0.690 -5.367 18.665 1.00 0.00 H new ATOM 0 HA MET B 60 -1.127 -6.630 21.317 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.059 -5.428 19.273 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.538 -6.207 20.768 1.00 0.00 H new ATOM 0 HG2 MET B 60 -2.367 -4.454 22.074 1.00 0.00 H new ATOM 0 HG3 MET B 60 -1.843 -3.684 20.590 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.248 -3.885 22.025 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.623 -5.203 21.006 1.00 0.00 H new ATOM 0 HE3 MET B 60 -4.910 -4.902 22.608 1.00 0.00 H new ATOM 1895 N THR B 61 -2.612 -8.580 20.133 1.00 0.00 N ATOM 1896 CA THR B 61 -3.080 -9.830 19.518 1.00 0.00 C ATOM 1897 C THR B 61 -4.406 -9.595 18.771 1.00 0.00 C ATOM 1898 O THR B 61 -4.583 -10.050 17.639 1.00 0.00 O ATOM 1899 CB THR B 61 -3.249 -10.941 20.600 1.00 0.00 C ATOM 1900 OG1 THR B 61 -4.066 -10.464 21.678 1.00 0.00 O ATOM 1901 CG2 THR B 61 -1.899 -11.409 21.162 1.00 0.00 C ATOM 0 H THR B 61 -3.070 -8.364 21.018 1.00 0.00 H new ATOM 0 HA THR B 61 -2.333 -10.164 18.798 1.00 0.00 H new ATOM 0 HB THR B 61 -3.729 -11.790 20.113 1.00 0.00 H new ATOM 0 HG1 THR B 61 -4.166 -11.170 22.350 1.00 0.00 H new ATOM 0 HG21 THR B 61 -2.065 -12.183 21.912 1.00 0.00 H new ATOM 0 HG22 THR B 61 -1.289 -11.812 20.354 1.00 0.00 H new ATOM 0 HG23 THR B 61 -1.383 -10.565 21.620 1.00 0.00 H new ATOM 1909 N ALA B 62 -5.330 -8.865 19.419 1.00 0.00 N ATOM 1910 CA ALA B 62 -6.662 -8.560 18.873 1.00 0.00 C ATOM 1911 C ALA B 62 -7.295 -7.397 19.678 1.00 0.00 C ATOM 1912 O ALA B 62 -7.680 -7.622 20.847 1.00 0.00 O ATOM 1913 CB ALA B 62 -7.566 -9.820 18.894 1.00 0.00 C ATOM 1914 OXT ALA B 62 -7.428 -6.276 19.141 1.00 0.00 O ATOM 0 H ALA B 62 -5.171 -8.467 20.345 1.00 0.00 H new ATOM 0 HA ALA B 62 -6.563 -8.250 17.833 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -8.546 -9.572 18.486 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -7.110 -10.605 18.291 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -7.678 -10.170 19.920 1.00 0.00 H new TER 1920 ALA B 62