USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 925 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 53 GLN : amide:sc= 0.346 K(o=2.2,f=-10!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.501 K(o=2.2,f=-2.1) USER MOD Set 1.3: A 95 LYS NZ :NH3+ -137:sc= 1.76 (180deg=1.18) USER MOD Set 1.4: A 99 HIS : no HD1:sc= 0.582 K(o=2.2,f=-2.6!) USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 72 ASN : amide:sc= 1.02 K(o=1,f=-5.8!) USER MOD Set 3.1: A 62 THR OG1 : rot 82:sc= 1.3 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.932 K(o=2.2,f=-2.5) USER MOD Set 4.1: A 27 HIS :FLIP no HE2:sc= 0.2 F(o=-0.76,f=0.2) USER MOD Set 4.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0321 (180deg=-0.295) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 7 TYR OH : rot 176:sc= -1.57! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.157 F(o=-1.7!,f=-0.16) USER MOD Single : A 12 TYR OH : rot -70:sc= -2.57! USER MOD Single : A 15 ASN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.0414 F(o=-1.1,f=0.041) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= -1.71! (180deg=-4.64!) USER MOD Single : A 28 TYR OH : rot 84:sc= -0.44 USER MOD Single : A 30 SER OG : rot 95:sc= 1.28 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.0014) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0149 (180deg=-0.221) USER MOD Single : A 38 HIS : no HE2:sc= -1.53 X(o=-1.5,f=-1.4) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.19 (180deg=1.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0369) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.04) USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.135 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0.994 (180deg=0.942) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.23! C(o=-2.2!,f=-1.9!) USER MOD Single : A 84 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.7) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00788 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 106 HIS : no HD1:sc=-0.00315 X(o=-0.0031,f=-0.23) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0099) USER MOD Single : A 110 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.599 9.661 14.350 1.00 73.24 N ATOM 2 CA MET A 1 3.936 9.424 12.927 1.00 51.41 C ATOM 3 C MET A 1 4.608 8.069 12.755 1.00 21.33 C ATOM 4 O MET A 1 5.754 7.874 13.161 1.00 64.44 O ATOM 5 CB MET A 1 4.865 10.520 12.393 1.00 23.23 C ATOM 6 CG MET A 1 4.209 11.885 12.274 1.00 25.22 C ATOM 7 SD MET A 1 5.284 13.099 11.483 1.00 14.00 S ATOM 8 CE MET A 1 6.604 13.240 12.683 1.00 3.31 C ATOM 0 H1 MET A 1 3.141 10.590 14.448 1.00 73.24 H new ATOM 0 H2 MET A 1 2.950 8.919 14.681 1.00 73.24 H new ATOM 0 H3 MET A 1 4.468 9.641 14.921 1.00 73.24 H new ATOM 0 HA MET A 1 3.005 9.441 12.360 1.00 51.41 H new ATOM 0 HB2 MET A 1 5.730 10.601 13.051 1.00 23.23 H new ATOM 0 HB3 MET A 1 5.237 10.221 11.413 1.00 23.23 H new ATOM 0 HG2 MET A 1 3.286 11.793 11.701 1.00 25.22 H new ATOM 0 HG3 MET A 1 3.933 12.240 13.267 1.00 25.22 H new ATOM 0 HE1 MET A 1 7.206 14.121 12.460 1.00 3.31 H new ATOM 0 HE2 MET A 1 6.179 13.335 13.682 1.00 3.31 H new ATOM 0 HE3 MET A 1 7.232 12.350 12.639 1.00 3.31 H new ATOM 20 N ILE A 2 3.878 7.138 12.162 1.00 64.25 N ATOM 21 CA ILE A 2 4.377 5.792 11.926 1.00 54.24 C ATOM 22 C ILE A 2 4.889 5.652 10.489 1.00 55.02 C ATOM 23 O ILE A 2 4.487 6.412 9.601 1.00 12.33 O ATOM 24 CB ILE A 2 3.258 4.754 12.191 1.00 31.41 C ATOM 25 CG1 ILE A 2 3.787 3.319 12.102 1.00 3.34 C ATOM 26 CG2 ILE A 2 2.112 4.954 11.210 1.00 54.00 C ATOM 27 CD1 ILE A 2 2.748 2.263 12.425 1.00 72.31 C ATOM 0 H ILE A 2 2.926 7.293 11.831 1.00 64.25 H new ATOM 0 HA ILE A 2 5.205 5.607 12.611 1.00 54.24 H new ATOM 0 HB ILE A 2 2.893 4.911 13.206 1.00 31.41 H new ATOM 0 HG12 ILE A 2 4.169 3.144 11.096 1.00 3.34 H new ATOM 0 HG13 ILE A 2 4.628 3.209 12.786 1.00 3.34 H new ATOM 0 HG21 ILE A 2 1.332 4.218 11.407 1.00 54.00 H new ATOM 0 HG22 ILE A 2 1.703 5.957 11.328 1.00 54.00 H new ATOM 0 HG23 ILE A 2 2.479 4.830 10.191 1.00 54.00 H new ATOM 0 HD11 ILE A 2 3.197 1.273 12.341 1.00 72.31 H new ATOM 0 HD12 ILE A 2 2.383 2.411 13.441 1.00 72.31 H new ATOM 0 HD13 ILE A 2 1.916 2.345 11.725 1.00 72.31 H new ATOM 39 N THR A 3 5.800 4.710 10.274 1.00 74.43 N ATOM 40 CA THR A 3 6.270 4.388 8.934 1.00 51.32 C ATOM 41 C THR A 3 5.126 3.844 8.084 1.00 44.30 C ATOM 42 O THR A 3 4.277 3.106 8.587 1.00 22.23 O ATOM 43 CB THR A 3 7.405 3.349 8.978 1.00 22.14 C ATOM 44 OG1 THR A 3 6.996 2.215 9.757 1.00 44.33 O ATOM 45 CG2 THR A 3 8.671 3.952 9.568 1.00 23.35 C ATOM 0 H THR A 3 6.229 4.155 11.014 1.00 74.43 H new ATOM 0 HA THR A 3 6.651 5.308 8.490 1.00 51.32 H new ATOM 0 HB THR A 3 7.620 3.031 7.958 1.00 22.14 H new ATOM 0 HG1 THR A 3 7.721 1.556 9.781 1.00 44.33 H new ATOM 0 HG21 THR A 3 9.458 3.198 9.588 1.00 23.35 H new ATOM 0 HG22 THR A 3 8.992 4.795 8.956 1.00 23.35 H new ATOM 0 HG23 THR A 3 8.472 4.296 10.583 1.00 23.35 H new ATOM 53 N PHE A 4 5.110 4.202 6.804 1.00 42.50 N ATOM 54 CA PHE A 4 4.026 3.808 5.908 1.00 72.44 C ATOM 55 C PHE A 4 3.915 2.289 5.792 1.00 33.15 C ATOM 56 O PHE A 4 2.813 1.740 5.821 1.00 11.12 O ATOM 57 CB PHE A 4 4.228 4.426 4.522 1.00 13.25 C ATOM 58 CG PHE A 4 3.191 4.007 3.517 1.00 34.41 C ATOM 59 CD1 PHE A 4 1.845 4.241 3.752 1.00 63.44 C ATOM 60 CD2 PHE A 4 3.562 3.375 2.342 1.00 12.43 C ATOM 61 CE1 PHE A 4 0.891 3.851 2.834 1.00 42.13 C ATOM 62 CE2 PHE A 4 2.610 2.982 1.419 1.00 34.51 C ATOM 63 CZ PHE A 4 1.273 3.222 1.666 1.00 63.10 C ATOM 0 H PHE A 4 5.837 4.765 6.362 1.00 42.50 H new ATOM 0 HA PHE A 4 3.095 4.181 6.335 1.00 72.44 H new ATOM 0 HB2 PHE A 4 4.215 5.512 4.613 1.00 13.25 H new ATOM 0 HB3 PHE A 4 5.214 4.149 4.150 1.00 13.25 H new ATOM 0 HD1 PHE A 4 1.540 4.734 4.663 1.00 63.44 H new ATOM 0 HD2 PHE A 4 4.607 3.187 2.144 1.00 12.43 H new ATOM 0 HE1 PHE A 4 -0.155 4.038 3.029 1.00 42.13 H new ATOM 0 HE2 PHE A 4 2.912 2.488 0.507 1.00 34.51 H new ATOM 0 HZ PHE A 4 0.527 2.918 0.947 1.00 63.10 H new ATOM 73 N ALA A 5 5.054 1.616 5.665 1.00 31.51 N ATOM 74 CA ALA A 5 5.072 0.162 5.535 1.00 14.51 C ATOM 75 C ALA A 5 4.411 -0.507 6.734 1.00 23.31 C ATOM 76 O ALA A 5 3.454 -1.268 6.582 1.00 22.42 O ATOM 77 CB ALA A 5 6.497 -0.342 5.377 1.00 35.50 C ATOM 0 H ALA A 5 5.976 2.053 5.649 1.00 31.51 H new ATOM 0 HA ALA A 5 4.503 -0.099 4.642 1.00 14.51 H new ATOM 0 HB1 ALA A 5 6.490 -1.428 5.282 1.00 35.50 H new ATOM 0 HB2 ALA A 5 6.942 0.098 4.484 1.00 35.50 H new ATOM 0 HB3 ALA A 5 7.082 -0.058 6.252 1.00 35.50 H new ATOM 83 N ASP A 6 4.913 -0.197 7.923 1.00 65.12 N ATOM 84 CA ASP A 6 4.406 -0.798 9.154 1.00 21.04 C ATOM 85 C ASP A 6 2.949 -0.412 9.377 1.00 11.42 C ATOM 86 O ASP A 6 2.156 -1.209 9.874 1.00 55.25 O ATOM 87 CB ASP A 6 5.262 -0.364 10.348 1.00 72.40 C ATOM 88 CG ASP A 6 4.904 -1.096 11.627 1.00 62.14 C ATOM 89 OD1 ASP A 6 4.867 -2.346 11.612 1.00 21.53 O ATOM 90 OD2 ASP A 6 4.685 -0.425 12.658 1.00 20.34 O ATOM 0 H ASP A 6 5.673 0.469 8.063 1.00 65.12 H new ATOM 0 HA ASP A 6 4.464 -1.882 9.059 1.00 21.04 H new ATOM 0 HB2 ASP A 6 6.313 -0.538 10.118 1.00 72.40 H new ATOM 0 HB3 ASP A 6 5.143 0.708 10.503 1.00 72.40 H new ATOM 95 N TYR A 7 2.599 0.808 8.981 1.00 51.43 N ATOM 96 CA TYR A 7 1.225 1.284 9.085 1.00 41.04 C ATOM 97 C TYR A 7 0.300 0.479 8.182 1.00 14.25 C ATOM 98 O TYR A 7 -0.790 0.092 8.595 1.00 4.13 O ATOM 99 CB TYR A 7 1.130 2.771 8.721 1.00 42.14 C ATOM 100 CG TYR A 7 -0.291 3.299 8.675 1.00 42.12 C ATOM 101 CD1 TYR A 7 -0.950 3.697 9.834 1.00 65.23 C ATOM 102 CD2 TYR A 7 -0.977 3.386 7.469 1.00 11.01 C ATOM 103 CE1 TYR A 7 -2.247 4.167 9.789 1.00 72.44 C ATOM 104 CE2 TYR A 7 -2.273 3.856 7.419 1.00 51.14 C ATOM 105 CZ TYR A 7 -2.904 4.242 8.580 1.00 32.34 C ATOM 106 OH TYR A 7 -4.195 4.711 8.535 1.00 12.40 O ATOM 0 H TYR A 7 3.250 1.486 8.584 1.00 51.43 H new ATOM 0 HA TYR A 7 0.911 1.153 10.121 1.00 41.04 H new ATOM 0 HB2 TYR A 7 1.700 3.351 9.447 1.00 42.14 H new ATOM 0 HB3 TYR A 7 1.598 2.929 7.749 1.00 42.14 H new ATOM 0 HD1 TYR A 7 -0.439 3.637 10.783 1.00 65.23 H new ATOM 0 HD2 TYR A 7 -0.487 3.081 6.556 1.00 11.01 H new ATOM 0 HE1 TYR A 7 -2.745 4.474 10.697 1.00 72.44 H new ATOM 0 HE2 TYR A 7 -2.790 3.921 6.473 1.00 51.14 H new ATOM 0 HH TYR A 7 -4.492 4.762 7.603 1.00 12.40 H new ATOM 116 N PHE A 8 0.741 0.235 6.953 1.00 4.23 N ATOM 117 CA PHE A 8 -0.069 -0.479 5.973 1.00 54.01 C ATOM 118 C PHE A 8 -0.445 -1.867 6.481 1.00 65.54 C ATOM 119 O PHE A 8 -1.614 -2.254 6.445 1.00 72.24 O ATOM 120 CB PHE A 8 0.677 -0.592 4.638 1.00 64.51 C ATOM 121 CG PHE A 8 -0.136 -1.227 3.544 1.00 54.35 C ATOM 122 CD1 PHE A 8 -1.048 -0.478 2.818 1.00 72.11 C ATOM 123 CD2 PHE A 8 0.009 -2.572 3.244 1.00 73.34 C ATOM 124 CE1 PHE A 8 -1.798 -1.058 1.814 1.00 2.41 C ATOM 125 CE2 PHE A 8 -0.739 -3.158 2.243 1.00 33.24 C ATOM 126 CZ PHE A 8 -1.644 -2.400 1.526 1.00 33.24 C ATOM 0 H PHE A 8 1.658 0.522 6.611 1.00 4.23 H new ATOM 0 HA PHE A 8 -0.985 0.090 5.818 1.00 54.01 H new ATOM 0 HB2 PHE A 8 0.985 0.404 4.319 1.00 64.51 H new ATOM 0 HB3 PHE A 8 1.586 -1.174 4.788 1.00 64.51 H new ATOM 0 HD1 PHE A 8 -1.174 0.571 3.040 1.00 72.11 H new ATOM 0 HD2 PHE A 8 0.716 -3.169 3.800 1.00 73.34 H new ATOM 0 HE1 PHE A 8 -2.504 -0.463 1.254 1.00 2.41 H new ATOM 0 HE2 PHE A 8 -0.617 -4.208 2.021 1.00 33.24 H new ATOM 0 HZ PHE A 8 -2.230 -2.856 0.742 1.00 33.24 H new ATOM 136 N TYR A 9 0.542 -2.609 6.970 1.00 22.33 N ATOM 137 CA TYR A 9 0.288 -3.951 7.465 1.00 54.43 C ATOM 138 C TYR A 9 -0.506 -3.891 8.765 1.00 22.51 C ATOM 139 O TYR A 9 -1.396 -4.711 8.998 1.00 2.41 O ATOM 140 CB TYR A 9 1.591 -4.724 7.678 1.00 24.33 C ATOM 141 CG TYR A 9 1.356 -6.181 7.996 1.00 5.21 C ATOM 142 CD1 TYR A 9 1.202 -7.110 6.977 1.00 43.14 C ATOM 143 CD2 TYR A 9 1.264 -6.623 9.308 1.00 11.21 C ATOM 144 CE1 TYR A 9 0.959 -8.438 7.255 1.00 50.32 C ATOM 145 CE2 TYR A 9 1.025 -7.949 9.596 1.00 60.23 C ATOM 146 CZ TYR A 9 0.871 -8.854 8.566 1.00 33.32 C ATOM 147 OH TYR A 9 0.629 -10.179 8.847 1.00 4.42 O ATOM 0 H TYR A 9 1.514 -2.306 7.033 1.00 22.33 H new ATOM 0 HA TYR A 9 -0.296 -4.480 6.712 1.00 54.43 H new ATOM 0 HB2 TYR A 9 2.206 -4.646 6.781 1.00 24.33 H new ATOM 0 HB3 TYR A 9 2.153 -4.264 8.491 1.00 24.33 H new ATOM 0 HD1 TYR A 9 1.274 -6.787 5.949 1.00 43.14 H new ATOM 0 HD2 TYR A 9 1.382 -5.916 10.116 1.00 11.21 H new ATOM 0 HE1 TYR A 9 0.838 -9.148 6.450 1.00 50.32 H new ATOM 0 HE2 TYR A 9 0.959 -8.278 10.622 1.00 60.23 H new ATOM 0 HH TYR A 9 0.598 -10.307 9.818 1.00 4.42 H new ATOM 157 N GLN A 10 -0.185 -2.911 9.603 1.00 35.23 N ATOM 158 CA GLN A 10 -0.890 -2.723 10.864 1.00 61.14 C ATOM 159 C GLN A 10 -2.370 -2.480 10.590 1.00 30.52 C ATOM 160 O GLN A 10 -3.241 -3.112 11.186 1.00 12.55 O ATOM 161 CB GLN A 10 -0.307 -1.531 11.629 1.00 74.22 C ATOM 162 CG GLN A 10 -0.494 -1.617 13.132 1.00 33.02 C ATOM 163 CD GLN A 10 0.386 -2.679 13.759 1.00 61.15 C ATOM 164 OE1 GLN A 10 1.561 -2.889 13.182 1.00 42.40 O flip ATOM 165 NE2 GLN A 10 0.022 -3.295 14.761 1.00 61.13 N flip ATOM 0 H GLN A 10 0.559 -2.235 9.431 1.00 35.23 H new ATOM 0 HA GLN A 10 -0.772 -3.621 11.470 1.00 61.14 H new ATOM 0 HB2 GLN A 10 0.758 -1.455 11.409 1.00 74.22 H new ATOM 0 HB3 GLN A 10 -0.773 -0.615 11.266 1.00 74.22 H new ATOM 0 HG2 GLN A 10 -0.268 -0.649 13.580 1.00 33.02 H new ATOM 0 HG3 GLN A 10 -1.538 -1.835 13.354 1.00 33.02 H new ATOM 0 HE21 GLN A 10 -0.891 -3.103 15.174 1.00 61.13 H new ATOM 0 HE22 GLN A 10 0.633 -3.997 15.178 1.00 61.13 H new ATOM 174 N TRP A 11 -2.631 -1.561 9.664 1.00 13.43 N ATOM 175 CA TRP A 11 -3.986 -1.243 9.226 1.00 43.04 C ATOM 176 C TRP A 11 -4.696 -2.490 8.709 1.00 22.30 C ATOM 177 O TRP A 11 -5.859 -2.732 9.031 1.00 63.13 O ATOM 178 CB TRP A 11 -3.931 -0.161 8.139 1.00 54.32 C ATOM 179 CG TRP A 11 -5.189 -0.036 7.331 1.00 22.22 C ATOM 180 CD1 TRP A 11 -6.341 0.591 7.695 1.00 31.41 C ATOM 181 CD2 TRP A 11 -5.408 -0.554 6.015 1.00 72.10 C ATOM 182 NE1 TRP A 11 -7.274 0.483 6.692 1.00 41.41 N ATOM 183 CE2 TRP A 11 -6.721 -0.214 5.646 1.00 33.31 C ATOM 184 CE3 TRP A 11 -4.619 -1.276 5.117 1.00 33.33 C ATOM 185 CZ2 TRP A 11 -7.262 -0.571 4.414 1.00 33.03 C ATOM 186 CZ3 TRP A 11 -5.156 -1.628 3.895 1.00 71.13 C ATOM 187 CH2 TRP A 11 -6.468 -1.277 3.552 1.00 34.44 C ATOM 0 H TRP A 11 -1.907 -1.015 9.196 1.00 13.43 H new ATOM 0 HA TRP A 11 -4.554 -0.867 10.077 1.00 43.04 H new ATOM 0 HB2 TRP A 11 -3.717 0.799 8.609 1.00 54.32 H new ATOM 0 HB3 TRP A 11 -3.101 -0.379 7.467 1.00 54.32 H new ATOM 0 HD1 TRP A 11 -6.499 1.099 8.635 1.00 31.41 H new ATOM 0 HE1 TRP A 11 -8.222 0.859 6.720 1.00 41.41 H new ATOM 0 HE3 TRP A 11 -3.607 -1.554 5.374 1.00 33.33 H new ATOM 0 HZ2 TRP A 11 -8.273 -0.300 4.148 1.00 33.03 H new ATOM 0 HZ3 TRP A 11 -4.554 -2.184 3.191 1.00 71.13 H new ATOM 0 HH2 TRP A 11 -6.860 -1.569 2.589 1.00 34.44 H new ATOM 198 N TYR A 12 -3.981 -3.280 7.916 1.00 53.05 N ATOM 199 CA TYR A 12 -4.519 -4.522 7.375 1.00 0.41 C ATOM 200 C TYR A 12 -4.904 -5.487 8.496 1.00 21.02 C ATOM 201 O TYR A 12 -6.012 -6.024 8.500 1.00 63.31 O ATOM 202 CB TYR A 12 -3.497 -5.164 6.426 1.00 4.12 C ATOM 203 CG TYR A 12 -3.771 -6.615 6.106 1.00 72.12 C ATOM 204 CD1 TYR A 12 -4.882 -6.995 5.359 1.00 54.34 C ATOM 205 CD2 TYR A 12 -2.914 -7.609 6.560 1.00 43.31 C ATOM 206 CE1 TYR A 12 -5.127 -8.323 5.080 1.00 35.43 C ATOM 207 CE2 TYR A 12 -3.152 -8.937 6.281 1.00 34.30 C ATOM 208 CZ TYR A 12 -4.259 -9.288 5.541 1.00 53.32 C ATOM 209 OH TYR A 12 -4.500 -10.609 5.271 1.00 25.52 O ATOM 0 H TYR A 12 -3.022 -3.080 7.632 1.00 53.05 H new ATOM 0 HA TYR A 12 -5.424 -4.294 6.812 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.476 -4.597 5.496 1.00 4.12 H new ATOM 0 HB3 TYR A 12 -2.505 -5.083 6.871 1.00 4.12 H new ATOM 0 HD1 TYR A 12 -5.561 -6.240 4.993 1.00 54.34 H new ATOM 0 HD2 TYR A 12 -2.046 -7.336 7.142 1.00 43.31 H new ATOM 0 HE1 TYR A 12 -5.995 -8.605 4.503 1.00 35.43 H new ATOM 0 HE2 TYR A 12 -2.475 -9.698 6.640 1.00 34.30 H new ATOM 0 HH TYR A 12 -5.280 -10.910 5.782 1.00 25.52 H new ATOM 219 N GLU A 13 -3.998 -5.679 9.450 1.00 72.32 N ATOM 220 CA GLU A 13 -4.233 -6.580 10.576 1.00 4.05 C ATOM 221 C GLU A 13 -5.485 -6.162 11.345 1.00 40.44 C ATOM 222 O GLU A 13 -6.338 -6.991 11.668 1.00 43.15 O ATOM 223 CB GLU A 13 -3.004 -6.594 11.501 1.00 32.23 C ATOM 224 CG GLU A 13 -3.080 -7.604 12.639 1.00 34.24 C ATOM 225 CD GLU A 13 -3.495 -6.987 13.962 1.00 13.43 C ATOM 226 OE1 GLU A 13 -4.705 -6.926 14.246 1.00 10.22 O ATOM 227 OE2 GLU A 13 -2.606 -6.568 14.737 1.00 24.24 O ATOM 0 H GLU A 13 -3.088 -5.219 9.466 1.00 72.32 H new ATOM 0 HA GLU A 13 -4.393 -7.588 10.194 1.00 4.05 H new ATOM 0 HB2 GLU A 13 -2.118 -6.806 10.903 1.00 32.23 H new ATOM 0 HB3 GLU A 13 -2.873 -5.598 11.924 1.00 32.23 H new ATOM 0 HG2 GLU A 13 -3.789 -8.388 12.373 1.00 34.24 H new ATOM 0 HG3 GLU A 13 -2.107 -8.081 12.758 1.00 34.24 H new ATOM 234 N VAL A 14 -5.605 -4.868 11.600 1.00 12.52 N ATOM 235 CA VAL A 14 -6.742 -4.332 12.335 1.00 5.22 C ATOM 236 C VAL A 14 -8.041 -4.453 11.532 1.00 53.21 C ATOM 237 O VAL A 14 -9.115 -4.666 12.100 1.00 72.41 O ATOM 238 CB VAL A 14 -6.512 -2.845 12.706 1.00 74.24 C ATOM 239 CG1 VAL A 14 -7.723 -2.264 13.420 1.00 22.52 C ATOM 240 CG2 VAL A 14 -5.269 -2.694 13.568 1.00 70.13 C ATOM 0 H VAL A 14 -4.925 -4.166 11.307 1.00 12.52 H new ATOM 0 HA VAL A 14 -6.836 -4.923 13.246 1.00 5.22 H new ATOM 0 HB VAL A 14 -6.365 -2.289 11.780 1.00 74.24 H new ATOM 0 HG11 VAL A 14 -7.533 -1.220 13.668 1.00 22.52 H new ATOM 0 HG12 VAL A 14 -8.595 -2.329 12.769 1.00 22.52 H new ATOM 0 HG13 VAL A 14 -7.910 -2.826 14.335 1.00 22.52 H new ATOM 0 HG21 VAL A 14 -5.125 -1.643 13.818 1.00 70.13 H new ATOM 0 HG22 VAL A 14 -5.389 -3.272 14.485 1.00 70.13 H new ATOM 0 HG23 VAL A 14 -4.400 -3.059 13.021 1.00 70.13 H new ATOM 250 N ASN A 15 -7.942 -4.361 10.212 1.00 53.30 N ATOM 251 CA ASN A 15 -9.136 -4.224 9.386 1.00 33.51 C ATOM 252 C ASN A 15 -9.463 -5.477 8.583 1.00 70.23 C ATOM 253 O ASN A 15 -10.390 -6.202 8.919 1.00 20.45 O ATOM 254 CB ASN A 15 -9.007 -3.023 8.443 1.00 43.32 C ATOM 255 CG ASN A 15 -9.326 -1.710 9.134 1.00 41.44 C ATOM 256 OD1 ASN A 15 -10.475 -1.271 9.151 1.00 34.32 O ATOM 257 ND2 ASN A 15 -8.315 -1.063 9.692 1.00 12.23 N ATOM 0 H ASN A 15 -7.062 -4.378 9.696 1.00 53.30 H new ATOM 0 HA ASN A 15 -9.963 -4.065 10.078 1.00 33.51 H new ATOM 0 HB2 ASN A 15 -7.993 -2.984 8.045 1.00 43.32 H new ATOM 0 HB3 ASN A 15 -9.678 -3.157 7.594 1.00 43.32 H new ATOM 0 HD21 ASN A 15 -8.476 -0.169 10.156 1.00 12.23 H new ATOM 0 HD22 ASN A 15 -7.375 -1.458 9.658 1.00 12.23 H new ATOM 264 N LYS A 16 -8.693 -5.741 7.536 1.00 62.24 N ATOM 265 CA LYS A 16 -9.080 -6.732 6.530 1.00 4.14 C ATOM 266 C LYS A 16 -8.712 -8.157 6.936 1.00 70.11 C ATOM 267 O LYS A 16 -9.208 -9.116 6.346 1.00 72.14 O ATOM 268 CB LYS A 16 -8.432 -6.397 5.185 1.00 10.30 C ATOM 269 CG LYS A 16 -8.643 -4.956 4.746 1.00 25.14 C ATOM 270 CD LYS A 16 -10.117 -4.588 4.723 1.00 32.11 C ATOM 271 CE LYS A 16 -10.314 -3.089 4.558 1.00 32.42 C ATOM 272 NZ LYS A 16 -11.733 -2.695 4.755 1.00 43.23 N ATOM 0 H LYS A 16 -7.798 -5.286 7.358 1.00 62.24 H new ATOM 0 HA LYS A 16 -10.166 -6.688 6.444 1.00 4.14 H new ATOM 0 HB2 LYS A 16 -7.362 -6.595 5.248 1.00 10.30 H new ATOM 0 HB3 LYS A 16 -8.835 -7.063 4.422 1.00 10.30 H new ATOM 0 HG2 LYS A 16 -8.111 -4.287 5.423 1.00 25.14 H new ATOM 0 HG3 LYS A 16 -8.216 -4.811 3.754 1.00 25.14 H new ATOM 0 HD2 LYS A 16 -10.612 -5.113 3.906 1.00 32.11 H new ATOM 0 HD3 LYS A 16 -10.590 -4.919 5.647 1.00 32.11 H new ATOM 0 HE2 LYS A 16 -9.687 -2.559 5.274 1.00 32.42 H new ATOM 0 HE3 LYS A 16 -9.987 -2.787 3.563 1.00 32.42 H new ATOM 0 HZ1 LYS A 16 -11.828 -1.666 4.635 1.00 43.23 H new ATOM 0 HZ2 LYS A 16 -12.329 -3.182 4.055 1.00 43.23 H new ATOM 0 HZ3 LYS A 16 -12.037 -2.961 5.713 1.00 43.23 H new ATOM 286 N LEU A 17 -7.859 -8.285 7.944 1.00 52.45 N ATOM 287 CA LEU A 17 -7.358 -9.591 8.379 1.00 44.45 C ATOM 288 C LEU A 17 -8.487 -10.610 8.630 1.00 31.35 C ATOM 289 O LEU A 17 -8.456 -11.703 8.066 1.00 71.11 O ATOM 290 CB LEU A 17 -6.497 -9.438 9.636 1.00 55.11 C ATOM 291 CG LEU A 17 -5.711 -10.684 10.039 1.00 3.13 C ATOM 292 CD1 LEU A 17 -4.613 -10.964 9.026 1.00 53.52 C ATOM 293 CD2 LEU A 17 -5.127 -10.522 11.434 1.00 31.32 C ATOM 0 H LEU A 17 -7.495 -7.498 8.481 1.00 52.45 H new ATOM 0 HA LEU A 17 -6.750 -9.983 7.564 1.00 44.45 H new ATOM 0 HB2 LEU A 17 -5.795 -8.619 9.479 1.00 55.11 H new ATOM 0 HB3 LEU A 17 -7.142 -9.150 10.466 1.00 55.11 H new ATOM 0 HG LEU A 17 -6.393 -11.534 10.054 1.00 3.13 H new ATOM 0 HD11 LEU A 17 -4.060 -11.855 9.325 1.00 53.52 H new ATOM 0 HD12 LEU A 17 -5.057 -11.125 8.044 1.00 53.52 H new ATOM 0 HD13 LEU A 17 -3.933 -10.113 8.982 1.00 53.52 H new ATOM 0 HD21 LEU A 17 -4.571 -11.420 11.702 1.00 31.32 H new ATOM 0 HD22 LEU A 17 -4.457 -9.662 11.450 1.00 31.32 H new ATOM 0 HD23 LEU A 17 -5.934 -10.367 12.150 1.00 31.32 H new ATOM 305 N PRO A 18 -9.506 -10.283 9.462 1.00 45.34 N ATOM 306 CA PRO A 18 -10.583 -11.230 9.791 1.00 10.30 C ATOM 307 C PRO A 18 -11.617 -11.405 8.675 1.00 11.03 C ATOM 308 O PRO A 18 -12.640 -12.062 8.873 1.00 44.22 O ATOM 309 CB PRO A 18 -11.246 -10.593 11.012 1.00 70.31 C ATOM 310 CG PRO A 18 -11.018 -9.134 10.844 1.00 11.11 C ATOM 311 CD PRO A 18 -9.683 -8.993 10.168 1.00 13.34 C ATOM 0 HA PRO A 18 -10.184 -12.231 9.953 1.00 10.30 H new ATOM 0 HB2 PRO A 18 -12.310 -10.826 11.052 1.00 70.31 H new ATOM 0 HB3 PRO A 18 -10.805 -10.959 11.939 1.00 70.31 H new ATOM 0 HG2 PRO A 18 -11.808 -8.683 10.243 1.00 11.11 H new ATOM 0 HG3 PRO A 18 -11.022 -8.626 11.808 1.00 11.11 H new ATOM 0 HD2 PRO A 18 -9.673 -8.153 9.474 1.00 13.34 H new ATOM 0 HD3 PRO A 18 -8.885 -8.820 10.890 1.00 13.34 H new ATOM 319 N HIS A 19 -11.360 -10.827 7.510 1.00 30.51 N ATOM 320 CA HIS A 19 -12.322 -10.883 6.414 1.00 54.55 C ATOM 321 C HIS A 19 -11.752 -11.630 5.218 1.00 65.12 C ATOM 322 O HIS A 19 -12.418 -12.482 4.627 1.00 42.25 O ATOM 323 CB HIS A 19 -12.727 -9.475 5.971 1.00 44.40 C ATOM 324 CG HIS A 19 -13.273 -8.617 7.066 1.00 51.25 C ATOM 325 ND1 HIS A 19 -12.674 -7.612 7.741 1.00 52.41 N flip ATOM 326 CD2 HIS A 19 -14.553 -8.773 7.537 1.00 4.33 C flip ATOM 327 CE1 HIS A 19 -13.586 -7.137 8.642 1.00 55.12 C flip ATOM 328 NE2 HIS A 19 -14.699 -7.863 8.486 1.00 20.21 N flip ATOM 0 H HIS A 19 -10.502 -10.318 7.298 1.00 30.51 H new ATOM 0 HA HIS A 19 -13.198 -11.415 6.784 1.00 54.55 H new ATOM 0 HB2 HIS A 19 -11.858 -8.980 5.537 1.00 44.40 H new ATOM 0 HB3 HIS A 19 -13.475 -9.556 5.182 1.00 44.40 H new ATOM 0 HD1 HIS A 19 -11.722 -7.272 7.604 1.00 52.41 H new ATOM 0 HD2 HIS A 19 -15.288 -9.490 7.202 1.00 4.33 H new ATOM 0 HE1 HIS A 19 -13.437 -6.331 9.345 1.00 55.12 H new ATOM 336 N VAL A 20 -10.516 -11.305 4.866 1.00 23.41 N ATOM 337 CA VAL A 20 -9.917 -11.802 3.638 1.00 52.01 C ATOM 338 C VAL A 20 -9.393 -13.229 3.788 1.00 71.55 C ATOM 339 O VAL A 20 -8.898 -13.621 4.848 1.00 31.33 O ATOM 340 CB VAL A 20 -8.779 -10.877 3.157 1.00 2.41 C ATOM 341 CG1 VAL A 20 -9.298 -9.459 2.958 1.00 54.34 C ATOM 342 CG2 VAL A 20 -7.611 -10.885 4.133 1.00 53.12 C ATOM 0 H VAL A 20 -9.908 -10.698 5.416 1.00 23.41 H new ATOM 0 HA VAL A 20 -10.709 -11.810 2.890 1.00 52.01 H new ATOM 0 HB VAL A 20 -8.418 -11.256 2.201 1.00 2.41 H new ATOM 0 HG11 VAL A 20 -8.484 -8.818 2.619 1.00 54.34 H new ATOM 0 HG12 VAL A 20 -10.092 -9.464 2.211 1.00 54.34 H new ATOM 0 HG13 VAL A 20 -9.690 -9.079 3.902 1.00 54.34 H new ATOM 0 HG21 VAL A 20 -6.826 -10.224 3.766 1.00 53.12 H new ATOM 0 HG22 VAL A 20 -7.950 -10.539 5.109 1.00 53.12 H new ATOM 0 HG23 VAL A 20 -7.219 -11.898 4.224 1.00 53.12 H new ATOM 352 N SER A 21 -9.527 -14.003 2.720 1.00 0.11 N ATOM 353 CA SER A 21 -8.996 -15.355 2.671 1.00 22.15 C ATOM 354 C SER A 21 -7.499 -15.315 2.358 1.00 21.22 C ATOM 355 O SER A 21 -6.959 -14.247 2.055 1.00 4.31 O ATOM 356 CB SER A 21 -9.732 -16.156 1.598 1.00 3.44 C ATOM 357 OG SER A 21 -11.138 -16.008 1.722 1.00 22.22 O ATOM 0 H SER A 21 -10.005 -13.712 1.867 1.00 0.11 H new ATOM 0 HA SER A 21 -9.142 -15.834 3.639 1.00 22.15 H new ATOM 0 HB2 SER A 21 -9.414 -15.823 0.610 1.00 3.44 H new ATOM 0 HB3 SER A 21 -9.466 -17.210 1.680 1.00 3.44 H new ATOM 0 HG SER A 21 -11.585 -16.529 1.023 1.00 22.22 H new ATOM 363 N GLU A 22 -6.837 -16.472 2.405 1.00 61.12 N ATOM 364 CA GLU A 22 -5.399 -16.546 2.132 1.00 62.42 C ATOM 365 C GLU A 22 -5.080 -16.025 0.731 1.00 3.21 C ATOM 366 O GLU A 22 -3.995 -15.499 0.485 1.00 1.14 O ATOM 367 CB GLU A 22 -4.874 -17.979 2.295 1.00 30.04 C ATOM 368 CG GLU A 22 -5.543 -18.996 1.386 1.00 2.55 C ATOM 369 CD GLU A 22 -4.902 -20.365 1.480 1.00 32.44 C ATOM 370 OE1 GLU A 22 -5.229 -21.118 2.418 1.00 30.04 O ATOM 371 OE2 GLU A 22 -4.074 -20.700 0.608 1.00 45.25 O ATOM 0 H GLU A 22 -7.270 -17.368 2.628 1.00 61.12 H new ATOM 0 HA GLU A 22 -4.896 -15.912 2.862 1.00 62.42 H new ATOM 0 HB2 GLU A 22 -3.802 -17.985 2.101 1.00 30.04 H new ATOM 0 HB3 GLU A 22 -5.012 -18.289 3.331 1.00 30.04 H new ATOM 0 HG2 GLU A 22 -6.598 -19.073 1.647 1.00 2.55 H new ATOM 0 HG3 GLU A 22 -5.494 -18.645 0.355 1.00 2.55 H new ATOM 378 N SER A 23 -6.037 -16.164 -0.176 1.00 3.04 N ATOM 379 CA SER A 23 -5.887 -15.664 -1.534 1.00 15.53 C ATOM 380 C SER A 23 -5.733 -14.142 -1.539 1.00 21.21 C ATOM 381 O SER A 23 -4.836 -13.607 -2.190 1.00 13.14 O ATOM 382 CB SER A 23 -7.089 -16.092 -2.372 1.00 22.54 C ATOM 383 OG SER A 23 -7.237 -17.502 -2.329 1.00 5.25 O ATOM 0 H SER A 23 -6.930 -16.622 0.006 1.00 3.04 H new ATOM 0 HA SER A 23 -4.983 -16.089 -1.970 1.00 15.53 H new ATOM 0 HB2 SER A 23 -7.993 -15.612 -1.997 1.00 22.54 H new ATOM 0 HB3 SER A 23 -6.958 -15.764 -3.403 1.00 22.54 H new ATOM 0 HG SER A 23 -8.012 -17.766 -2.868 1.00 5.25 H new ATOM 389 N THR A 24 -6.590 -13.452 -0.791 1.00 10.15 N ATOM 390 CA THR A 24 -6.513 -12.002 -0.695 1.00 44.43 C ATOM 391 C THR A 24 -5.342 -11.589 0.195 1.00 51.22 C ATOM 392 O THR A 24 -4.749 -10.525 0.004 1.00 44.54 O ATOM 393 CB THR A 24 -7.828 -11.402 -0.159 1.00 72.55 C ATOM 394 OG1 THR A 24 -8.921 -11.838 -0.980 1.00 31.24 O ATOM 395 CG2 THR A 24 -7.771 -9.877 -0.146 1.00 73.52 C ATOM 0 H THR A 24 -7.342 -13.874 -0.246 1.00 10.15 H new ATOM 0 HA THR A 24 -6.351 -11.611 -1.699 1.00 44.43 H new ATOM 0 HB THR A 24 -7.973 -11.746 0.865 1.00 72.55 H new ATOM 0 HG1 THR A 24 -9.758 -11.459 -0.639 1.00 31.24 H new ATOM 0 HG21 THR A 24 -8.712 -9.481 0.237 1.00 73.52 H new ATOM 0 HG22 THR A 24 -6.952 -9.549 0.494 1.00 73.52 H new ATOM 0 HG23 THR A 24 -7.609 -9.510 -1.160 1.00 73.52 H new ATOM 403 N LYS A 25 -4.997 -12.443 1.157 1.00 23.21 N ATOM 404 CA LYS A 25 -3.814 -12.213 1.977 1.00 32.02 C ATOM 405 C LYS A 25 -2.590 -12.084 1.088 1.00 11.13 C ATOM 406 O LYS A 25 -1.788 -11.178 1.261 1.00 62.44 O ATOM 407 CB LYS A 25 -3.583 -13.343 2.984 1.00 10.21 C ATOM 408 CG LYS A 25 -4.626 -13.433 4.082 1.00 22.44 C ATOM 409 CD LYS A 25 -4.129 -14.246 5.277 1.00 11.33 C ATOM 410 CE LYS A 25 -3.037 -13.515 6.059 1.00 72.51 C ATOM 411 NZ LYS A 25 -1.702 -13.590 5.400 1.00 64.40 N ATOM 0 H LYS A 25 -5.515 -13.292 1.385 1.00 23.21 H new ATOM 0 HA LYS A 25 -3.979 -11.291 2.535 1.00 32.02 H new ATOM 0 HB2 LYS A 25 -3.557 -14.291 2.447 1.00 10.21 H new ATOM 0 HB3 LYS A 25 -2.603 -13.209 3.442 1.00 10.21 H new ATOM 0 HG2 LYS A 25 -4.893 -12.429 4.412 1.00 22.44 H new ATOM 0 HG3 LYS A 25 -5.533 -13.889 3.685 1.00 22.44 H new ATOM 0 HD2 LYS A 25 -4.966 -14.462 5.941 1.00 11.33 H new ATOM 0 HD3 LYS A 25 -3.744 -15.204 4.928 1.00 11.33 H new ATOM 0 HE2 LYS A 25 -3.320 -12.469 6.177 1.00 72.51 H new ATOM 0 HE3 LYS A 25 -2.967 -13.941 7.060 1.00 72.51 H new ATOM 0 HZ1 LYS A 25 -1.006 -13.978 6.068 1.00 64.40 H new ATOM 0 HZ2 LYS A 25 -1.761 -14.207 4.565 1.00 64.40 H new ATOM 0 HZ3 LYS A 25 -1.406 -12.637 5.106 1.00 64.40 H new ATOM 425 N ARG A 26 -2.471 -12.990 0.119 1.00 51.42 N ATOM 426 CA ARG A 26 -1.345 -12.989 -0.813 1.00 21.45 C ATOM 427 C ARG A 26 -1.207 -11.651 -1.534 1.00 74.10 C ATOM 428 O ARG A 26 -0.095 -11.224 -1.848 1.00 61.35 O ATOM 429 CB ARG A 26 -1.493 -14.125 -1.825 1.00 22.43 C ATOM 430 CG ARG A 26 -1.271 -15.493 -1.208 1.00 71.43 C ATOM 431 CD ARG A 26 -1.583 -16.615 -2.180 1.00 50.01 C ATOM 432 NE ARG A 26 -1.244 -17.916 -1.610 1.00 42.31 N ATOM 433 CZ ARG A 26 -2.130 -18.758 -1.086 1.00 72.43 C ATOM 434 NH1 ARG A 26 -3.426 -18.489 -1.132 1.00 53.23 N ATOM 435 NH2 ARG A 26 -1.717 -19.887 -0.534 1.00 41.32 N ATOM 0 H ARG A 26 -3.145 -13.738 -0.041 1.00 51.42 H new ATOM 0 HA ARG A 26 -0.436 -13.144 -0.232 1.00 21.45 H new ATOM 0 HB2 ARG A 26 -2.490 -14.087 -2.264 1.00 22.43 H new ATOM 0 HB3 ARG A 26 -0.781 -13.978 -2.637 1.00 22.43 H new ATOM 0 HG2 ARG A 26 -0.236 -15.578 -0.878 1.00 71.43 H new ATOM 0 HG3 ARG A 26 -1.898 -15.597 -0.322 1.00 71.43 H new ATOM 0 HD2 ARG A 26 -2.642 -16.593 -2.438 1.00 50.01 H new ATOM 0 HD3 ARG A 26 -1.026 -16.464 -3.105 1.00 50.01 H new ATOM 0 HE ARG A 26 -0.264 -18.197 -1.614 1.00 42.31 H new ATOM 0 HH11 ARG A 26 -3.753 -17.629 -1.572 1.00 53.23 H new ATOM 0 HH12 ARG A 26 -4.097 -19.142 -0.727 1.00 53.23 H new ATOM 0 HH21 ARG A 26 -0.722 -20.109 -0.511 1.00 41.32 H new ATOM 0 HH22 ARG A 26 -2.394 -20.535 -0.131 1.00 41.32 H new ATOM 449 N HIS A 27 -2.334 -10.994 -1.788 1.00 31.34 N ATOM 450 CA HIS A 27 -2.322 -9.657 -2.373 1.00 31.31 C ATOM 451 C HIS A 27 -1.659 -8.668 -1.420 1.00 41.33 C ATOM 452 O HIS A 27 -0.704 -7.979 -1.784 1.00 33.41 O ATOM 453 CB HIS A 27 -3.744 -9.187 -2.693 1.00 60.42 C ATOM 454 CG HIS A 27 -4.343 -9.821 -3.909 1.00 61.11 C ATOM 455 ND1 HIS A 27 -4.775 -11.091 -4.106 1.00 31.53 N flip ATOM 456 CD2 HIS A 27 -4.554 -9.094 -5.052 1.00 64.14 C flip ATOM 457 CE1 HIS A 27 -5.265 -11.150 -5.388 1.00 72.30 C flip ATOM 458 NE2 HIS A 27 -5.107 -9.924 -5.916 1.00 54.42 N flip ATOM 0 H HIS A 27 -3.265 -11.364 -1.599 1.00 31.34 H new ATOM 0 HA HIS A 27 -1.752 -9.702 -3.301 1.00 31.31 H new ATOM 0 HB2 HIS A 27 -4.385 -9.395 -1.836 1.00 60.42 H new ATOM 0 HB3 HIS A 27 -3.735 -8.106 -2.829 1.00 60.42 H new ATOM 0 HD1 HIS A 27 -4.742 -11.856 -3.432 1.00 31.53 H new ATOM 0 HD2 HIS A 27 -4.316 -8.053 -5.213 1.00 64.14 H new ATOM 0 HE1 HIS A 27 -5.693 -12.013 -5.876 1.00 72.30 H new ATOM 466 N TYR A 28 -2.158 -8.624 -0.190 1.00 23.35 N ATOM 467 CA TYR A 28 -1.647 -7.702 0.817 1.00 54.40 C ATOM 468 C TYR A 28 -0.202 -8.021 1.192 1.00 1.31 C ATOM 469 O TYR A 28 0.626 -7.117 1.282 1.00 53.04 O ATOM 470 CB TYR A 28 -2.524 -7.732 2.068 1.00 50.23 C ATOM 471 CG TYR A 28 -3.798 -6.929 1.946 1.00 31.41 C ATOM 472 CD1 TYR A 28 -3.819 -5.582 2.287 1.00 33.53 C ATOM 473 CD2 TYR A 28 -4.979 -7.512 1.503 1.00 63.21 C ATOM 474 CE1 TYR A 28 -4.978 -4.839 2.189 1.00 32.35 C ATOM 475 CE2 TYR A 28 -6.144 -6.774 1.405 1.00 14.23 C ATOM 476 CZ TYR A 28 -6.135 -5.438 1.748 1.00 63.20 C ATOM 477 OH TYR A 28 -7.291 -4.698 1.655 1.00 20.41 O ATOM 0 H TYR A 28 -2.920 -9.219 0.135 1.00 23.35 H new ATOM 0 HA TYR A 28 -1.673 -6.702 0.383 1.00 54.40 H new ATOM 0 HB2 TYR A 28 -2.780 -8.767 2.295 1.00 50.23 H new ATOM 0 HB3 TYR A 28 -1.948 -7.353 2.912 1.00 50.23 H new ATOM 0 HD1 TYR A 28 -2.913 -5.108 2.635 1.00 33.53 H new ATOM 0 HD2 TYR A 28 -4.987 -8.557 1.231 1.00 63.21 H new ATOM 0 HE1 TYR A 28 -4.976 -3.793 2.457 1.00 32.35 H new ATOM 0 HE2 TYR A 28 -7.056 -7.241 1.062 1.00 14.23 H new ATOM 0 HH TYR A 28 -7.307 -4.222 0.799 1.00 20.41 H new ATOM 487 N GLU A 29 0.093 -9.301 1.405 1.00 20.51 N ATOM 488 CA GLU A 29 1.439 -9.731 1.784 1.00 11.24 C ATOM 489 C GLU A 29 2.464 -9.272 0.746 1.00 34.43 C ATOM 490 O GLU A 29 3.449 -8.619 1.085 1.00 72.53 O ATOM 491 CB GLU A 29 1.508 -11.255 1.925 1.00 1.03 C ATOM 492 CG GLU A 29 0.561 -11.836 2.964 1.00 64.30 C ATOM 493 CD GLU A 29 0.916 -11.471 4.393 1.00 4.11 C ATOM 494 OE1 GLU A 29 2.117 -11.266 4.685 1.00 71.24 O ATOM 495 OE2 GLU A 29 -0.002 -11.437 5.239 1.00 61.41 O ATOM 0 H GLU A 29 -0.582 -10.061 1.322 1.00 20.51 H new ATOM 0 HA GLU A 29 1.672 -9.275 2.746 1.00 11.24 H new ATOM 0 HB2 GLU A 29 1.288 -11.707 0.958 1.00 1.03 H new ATOM 0 HB3 GLU A 29 2.528 -11.537 2.184 1.00 1.03 H new ATOM 0 HG2 GLU A 29 -0.451 -11.491 2.752 1.00 64.30 H new ATOM 0 HG3 GLU A 29 0.554 -12.922 2.868 1.00 64.30 H new ATOM 502 N SER A 30 2.208 -9.599 -0.521 1.00 40.52 N ATOM 503 CA SER A 30 3.114 -9.239 -1.608 1.00 60.14 C ATOM 504 C SER A 30 3.253 -7.724 -1.711 1.00 2.23 C ATOM 505 O SER A 30 4.349 -7.202 -1.918 1.00 21.23 O ATOM 506 CB SER A 30 2.607 -9.812 -2.934 1.00 54.25 C ATOM 507 OG SER A 30 2.405 -11.215 -2.835 1.00 12.10 O ATOM 0 H SER A 30 1.379 -10.113 -0.818 1.00 40.52 H new ATOM 0 HA SER A 30 4.094 -9.664 -1.392 1.00 60.14 H new ATOM 0 HB2 SER A 30 1.673 -9.325 -3.212 1.00 54.25 H new ATOM 0 HB3 SER A 30 3.325 -9.599 -3.725 1.00 54.25 H new ATOM 0 HG SER A 30 1.467 -11.396 -2.616 1.00 12.10 H new ATOM 513 N ALA A 31 2.135 -7.028 -1.545 1.00 52.43 N ATOM 514 CA ALA A 31 2.127 -5.575 -1.586 1.00 2.31 C ATOM 515 C ALA A 31 2.982 -5.002 -0.463 1.00 23.40 C ATOM 516 O ALA A 31 3.802 -4.116 -0.690 1.00 31.03 O ATOM 517 CB ALA A 31 0.703 -5.056 -1.487 1.00 10.42 C ATOM 0 H ALA A 31 1.221 -7.450 -1.380 1.00 52.43 H new ATOM 0 HA ALA A 31 2.551 -5.253 -2.537 1.00 2.31 H new ATOM 0 HB1 ALA A 31 0.710 -3.966 -1.519 1.00 10.42 H new ATOM 0 HB2 ALA A 31 0.117 -5.440 -2.322 1.00 10.42 H new ATOM 0 HB3 ALA A 31 0.259 -5.389 -0.549 1.00 10.42 H new ATOM 523 N TYR A 32 2.795 -5.537 0.740 1.00 23.42 N ATOM 524 CA TYR A 32 3.539 -5.096 1.914 1.00 74.42 C ATOM 525 C TYR A 32 5.042 -5.247 1.704 1.00 31.11 C ATOM 526 O TYR A 32 5.819 -4.379 2.099 1.00 31.54 O ATOM 527 CB TYR A 32 3.091 -5.889 3.149 1.00 30.44 C ATOM 528 CG TYR A 32 3.878 -5.573 4.401 1.00 71.45 C ATOM 529 CD1 TYR A 32 3.970 -4.272 4.878 1.00 11.43 C ATOM 530 CD2 TYR A 32 4.525 -6.579 5.108 1.00 13.11 C ATOM 531 CE1 TYR A 32 4.689 -3.984 6.021 1.00 53.14 C ATOM 532 CE2 TYR A 32 5.244 -6.296 6.253 1.00 53.22 C ATOM 533 CZ TYR A 32 5.323 -4.997 6.705 1.00 40.15 C ATOM 534 OH TYR A 32 6.037 -4.707 7.847 1.00 52.12 O ATOM 0 H TYR A 32 2.127 -6.285 0.927 1.00 23.42 H new ATOM 0 HA TYR A 32 3.328 -4.039 2.073 1.00 74.42 H new ATOM 0 HB2 TYR A 32 2.036 -5.687 3.335 1.00 30.44 H new ATOM 0 HB3 TYR A 32 3.179 -6.954 2.936 1.00 30.44 H new ATOM 0 HD1 TYR A 32 3.472 -3.474 4.347 1.00 11.43 H new ATOM 0 HD2 TYR A 32 4.465 -7.599 4.757 1.00 13.11 H new ATOM 0 HE1 TYR A 32 4.754 -2.967 6.378 1.00 53.14 H new ATOM 0 HE2 TYR A 32 5.742 -7.089 6.791 1.00 53.22 H new ATOM 0 HH TYR A 32 6.422 -5.532 8.210 1.00 52.12 H new ATOM 544 N LYS A 33 5.447 -6.341 1.068 1.00 21.10 N ATOM 545 CA LYS A 33 6.864 -6.593 0.815 1.00 2.23 C ATOM 546 C LYS A 33 7.432 -5.557 -0.131 1.00 72.53 C ATOM 547 O LYS A 33 8.557 -5.095 0.051 1.00 73.32 O ATOM 548 CB LYS A 33 7.083 -7.993 0.247 1.00 31.13 C ATOM 549 CG LYS A 33 6.434 -9.061 1.090 1.00 34.34 C ATOM 550 CD LYS A 33 6.890 -10.463 0.715 1.00 14.22 C ATOM 551 CE LYS A 33 8.361 -10.676 1.040 1.00 51.24 C ATOM 552 NZ LYS A 33 8.783 -12.081 0.810 1.00 52.44 N ATOM 0 H LYS A 33 4.819 -7.065 0.719 1.00 21.10 H new ATOM 0 HA LYS A 33 7.386 -6.523 1.769 1.00 2.23 H new ATOM 0 HB2 LYS A 33 6.682 -8.039 -0.765 1.00 31.13 H new ATOM 0 HB3 LYS A 33 8.153 -8.190 0.175 1.00 31.13 H new ATOM 0 HG2 LYS A 33 6.662 -8.878 2.140 1.00 34.34 H new ATOM 0 HG3 LYS A 33 5.351 -8.995 0.983 1.00 34.34 H new ATOM 0 HD2 LYS A 33 6.288 -11.198 1.250 1.00 14.22 H new ATOM 0 HD3 LYS A 33 6.724 -10.628 -0.349 1.00 14.22 H new ATOM 0 HE2 LYS A 33 8.968 -10.010 0.427 1.00 51.24 H new ATOM 0 HE3 LYS A 33 8.545 -10.408 2.080 1.00 51.24 H new ATOM 0 HZ1 LYS A 33 9.791 -12.183 1.043 1.00 52.44 H new ATOM 0 HZ2 LYS A 33 8.222 -12.715 1.414 1.00 52.44 H new ATOM 0 HZ3 LYS A 33 8.632 -12.330 -0.188 1.00 52.44 H new ATOM 566 N HIS A 34 6.651 -5.178 -1.128 1.00 54.23 N ATOM 567 CA HIS A 34 7.091 -4.160 -2.059 1.00 61.51 C ATOM 568 C HIS A 34 7.084 -2.790 -1.392 1.00 53.44 C ATOM 569 O HIS A 34 7.951 -1.952 -1.653 1.00 22.43 O ATOM 570 CB HIS A 34 6.224 -4.131 -3.321 1.00 31.03 C ATOM 571 CG HIS A 34 6.554 -5.198 -4.322 1.00 5.15 C ATOM 572 ND1 HIS A 34 7.613 -5.124 -5.205 1.00 4.42 N ATOM 573 CD2 HIS A 34 5.919 -6.364 -4.598 1.00 72.21 C ATOM 574 CE1 HIS A 34 7.584 -6.219 -5.973 1.00 12.54 C ATOM 575 NE2 HIS A 34 6.574 -7.005 -5.645 1.00 42.44 N ATOM 0 H HIS A 34 5.721 -5.556 -1.310 1.00 54.23 H new ATOM 0 HA HIS A 34 8.109 -4.410 -2.358 1.00 61.51 H new ATOM 0 HB2 HIS A 34 5.178 -4.232 -3.031 1.00 31.03 H new ATOM 0 HB3 HIS A 34 6.330 -3.157 -3.798 1.00 31.03 H new ATOM 0 HD2 HIS A 34 5.044 -6.736 -4.086 1.00 72.21 H new ATOM 0 HE1 HIS A 34 8.294 -6.433 -6.759 1.00 12.54 H new ATOM 0 HE2 HIS A 34 6.326 -7.898 -6.071 1.00 42.44 H new ATOM 583 N ILE A 35 6.100 -2.569 -0.529 1.00 61.32 N ATOM 584 CA ILE A 35 5.995 -1.319 0.209 1.00 51.14 C ATOM 585 C ILE A 35 7.175 -1.151 1.158 1.00 3.22 C ATOM 586 O ILE A 35 7.842 -0.127 1.134 1.00 54.02 O ATOM 587 CB ILE A 35 4.670 -1.226 0.997 1.00 33.24 C ATOM 588 CG1 ILE A 35 3.489 -1.159 0.027 1.00 10.02 C ATOM 589 CG2 ILE A 35 4.673 -0.011 1.916 1.00 4.32 C ATOM 590 CD1 ILE A 35 2.139 -1.104 0.710 1.00 41.34 C ATOM 0 H ILE A 35 5.362 -3.242 -0.323 1.00 61.32 H new ATOM 0 HA ILE A 35 6.008 -0.513 -0.524 1.00 51.14 H new ATOM 0 HB ILE A 35 4.570 -2.118 1.615 1.00 33.24 H new ATOM 0 HG12 ILE A 35 3.601 -0.279 -0.607 1.00 10.02 H new ATOM 0 HG13 ILE A 35 3.519 -2.030 -0.628 1.00 10.02 H new ATOM 0 HG21 ILE A 35 3.730 0.035 2.461 1.00 4.32 H new ATOM 0 HG22 ILE A 35 5.498 -0.092 2.624 1.00 4.32 H new ATOM 0 HG23 ILE A 35 4.793 0.895 1.321 1.00 4.32 H new ATOM 0 HD11 ILE A 35 1.352 -1.058 -0.043 1.00 41.34 H new ATOM 0 HD12 ILE A 35 2.004 -1.996 1.322 1.00 41.34 H new ATOM 0 HD13 ILE A 35 2.087 -0.218 1.343 1.00 41.34 H new ATOM 602 N LYS A 36 7.445 -2.173 1.968 1.00 52.43 N ATOM 603 CA LYS A 36 8.557 -2.129 2.918 1.00 4.44 C ATOM 604 C LYS A 36 9.891 -2.045 2.180 1.00 62.31 C ATOM 605 O LYS A 36 10.894 -1.585 2.724 1.00 61.43 O ATOM 606 CB LYS A 36 8.533 -3.346 3.857 1.00 14.11 C ATOM 607 CG LYS A 36 8.850 -4.672 3.184 1.00 1.31 C ATOM 608 CD LYS A 36 8.727 -5.828 4.162 1.00 3.13 C ATOM 609 CE LYS A 36 9.161 -7.146 3.538 1.00 43.22 C ATOM 610 NZ LYS A 36 10.604 -7.151 3.189 1.00 20.32 N ATOM 0 H LYS A 36 6.910 -3.041 1.986 1.00 52.43 H new ATOM 0 HA LYS A 36 8.442 -1.233 3.528 1.00 4.44 H new ATOM 0 HB2 LYS A 36 9.250 -3.182 4.662 1.00 14.11 H new ATOM 0 HB3 LYS A 36 7.547 -3.414 4.317 1.00 14.11 H new ATOM 0 HG2 LYS A 36 8.172 -4.828 2.345 1.00 1.31 H new ATOM 0 HG3 LYS A 36 9.860 -4.643 2.776 1.00 1.31 H new ATOM 0 HD2 LYS A 36 9.336 -5.625 5.043 1.00 3.13 H new ATOM 0 HD3 LYS A 36 7.694 -5.909 4.501 1.00 3.13 H new ATOM 0 HE2 LYS A 36 8.954 -7.961 4.232 1.00 43.22 H new ATOM 0 HE3 LYS A 36 8.571 -7.333 2.641 1.00 43.22 H new ATOM 0 HZ1 LYS A 36 10.910 -8.125 2.992 1.00 20.32 H new ATOM 0 HZ2 LYS A 36 10.759 -6.562 2.346 1.00 20.32 H new ATOM 0 HZ3 LYS A 36 11.155 -6.769 3.984 1.00 20.32 H new ATOM 624 N ASP A 37 9.893 -2.533 0.946 1.00 73.54 N ATOM 625 CA ASP A 37 11.064 -2.480 0.079 1.00 21.33 C ATOM 626 C ASP A 37 11.425 -1.037 -0.285 1.00 23.41 C ATOM 627 O ASP A 37 12.586 -0.631 -0.192 1.00 34.31 O ATOM 628 CB ASP A 37 10.789 -3.293 -1.190 1.00 54.23 C ATOM 629 CG ASP A 37 11.891 -3.187 -2.216 1.00 1.12 C ATOM 630 OD1 ASP A 37 12.960 -3.793 -2.011 1.00 12.23 O ATOM 631 OD2 ASP A 37 11.689 -2.500 -3.238 1.00 44.24 O ATOM 0 H ASP A 37 9.081 -2.978 0.517 1.00 73.54 H new ATOM 0 HA ASP A 37 11.912 -2.906 0.614 1.00 21.33 H new ATOM 0 HB2 ASP A 37 10.653 -4.340 -0.920 1.00 54.23 H new ATOM 0 HB3 ASP A 37 9.854 -2.954 -1.635 1.00 54.23 H new ATOM 636 N HIS A 38 10.425 -0.268 -0.705 1.00 44.32 N ATOM 637 CA HIS A 38 10.638 1.122 -1.108 1.00 3.44 C ATOM 638 C HIS A 38 10.534 2.070 0.083 1.00 60.42 C ATOM 639 O HIS A 38 11.341 2.986 0.236 1.00 45.11 O ATOM 640 CB HIS A 38 9.643 1.534 -2.196 1.00 52.04 C ATOM 641 CG HIS A 38 9.891 0.861 -3.511 1.00 61.33 C ATOM 642 ND1 HIS A 38 10.595 1.451 -4.537 1.00 35.21 N ATOM 643 CD2 HIS A 38 9.530 -0.362 -3.960 1.00 41.53 C ATOM 644 CE1 HIS A 38 10.658 0.617 -5.558 1.00 11.10 C ATOM 645 NE2 HIS A 38 10.023 -0.494 -5.234 1.00 2.14 N ATOM 0 H HIS A 38 9.457 -0.583 -0.776 1.00 44.32 H new ATOM 0 HA HIS A 38 11.648 1.192 -1.512 1.00 3.44 H new ATOM 0 HB2 HIS A 38 8.632 1.301 -1.861 1.00 52.04 H new ATOM 0 HB3 HIS A 38 9.692 2.614 -2.333 1.00 52.04 H new ATOM 0 HD1 HIS A 38 11.003 2.385 -4.512 1.00 35.21 H new ATOM 0 HD2 HIS A 38 8.959 -1.100 -3.416 1.00 41.53 H new ATOM 0 HE1 HIS A 38 11.147 0.811 -6.501 1.00 11.10 H new ATOM 654 N PHE A 39 9.536 1.839 0.918 1.00 54.33 N ATOM 655 CA PHE A 39 9.286 2.672 2.081 1.00 63.31 C ATOM 656 C PHE A 39 9.608 1.888 3.343 1.00 71.45 C ATOM 657 O PHE A 39 8.798 1.098 3.817 1.00 43.24 O ATOM 658 CB PHE A 39 7.823 3.127 2.104 1.00 54.12 C ATOM 659 CG PHE A 39 7.375 3.784 0.828 1.00 51.22 C ATOM 660 CD1 PHE A 39 7.800 5.061 0.510 1.00 52.12 C ATOM 661 CD2 PHE A 39 6.525 3.128 -0.048 1.00 31.23 C ATOM 662 CE1 PHE A 39 7.390 5.675 -0.657 1.00 44.03 C ATOM 663 CE2 PHE A 39 6.112 3.734 -1.219 1.00 23.43 C ATOM 664 CZ PHE A 39 6.545 5.011 -1.524 1.00 54.22 C ATOM 0 H PHE A 39 8.876 1.069 0.809 1.00 54.33 H new ATOM 0 HA PHE A 39 9.922 3.556 2.032 1.00 63.31 H new ATOM 0 HB2 PHE A 39 7.186 2.264 2.301 1.00 54.12 H new ATOM 0 HB3 PHE A 39 7.681 3.824 2.930 1.00 54.12 H new ATOM 0 HD1 PHE A 39 8.462 5.585 1.184 1.00 52.12 H new ATOM 0 HD2 PHE A 39 6.181 2.132 0.187 1.00 31.23 H new ATOM 0 HE1 PHE A 39 7.730 6.673 -0.891 1.00 44.03 H new ATOM 0 HE2 PHE A 39 5.452 3.211 -1.895 1.00 23.43 H new ATOM 0 HZ PHE A 39 6.223 5.488 -2.438 1.00 54.22 H new ATOM 674 N ARG A 40 10.802 2.090 3.867 1.00 55.11 N ATOM 675 CA ARG A 40 11.269 1.319 5.010 1.00 11.12 C ATOM 676 C ARG A 40 11.057 2.097 6.300 1.00 4.14 C ATOM 677 O ARG A 40 10.302 1.686 7.177 1.00 54.11 O ATOM 678 CB ARG A 40 12.749 0.986 4.837 1.00 45.30 C ATOM 679 CG ARG A 40 13.095 0.510 3.437 1.00 53.21 C ATOM 680 CD ARG A 40 14.558 0.135 3.320 1.00 52.14 C ATOM 681 NE ARG A 40 15.445 1.229 3.712 1.00 22.20 N ATOM 682 CZ ARG A 40 16.744 1.071 3.958 1.00 20.33 C ATOM 683 NH1 ARG A 40 17.289 -0.137 3.882 1.00 32.00 N ATOM 684 NH2 ARG A 40 17.490 2.111 4.308 1.00 33.52 N ATOM 0 H ARG A 40 11.468 2.781 3.522 1.00 55.11 H new ATOM 0 HA ARG A 40 10.696 0.393 5.067 1.00 11.12 H new ATOM 0 HB2 ARG A 40 13.343 1.869 5.071 1.00 45.30 H new ATOM 0 HB3 ARG A 40 13.028 0.215 5.555 1.00 45.30 H new ATOM 0 HG2 ARG A 40 12.477 -0.351 3.182 1.00 53.21 H new ATOM 0 HG3 ARG A 40 12.861 1.295 2.717 1.00 53.21 H new ATOM 0 HD2 ARG A 40 14.759 -0.735 3.946 1.00 52.14 H new ATOM 0 HD3 ARG A 40 14.775 -0.155 2.292 1.00 52.14 H new ATOM 0 HE ARG A 40 15.047 2.164 3.802 1.00 22.20 H new ATOM 0 HH11 ARG A 40 16.713 -0.942 3.636 1.00 32.00 H new ATOM 0 HH12 ARG A 40 18.284 -0.260 4.070 1.00 32.00 H new ATOM 0 HH21 ARG A 40 17.069 3.036 4.390 1.00 33.52 H new ATOM 0 HH22 ARG A 40 18.485 1.985 4.495 1.00 33.52 H new ATOM 698 N HIS A 41 11.729 3.232 6.403 1.00 74.32 N ATOM 699 CA HIS A 41 11.605 4.098 7.564 1.00 62.35 C ATOM 700 C HIS A 41 10.942 5.403 7.153 1.00 31.02 C ATOM 701 O HIS A 41 11.056 6.425 7.825 1.00 63.24 O ATOM 702 CB HIS A 41 12.978 4.358 8.196 1.00 44.41 C ATOM 703 CG HIS A 41 13.497 3.208 9.009 1.00 44.32 C ATOM 704 ND1 HIS A 41 14.056 3.366 10.255 1.00 44.02 N ATOM 705 CD2 HIS A 41 13.548 1.878 8.745 1.00 4.54 C ATOM 706 CE1 HIS A 41 14.426 2.189 10.723 1.00 74.44 C ATOM 707 NE2 HIS A 41 14.129 1.268 9.827 1.00 72.33 N ATOM 0 H HIS A 41 12.371 3.577 5.690 1.00 74.32 H new ATOM 0 HA HIS A 41 10.984 3.605 8.313 1.00 62.35 H new ATOM 0 HB2 HIS A 41 13.694 4.585 7.406 1.00 44.41 H new ATOM 0 HB3 HIS A 41 12.914 5.241 8.832 1.00 44.41 H new ATOM 0 HD2 HIS A 41 13.196 1.390 7.848 1.00 4.54 H new ATOM 0 HE1 HIS A 41 14.894 2.010 11.680 1.00 74.44 H new ATOM 0 HE2 HIS A 41 14.303 0.267 9.923 1.00 72.33 H new ATOM 716 N LYS A 42 10.233 5.340 6.037 1.00 44.11 N ATOM 717 CA LYS A 42 9.516 6.485 5.509 1.00 2.22 C ATOM 718 C LYS A 42 8.127 6.550 6.135 1.00 4.21 C ATOM 719 O LYS A 42 7.335 5.615 6.009 1.00 41.42 O ATOM 720 CB LYS A 42 9.444 6.386 3.981 1.00 61.32 C ATOM 721 CG LYS A 42 8.833 7.602 3.301 1.00 61.14 C ATOM 722 CD LYS A 42 9.256 7.695 1.843 1.00 5.14 C ATOM 723 CE LYS A 42 10.762 7.854 1.705 1.00 41.10 C ATOM 724 NZ LYS A 42 11.224 9.218 2.072 1.00 43.43 N ATOM 0 H LYS A 42 10.140 4.494 5.474 1.00 44.11 H new ATOM 0 HA LYS A 42 10.042 7.406 5.761 1.00 2.22 H new ATOM 0 HB2 LYS A 42 10.450 6.234 3.591 1.00 61.32 H new ATOM 0 HB3 LYS A 42 8.862 5.504 3.713 1.00 61.32 H new ATOM 0 HG2 LYS A 42 7.746 7.547 3.363 1.00 61.14 H new ATOM 0 HG3 LYS A 42 9.137 8.506 3.828 1.00 61.14 H new ATOM 0 HD2 LYS A 42 8.934 6.799 1.313 1.00 5.14 H new ATOM 0 HD3 LYS A 42 8.756 8.541 1.372 1.00 5.14 H new ATOM 0 HE2 LYS A 42 11.261 7.121 2.339 1.00 41.10 H new ATOM 0 HE3 LYS A 42 11.055 7.639 0.677 1.00 41.10 H new ATOM 0 HZ1 LYS A 42 12.257 9.214 2.192 1.00 43.43 H new ATOM 0 HZ2 LYS A 42 10.966 9.886 1.318 1.00 43.43 H new ATOM 0 HZ3 LYS A 42 10.773 9.509 2.963 1.00 43.43 H new ATOM 738 N LEU A 43 7.862 7.643 6.836 1.00 51.01 N ATOM 739 CA LEU A 43 6.608 7.817 7.569 1.00 31.35 C ATOM 740 C LEU A 43 5.427 7.999 6.617 1.00 73.44 C ATOM 741 O LEU A 43 5.609 8.181 5.416 1.00 34.30 O ATOM 742 CB LEU A 43 6.705 9.029 8.502 1.00 35.02 C ATOM 743 CG LEU A 43 7.890 9.019 9.471 1.00 1.53 C ATOM 744 CD1 LEU A 43 7.895 10.285 10.313 1.00 31.13 C ATOM 745 CD2 LEU A 43 7.845 7.787 10.363 1.00 31.50 C ATOM 0 H LEU A 43 8.503 8.432 6.915 1.00 51.01 H new ATOM 0 HA LEU A 43 6.440 6.915 8.157 1.00 31.35 H new ATOM 0 HB2 LEU A 43 6.763 9.931 7.893 1.00 35.02 H new ATOM 0 HB3 LEU A 43 5.784 9.095 9.082 1.00 35.02 H new ATOM 0 HG LEU A 43 8.810 8.985 8.888 1.00 1.53 H new ATOM 0 HD11 LEU A 43 8.743 10.264 10.997 1.00 31.13 H new ATOM 0 HD12 LEU A 43 7.976 11.155 9.661 1.00 31.13 H new ATOM 0 HD13 LEU A 43 6.969 10.345 10.885 1.00 31.13 H new ATOM 0 HD21 LEU A 43 8.696 7.800 11.044 1.00 31.50 H new ATOM 0 HD22 LEU A 43 6.919 7.788 10.939 1.00 31.50 H new ATOM 0 HD23 LEU A 43 7.887 6.889 9.746 1.00 31.50 H new ATOM 757 N LEU A 44 4.221 7.969 7.175 1.00 25.12 N ATOM 758 CA LEU A 44 2.996 8.094 6.391 1.00 74.11 C ATOM 759 C LEU A 44 2.940 9.439 5.666 1.00 22.31 C ATOM 760 O LEU A 44 2.474 9.527 4.532 1.00 52.51 O ATOM 761 CB LEU A 44 1.784 7.940 7.312 1.00 42.44 C ATOM 762 CG LEU A 44 0.425 7.898 6.612 1.00 31.11 C ATOM 763 CD1 LEU A 44 0.293 6.637 5.776 1.00 51.24 C ATOM 764 CD2 LEU A 44 -0.701 7.980 7.630 1.00 11.14 C ATOM 0 H LEU A 44 4.065 7.858 8.177 1.00 25.12 H new ATOM 0 HA LEU A 44 2.984 7.307 5.637 1.00 74.11 H new ATOM 0 HB2 LEU A 44 1.903 7.024 7.890 1.00 42.44 H new ATOM 0 HB3 LEU A 44 1.782 8.767 8.022 1.00 42.44 H new ATOM 0 HG LEU A 44 0.355 8.760 5.948 1.00 31.11 H new ATOM 0 HD11 LEU A 44 -0.681 6.626 5.286 1.00 51.24 H new ATOM 0 HD12 LEU A 44 1.079 6.617 5.021 1.00 51.24 H new ATOM 0 HD13 LEU A 44 0.385 5.762 6.420 1.00 51.24 H new ATOM 0 HD21 LEU A 44 -1.661 7.949 7.114 1.00 11.14 H new ATOM 0 HD22 LEU A 44 -0.631 7.138 8.318 1.00 11.14 H new ATOM 0 HD23 LEU A 44 -0.619 8.912 8.188 1.00 11.14 H new ATOM 776 N LYS A 45 3.428 10.484 6.324 1.00 3.24 N ATOM 777 CA LYS A 45 3.456 11.812 5.722 1.00 33.23 C ATOM 778 C LYS A 45 4.826 12.107 5.122 1.00 43.23 C ATOM 779 O LYS A 45 5.097 13.227 4.693 1.00 44.05 O ATOM 780 CB LYS A 45 3.095 12.893 6.744 1.00 73.43 C ATOM 781 CG LYS A 45 3.945 12.869 8.003 1.00 31.51 C ATOM 782 CD LYS A 45 3.959 14.231 8.678 1.00 33.54 C ATOM 783 CE LYS A 45 4.778 15.228 7.876 1.00 74.05 C ATOM 784 NZ LYS A 45 4.698 16.600 8.434 1.00 34.32 N ATOM 0 H LYS A 45 3.808 10.439 7.270 1.00 3.24 H new ATOM 0 HA LYS A 45 2.711 11.825 4.927 1.00 33.23 H new ATOM 0 HB2 LYS A 45 3.193 13.871 6.272 1.00 73.43 H new ATOM 0 HB3 LYS A 45 2.048 12.777 7.024 1.00 73.43 H new ATOM 0 HG2 LYS A 45 3.556 12.121 8.694 1.00 31.51 H new ATOM 0 HG3 LYS A 45 4.964 12.573 7.753 1.00 31.51 H new ATOM 0 HD2 LYS A 45 2.938 14.597 8.787 1.00 33.54 H new ATOM 0 HD3 LYS A 45 4.373 14.139 9.682 1.00 33.54 H new ATOM 0 HE2 LYS A 45 5.819 14.907 7.856 1.00 74.05 H new ATOM 0 HE3 LYS A 45 4.427 15.237 6.844 1.00 74.05 H new ATOM 0 HZ1 LYS A 45 5.272 17.245 7.854 1.00 34.32 H new ATOM 0 HZ2 LYS A 45 3.708 16.919 8.430 1.00 34.32 H new ATOM 0 HZ3 LYS A 45 5.057 16.599 9.410 1.00 34.32 H new ATOM 798 N ASP A 46 5.685 11.096 5.087 1.00 31.13 N ATOM 799 CA ASP A 46 7.005 11.240 4.481 1.00 15.34 C ATOM 800 C ASP A 46 6.938 10.747 3.044 1.00 45.21 C ATOM 801 O ASP A 46 7.927 10.749 2.312 1.00 20.44 O ATOM 802 CB ASP A 46 8.050 10.443 5.271 1.00 41.22 C ATOM 803 CG ASP A 46 9.478 10.867 4.980 1.00 63.41 C ATOM 804 OD1 ASP A 46 9.900 11.926 5.483 1.00 53.03 O ATOM 805 OD2 ASP A 46 10.200 10.120 4.292 1.00 64.13 O ATOM 0 H ASP A 46 5.493 10.170 5.469 1.00 31.13 H new ATOM 0 HA ASP A 46 7.302 12.289 4.497 1.00 15.34 H new ATOM 0 HB2 ASP A 46 7.855 10.559 6.337 1.00 41.22 H new ATOM 0 HB3 ASP A 46 7.939 9.384 5.040 1.00 41.22 H new ATOM 810 N ILE A 47 5.740 10.324 2.655 1.00 20.43 N ATOM 811 CA ILE A 47 5.492 9.811 1.319 1.00 22.40 C ATOM 812 C ILE A 47 5.274 10.963 0.351 1.00 42.34 C ATOM 813 O ILE A 47 4.240 11.631 0.386 1.00 35.42 O ATOM 814 CB ILE A 47 4.247 8.890 1.276 1.00 25.21 C ATOM 815 CG1 ILE A 47 4.318 7.819 2.373 1.00 45.02 C ATOM 816 CG2 ILE A 47 4.111 8.239 -0.098 1.00 14.13 C ATOM 817 CD1 ILE A 47 5.507 6.896 2.253 1.00 53.45 C ATOM 0 H ILE A 47 4.917 10.328 3.258 1.00 20.43 H new ATOM 0 HA ILE A 47 6.367 9.229 1.031 1.00 22.40 H new ATOM 0 HB ILE A 47 3.365 9.504 1.459 1.00 25.21 H new ATOM 0 HG12 ILE A 47 4.349 8.311 3.345 1.00 45.02 H new ATOM 0 HG13 ILE A 47 3.405 7.224 2.346 1.00 45.02 H new ATOM 0 HG21 ILE A 47 3.231 7.595 -0.110 1.00 14.13 H new ATOM 0 HG22 ILE A 47 4.005 9.013 -0.858 1.00 14.13 H new ATOM 0 HG23 ILE A 47 4.999 7.643 -0.308 1.00 14.13 H new ATOM 0 HD11 ILE A 47 5.486 6.168 3.064 1.00 53.45 H new ATOM 0 HD12 ILE A 47 5.468 6.375 1.297 1.00 53.45 H new ATOM 0 HD13 ILE A 47 6.427 7.478 2.312 1.00 53.45 H new ATOM 829 N LYS A 48 6.256 11.217 -0.492 1.00 55.04 N ATOM 830 CA LYS A 48 6.092 12.195 -1.552 1.00 21.45 C ATOM 831 C LYS A 48 5.319 11.552 -2.694 1.00 71.30 C ATOM 832 O LYS A 48 5.504 10.370 -2.981 1.00 3.43 O ATOM 833 CB LYS A 48 7.448 12.714 -2.062 1.00 72.54 C ATOM 834 CG LYS A 48 8.186 13.640 -1.100 1.00 51.41 C ATOM 835 CD LYS A 48 8.674 12.910 0.140 1.00 30.51 C ATOM 836 CE LYS A 48 9.569 13.791 0.994 1.00 34.24 C ATOM 837 NZ LYS A 48 8.869 15.007 1.486 1.00 74.04 N ATOM 0 H LYS A 48 7.170 10.764 -0.465 1.00 55.04 H new ATOM 0 HA LYS A 48 5.544 13.050 -1.156 1.00 21.45 H new ATOM 0 HB2 LYS A 48 8.088 11.859 -2.283 1.00 72.54 H new ATOM 0 HB3 LYS A 48 7.288 13.243 -3.001 1.00 72.54 H new ATOM 0 HG2 LYS A 48 9.036 14.090 -1.612 1.00 51.41 H new ATOM 0 HG3 LYS A 48 7.525 14.454 -0.803 1.00 51.41 H new ATOM 0 HD2 LYS A 48 7.818 12.581 0.729 1.00 30.51 H new ATOM 0 HD3 LYS A 48 9.220 12.014 -0.156 1.00 30.51 H new ATOM 0 HE2 LYS A 48 9.934 13.216 1.845 1.00 34.24 H new ATOM 0 HE3 LYS A 48 10.442 14.088 0.413 1.00 34.24 H new ATOM 0 HZ1 LYS A 48 9.494 15.530 2.131 1.00 74.04 H new ATOM 0 HZ2 LYS A 48 8.618 15.613 0.679 1.00 74.04 H new ATOM 0 HZ3 LYS A 48 8.004 14.729 1.992 1.00 74.04 H new ATOM 851 N ARG A 49 4.444 12.322 -3.327 1.00 14.52 N ATOM 852 CA ARG A 49 3.666 11.831 -4.462 1.00 2.23 C ATOM 853 C ARG A 49 4.588 11.310 -5.565 1.00 21.53 C ATOM 854 O ARG A 49 4.250 10.365 -6.276 1.00 13.12 O ATOM 855 CB ARG A 49 2.758 12.945 -4.994 1.00 44.12 C ATOM 856 CG ARG A 49 3.511 14.213 -5.360 1.00 23.51 C ATOM 857 CD ARG A 49 2.569 15.355 -5.696 1.00 52.44 C ATOM 858 NE ARG A 49 1.921 15.896 -4.505 1.00 50.33 N ATOM 859 CZ ARG A 49 1.121 16.965 -4.513 1.00 62.25 C ATOM 860 NH1 ARG A 49 0.842 17.583 -5.655 1.00 12.11 N ATOM 861 NH2 ARG A 49 0.615 17.421 -3.377 1.00 64.32 N ATOM 0 H ARG A 49 4.253 13.292 -3.075 1.00 14.52 H new ATOM 0 HA ARG A 49 3.043 11.002 -4.127 1.00 2.23 H new ATOM 0 HB2 ARG A 49 2.225 12.581 -5.873 1.00 44.12 H new ATOM 0 HB3 ARG A 49 2.006 13.182 -4.241 1.00 44.12 H new ATOM 0 HG2 ARG A 49 4.154 14.505 -4.530 1.00 23.51 H new ATOM 0 HG3 ARG A 49 4.161 14.016 -6.213 1.00 23.51 H new ATOM 0 HD2 ARG A 49 3.124 16.147 -6.199 1.00 52.44 H new ATOM 0 HD3 ARG A 49 1.809 15.005 -6.395 1.00 52.44 H new ATOM 0 HE ARG A 49 2.089 15.430 -3.614 1.00 50.33 H new ATOM 0 HH11 ARG A 49 1.239 17.241 -6.530 1.00 12.11 H new ATOM 0 HH12 ARG A 49 0.230 18.399 -5.657 1.00 12.11 H new ATOM 0 HH21 ARG A 49 0.837 16.956 -2.497 1.00 64.32 H new ATOM 0 HH22 ARG A 49 0.004 18.238 -3.382 1.00 64.32 H new ATOM 875 N THR A 50 5.761 11.919 -5.683 1.00 72.42 N ATOM 876 CA THR A 50 6.749 11.497 -6.660 1.00 61.34 C ATOM 877 C THR A 50 7.361 10.147 -6.275 1.00 73.40 C ATOM 878 O THR A 50 7.628 9.308 -7.134 1.00 41.42 O ATOM 879 CB THR A 50 7.855 12.552 -6.789 1.00 44.40 C ATOM 880 OG1 THR A 50 7.295 13.852 -6.558 1.00 72.23 O ATOM 881 CG2 THR A 50 8.480 12.506 -8.174 1.00 54.30 C ATOM 0 H THR A 50 6.050 12.711 -5.109 1.00 72.42 H new ATOM 0 HA THR A 50 6.246 11.386 -7.620 1.00 61.34 H new ATOM 0 HB THR A 50 8.630 12.343 -6.052 1.00 44.40 H new ATOM 0 HG1 THR A 50 7.998 14.530 -6.638 1.00 72.23 H new ATOM 0 HG21 THR A 50 9.262 13.262 -8.245 1.00 54.30 H new ATOM 0 HG22 THR A 50 8.911 11.520 -8.346 1.00 54.30 H new ATOM 0 HG23 THR A 50 7.715 12.703 -8.925 1.00 54.30 H new ATOM 889 N GLU A 51 7.564 9.942 -4.975 1.00 14.03 N ATOM 890 CA GLU A 51 8.074 8.672 -4.465 1.00 52.41 C ATOM 891 C GLU A 51 7.067 7.570 -4.735 1.00 65.43 C ATOM 892 O GLU A 51 7.421 6.458 -5.130 1.00 12.33 O ATOM 893 CB GLU A 51 8.331 8.762 -2.958 1.00 41.32 C ATOM 894 CG GLU A 51 9.314 9.847 -2.560 1.00 14.52 C ATOM 895 CD GLU A 51 10.720 9.573 -3.042 1.00 1.11 C ATOM 896 OE1 GLU A 51 11.024 9.886 -4.208 1.00 61.00 O ATOM 897 OE2 GLU A 51 11.536 9.062 -2.247 1.00 10.34 O ATOM 0 H GLU A 51 7.382 10.641 -4.255 1.00 14.03 H new ATOM 0 HA GLU A 51 9.012 8.448 -4.972 1.00 52.41 H new ATOM 0 HB2 GLU A 51 7.384 8.941 -2.449 1.00 41.32 H new ATOM 0 HB3 GLU A 51 8.706 7.801 -2.606 1.00 41.32 H new ATOM 0 HG2 GLU A 51 8.977 10.802 -2.964 1.00 14.52 H new ATOM 0 HG3 GLU A 51 9.320 9.944 -1.474 1.00 14.52 H new ATOM 904 N TYR A 52 5.801 7.900 -4.519 1.00 23.15 N ATOM 905 CA TYR A 52 4.713 6.970 -4.754 1.00 32.14 C ATOM 906 C TYR A 52 4.611 6.632 -6.238 1.00 22.22 C ATOM 907 O TYR A 52 4.305 5.497 -6.609 1.00 15.13 O ATOM 908 CB TYR A 52 3.400 7.571 -4.244 1.00 51.40 C ATOM 909 CG TYR A 52 2.214 6.646 -4.361 1.00 32.31 C ATOM 910 CD1 TYR A 52 2.186 5.435 -3.684 1.00 30.15 C ATOM 911 CD2 TYR A 52 1.117 6.988 -5.141 1.00 14.44 C ATOM 912 CE1 TYR A 52 1.101 4.589 -3.784 1.00 34.52 C ATOM 913 CE2 TYR A 52 0.029 6.146 -5.245 1.00 51.14 C ATOM 914 CZ TYR A 52 0.026 4.950 -4.565 1.00 51.12 C ATOM 915 OH TYR A 52 -1.058 4.111 -4.665 1.00 41.12 O ATOM 0 H TYR A 52 5.504 8.814 -4.178 1.00 23.15 H new ATOM 0 HA TYR A 52 4.911 6.046 -4.210 1.00 32.14 H new ATOM 0 HB2 TYR A 52 3.524 7.855 -3.199 1.00 51.40 H new ATOM 0 HB3 TYR A 52 3.191 8.485 -4.800 1.00 51.40 H new ATOM 0 HD1 TYR A 52 3.027 5.150 -3.069 1.00 30.15 H new ATOM 0 HD2 TYR A 52 1.116 7.927 -5.674 1.00 14.44 H new ATOM 0 HE1 TYR A 52 1.095 3.649 -3.253 1.00 34.52 H new ATOM 0 HE2 TYR A 52 -0.816 6.424 -5.857 1.00 51.14 H new ATOM 0 HH TYR A 52 -1.730 4.514 -5.253 1.00 41.12 H new ATOM 925 N GLN A 53 4.880 7.623 -7.085 1.00 53.31 N ATOM 926 CA GLN A 53 4.897 7.412 -8.527 1.00 10.31 C ATOM 927 C GLN A 53 5.960 6.381 -8.898 1.00 62.32 C ATOM 928 O GLN A 53 5.719 5.498 -9.725 1.00 62.40 O ATOM 929 CB GLN A 53 5.161 8.729 -9.263 1.00 24.53 C ATOM 930 CG GLN A 53 5.159 8.591 -10.779 1.00 31.31 C ATOM 931 CD GLN A 53 3.822 8.122 -11.318 1.00 10.32 C ATOM 932 OE1 GLN A 53 2.956 8.929 -11.650 1.00 22.24 O ATOM 933 NE2 GLN A 53 3.645 6.815 -11.421 1.00 24.01 N ATOM 0 H GLN A 53 5.089 8.579 -6.796 1.00 53.31 H new ATOM 0 HA GLN A 53 3.920 7.036 -8.830 1.00 10.31 H new ATOM 0 HB2 GLN A 53 4.403 9.456 -8.972 1.00 24.53 H new ATOM 0 HB3 GLN A 53 6.124 9.127 -8.944 1.00 24.53 H new ATOM 0 HG2 GLN A 53 5.411 9.552 -11.228 1.00 31.31 H new ATOM 0 HG3 GLN A 53 5.935 7.886 -11.077 1.00 31.31 H new ATOM 0 HE21 GLN A 53 4.387 6.176 -11.135 1.00 24.01 H new ATOM 0 HE22 GLN A 53 2.767 6.446 -11.786 1.00 24.01 H new ATOM 942 N LYS A 54 7.133 6.500 -8.280 1.00 14.32 N ATOM 943 CA LYS A 54 8.218 5.545 -8.488 1.00 1.31 C ATOM 944 C LYS A 54 7.779 4.149 -8.080 1.00 32.22 C ATOM 945 O LYS A 54 8.002 3.180 -8.802 1.00 53.14 O ATOM 946 CB LYS A 54 9.444 5.938 -7.667 1.00 64.25 C ATOM 947 CG LYS A 54 9.998 7.307 -8.001 1.00 70.34 C ATOM 948 CD LYS A 54 11.072 7.705 -7.010 1.00 31.20 C ATOM 949 CE LYS A 54 11.617 9.089 -7.301 1.00 55.34 C ATOM 950 NZ LYS A 54 12.594 9.516 -6.271 1.00 74.32 N ATOM 0 H LYS A 54 7.357 7.252 -7.628 1.00 14.32 H new ATOM 0 HA LYS A 54 8.474 5.553 -9.548 1.00 1.31 H new ATOM 0 HB2 LYS A 54 9.183 5.911 -6.609 1.00 64.25 H new ATOM 0 HB3 LYS A 54 10.225 5.194 -7.822 1.00 64.25 H new ATOM 0 HG2 LYS A 54 10.411 7.302 -9.010 1.00 70.34 H new ATOM 0 HG3 LYS A 54 9.194 8.043 -7.989 1.00 70.34 H new ATOM 0 HD2 LYS A 54 10.663 7.680 -6.000 1.00 31.20 H new ATOM 0 HD3 LYS A 54 11.885 6.979 -7.043 1.00 31.20 H new ATOM 0 HE2 LYS A 54 12.094 9.095 -8.281 1.00 55.34 H new ATOM 0 HE3 LYS A 54 10.795 9.804 -7.343 1.00 55.34 H new ATOM 0 HZ1 LYS A 54 13.274 10.181 -6.692 1.00 74.32 H new ATOM 0 HZ2 LYS A 54 12.092 9.983 -5.489 1.00 74.32 H new ATOM 0 HZ3 LYS A 54 13.103 8.684 -5.909 1.00 74.32 H new ATOM 964 N PHE A 55 7.156 4.065 -6.911 1.00 71.41 N ATOM 965 CA PHE A 55 6.659 2.804 -6.382 1.00 41.25 C ATOM 966 C PHE A 55 5.697 2.143 -7.366 1.00 73.34 C ATOM 967 O PHE A 55 5.770 0.937 -7.609 1.00 5.43 O ATOM 968 CB PHE A 55 5.972 3.044 -5.033 1.00 23.13 C ATOM 969 CG PHE A 55 5.349 1.816 -4.434 1.00 62.42 C ATOM 970 CD1 PHE A 55 6.137 0.760 -4.008 1.00 15.33 C ATOM 971 CD2 PHE A 55 3.973 1.718 -4.301 1.00 74.21 C ATOM 972 CE1 PHE A 55 5.565 -0.371 -3.462 1.00 44.54 C ATOM 973 CE2 PHE A 55 3.397 0.589 -3.754 1.00 52.52 C ATOM 974 CZ PHE A 55 4.194 -0.457 -3.335 1.00 33.13 C ATOM 0 H PHE A 55 6.982 4.867 -6.306 1.00 71.41 H new ATOM 0 HA PHE A 55 7.502 2.129 -6.236 1.00 41.25 H new ATOM 0 HB2 PHE A 55 6.703 3.446 -4.332 1.00 23.13 H new ATOM 0 HB3 PHE A 55 5.201 3.804 -5.160 1.00 23.13 H new ATOM 0 HD1 PHE A 55 7.211 0.822 -4.104 1.00 15.33 H new ATOM 0 HD2 PHE A 55 3.345 2.533 -4.629 1.00 74.21 H new ATOM 0 HE1 PHE A 55 6.190 -1.188 -3.134 1.00 44.54 H new ATOM 0 HE2 PHE A 55 2.324 0.524 -3.654 1.00 52.52 H new ATOM 0 HZ PHE A 55 3.745 -1.342 -2.908 1.00 33.13 H new ATOM 984 N LEU A 56 4.810 2.943 -7.942 1.00 11.34 N ATOM 985 CA LEU A 56 3.846 2.443 -8.912 1.00 54.54 C ATOM 986 C LEU A 56 4.538 2.008 -10.198 1.00 62.55 C ATOM 987 O LEU A 56 4.236 0.953 -10.745 1.00 61.34 O ATOM 988 CB LEU A 56 2.799 3.509 -9.230 1.00 20.51 C ATOM 989 CG LEU A 56 1.919 3.934 -8.056 1.00 73.24 C ATOM 990 CD1 LEU A 56 0.936 5.002 -8.499 1.00 2.55 C ATOM 991 CD2 LEU A 56 1.183 2.736 -7.475 1.00 22.31 C ATOM 0 H LEU A 56 4.738 3.943 -7.754 1.00 11.34 H new ATOM 0 HA LEU A 56 3.353 1.577 -8.470 1.00 54.54 H new ATOM 0 HB2 LEU A 56 3.309 4.391 -9.618 1.00 20.51 H new ATOM 0 HB3 LEU A 56 2.156 3.136 -10.028 1.00 20.51 H new ATOM 0 HG LEU A 56 2.557 4.350 -7.276 1.00 73.24 H new ATOM 0 HD11 LEU A 56 0.314 5.297 -7.654 1.00 2.55 H new ATOM 0 HD12 LEU A 56 1.483 5.870 -8.867 1.00 2.55 H new ATOM 0 HD13 LEU A 56 0.304 4.607 -9.294 1.00 2.55 H new ATOM 0 HD21 LEU A 56 0.562 3.060 -6.640 1.00 22.31 H new ATOM 0 HD22 LEU A 56 0.553 2.288 -8.244 1.00 22.31 H new ATOM 0 HD23 LEU A 56 1.906 2.000 -7.125 1.00 22.31 H new ATOM 1003 N ASN A 57 5.468 2.825 -10.675 1.00 72.13 N ATOM 1004 CA ASN A 57 6.200 2.517 -11.899 1.00 4.32 C ATOM 1005 C ASN A 57 7.014 1.243 -11.741 1.00 20.44 C ATOM 1006 O ASN A 57 7.110 0.442 -12.667 1.00 33.01 O ATOM 1007 CB ASN A 57 7.110 3.678 -12.293 1.00 14.21 C ATOM 1008 CG ASN A 57 6.367 4.772 -13.035 1.00 33.54 C ATOM 1009 OD1 ASN A 57 5.164 4.959 -12.856 1.00 71.23 O ATOM 1010 ND2 ASN A 57 7.085 5.509 -13.869 1.00 30.44 N ATOM 0 H ASN A 57 5.734 3.706 -10.234 1.00 72.13 H new ATOM 0 HA ASN A 57 5.470 2.362 -12.693 1.00 4.32 H new ATOM 0 HB2 ASN A 57 7.567 4.097 -11.397 1.00 14.21 H new ATOM 0 HB3 ASN A 57 7.920 3.304 -12.919 1.00 14.21 H new ATOM 0 HD21 ASN A 57 6.643 6.265 -14.392 1.00 30.44 H new ATOM 0 HD22 ASN A 57 8.080 5.321 -13.988 1.00 30.44 H new ATOM 1017 N GLU A 58 7.591 1.061 -10.561 1.00 4.24 N ATOM 1018 CA GLU A 58 8.365 -0.134 -10.262 1.00 30.41 C ATOM 1019 C GLU A 58 7.448 -1.353 -10.187 1.00 33.24 C ATOM 1020 O GLU A 58 7.764 -2.422 -10.709 1.00 1.22 O ATOM 1021 CB GLU A 58 9.109 0.046 -8.936 1.00 53.02 C ATOM 1022 CG GLU A 58 10.094 -1.069 -8.622 1.00 72.35 C ATOM 1023 CD GLU A 58 11.206 -1.170 -9.644 1.00 53.03 C ATOM 1024 OE1 GLU A 58 11.822 -0.129 -9.959 1.00 51.51 O ATOM 1025 OE2 GLU A 58 11.469 -2.288 -10.131 1.00 64.33 O ATOM 0 H GLU A 58 7.537 1.730 -9.793 1.00 4.24 H new ATOM 0 HA GLU A 58 9.091 -0.292 -11.059 1.00 30.41 H new ATOM 0 HB2 GLU A 58 9.645 0.995 -8.958 1.00 53.02 H new ATOM 0 HB3 GLU A 58 8.380 0.111 -8.128 1.00 53.02 H new ATOM 0 HG2 GLU A 58 10.526 -0.899 -7.636 1.00 72.35 H new ATOM 0 HG3 GLU A 58 9.560 -2.018 -8.577 1.00 72.35 H new ATOM 1032 N TYR A 59 6.301 -1.179 -9.545 1.00 52.43 N ATOM 1033 CA TYR A 59 5.343 -2.263 -9.387 1.00 52.14 C ATOM 1034 C TYR A 59 4.725 -2.622 -10.736 1.00 24.33 C ATOM 1035 O TYR A 59 4.420 -3.787 -11.000 1.00 44.22 O ATOM 1036 CB TYR A 59 4.252 -1.862 -8.391 1.00 21.35 C ATOM 1037 CG TYR A 59 3.453 -3.027 -7.857 1.00 63.03 C ATOM 1038 CD1 TYR A 59 3.951 -3.811 -6.826 1.00 2.51 C ATOM 1039 CD2 TYR A 59 2.204 -3.340 -8.377 1.00 42.24 C ATOM 1040 CE1 TYR A 59 3.228 -4.876 -6.327 1.00 25.22 C ATOM 1041 CE2 TYR A 59 1.474 -4.404 -7.883 1.00 62.30 C ATOM 1042 CZ TYR A 59 1.991 -5.170 -6.858 1.00 42.02 C ATOM 1043 OH TYR A 59 1.269 -6.232 -6.365 1.00 44.44 O ATOM 0 H TYR A 59 6.012 -0.296 -9.125 1.00 52.43 H new ATOM 0 HA TYR A 59 5.864 -3.138 -9.000 1.00 52.14 H new ATOM 0 HB2 TYR A 59 4.713 -1.336 -7.555 1.00 21.35 H new ATOM 0 HB3 TYR A 59 3.573 -1.159 -8.874 1.00 21.35 H new ATOM 0 HD1 TYR A 59 4.920 -3.584 -6.407 1.00 2.51 H new ATOM 0 HD2 TYR A 59 1.797 -2.743 -9.180 1.00 42.24 H new ATOM 0 HE1 TYR A 59 3.630 -5.476 -5.524 1.00 25.22 H new ATOM 0 HE2 TYR A 59 0.504 -4.635 -8.297 1.00 62.30 H new ATOM 0 HH TYR A 59 0.357 -5.940 -6.159 1.00 44.44 H new ATOM 1053 N GLY A 60 4.573 -1.616 -11.591 1.00 51.52 N ATOM 1054 CA GLY A 60 4.009 -1.823 -12.911 1.00 45.42 C ATOM 1055 C GLY A 60 5.021 -2.369 -13.899 1.00 25.22 C ATOM 1056 O GLY A 60 4.752 -2.438 -15.097 1.00 14.41 O ATOM 0 H GLY A 60 4.834 -0.651 -11.389 1.00 51.52 H new ATOM 0 HA2 GLY A 60 3.169 -2.513 -12.839 1.00 45.42 H new ATOM 0 HA3 GLY A 60 3.614 -0.878 -13.286 1.00 45.42 H new ATOM 1060 N LEU A 61 6.205 -2.705 -13.407 1.00 44.25 N ATOM 1061 CA LEU A 61 7.199 -3.399 -14.214 1.00 54.13 C ATOM 1062 C LEU A 61 7.042 -4.906 -14.053 1.00 63.11 C ATOM 1063 O LEU A 61 7.317 -5.677 -14.972 1.00 34.20 O ATOM 1064 CB LEU A 61 8.619 -2.991 -13.810 1.00 52.10 C ATOM 1065 CG LEU A 61 8.975 -1.520 -14.032 1.00 34.22 C ATOM 1066 CD1 LEU A 61 10.368 -1.223 -13.502 1.00 61.54 C ATOM 1067 CD2 LEU A 61 8.883 -1.166 -15.507 1.00 32.41 C ATOM 0 H LEU A 61 6.501 -2.508 -12.451 1.00 44.25 H new ATOM 0 HA LEU A 61 7.039 -3.121 -15.256 1.00 54.13 H new ATOM 0 HB2 LEU A 61 8.758 -3.224 -12.754 1.00 52.10 H new ATOM 0 HB3 LEU A 61 9.326 -3.605 -14.368 1.00 52.10 H new ATOM 0 HG LEU A 61 8.259 -0.907 -13.484 1.00 34.22 H new ATOM 0 HD11 LEU A 61 10.604 -0.172 -13.669 1.00 61.54 H new ATOM 0 HD12 LEU A 61 10.405 -1.438 -12.434 1.00 61.54 H new ATOM 0 HD13 LEU A 61 11.096 -1.845 -14.023 1.00 61.54 H new ATOM 0 HD21 LEU A 61 9.140 -0.116 -15.646 1.00 32.41 H new ATOM 0 HD22 LEU A 61 9.576 -1.787 -16.074 1.00 32.41 H new ATOM 0 HD23 LEU A 61 7.867 -1.341 -15.860 1.00 32.41 H new ATOM 1079 N THR A 62 6.591 -5.315 -12.878 1.00 74.44 N ATOM 1080 CA THR A 62 6.487 -6.727 -12.551 1.00 44.11 C ATOM 1081 C THR A 62 5.042 -7.215 -12.597 1.00 43.22 C ATOM 1082 O THR A 62 4.783 -8.409 -12.754 1.00 1.23 O ATOM 1083 CB THR A 62 7.079 -7.003 -11.156 1.00 61.34 C ATOM 1084 OG1 THR A 62 6.596 -6.029 -10.216 1.00 45.54 O ATOM 1085 CG2 THR A 62 8.599 -6.962 -11.197 1.00 1.42 C ATOM 0 H THR A 62 6.290 -4.686 -12.133 1.00 74.44 H new ATOM 0 HA THR A 62 7.055 -7.274 -13.303 1.00 44.11 H new ATOM 0 HB THR A 62 6.765 -7.998 -10.842 1.00 61.34 H new ATOM 0 HG1 THR A 62 5.708 -6.294 -9.898 1.00 45.54 H new ATOM 0 HG21 THR A 62 8.995 -7.160 -10.201 1.00 1.42 H new ATOM 0 HG22 THR A 62 8.965 -7.720 -11.890 1.00 1.42 H new ATOM 0 HG23 THR A 62 8.928 -5.977 -11.529 1.00 1.42 H new ATOM 1093 N HIS A 63 4.104 -6.288 -12.463 1.00 74.44 N ATOM 1094 CA HIS A 63 2.692 -6.634 -12.410 1.00 23.23 C ATOM 1095 C HIS A 63 1.919 -5.847 -13.453 1.00 71.11 C ATOM 1096 O HIS A 63 2.370 -4.789 -13.894 1.00 30.14 O ATOM 1097 CB HIS A 63 2.128 -6.350 -11.015 1.00 32.24 C ATOM 1098 CG HIS A 63 2.764 -7.165 -9.932 1.00 4.13 C ATOM 1099 ND1 HIS A 63 3.989 -6.858 -9.377 1.00 2.40 N ATOM 1100 CD2 HIS A 63 2.336 -8.279 -9.296 1.00 20.21 C ATOM 1101 CE1 HIS A 63 4.284 -7.748 -8.450 1.00 74.21 C ATOM 1102 NE2 HIS A 63 3.299 -8.620 -8.380 1.00 4.01 N ATOM 0 H HIS A 63 4.297 -5.289 -12.389 1.00 74.44 H new ATOM 0 HA HIS A 63 2.587 -7.698 -12.622 1.00 23.23 H new ATOM 0 HB2 HIS A 63 2.261 -5.292 -10.787 1.00 32.24 H new ATOM 0 HB3 HIS A 63 1.055 -6.543 -11.020 1.00 32.24 H new ATOM 0 HD2 HIS A 63 1.409 -8.803 -9.476 1.00 20.21 H new ATOM 0 HE1 HIS A 63 5.182 -7.760 -7.849 1.00 74.21 H new ATOM 0 HE2 HIS A 63 3.259 -9.419 -7.747 1.00 4.01 H new ATOM 1111 N SER A 64 0.763 -6.360 -13.847 1.00 25.25 N ATOM 1112 CA SER A 64 -0.058 -5.695 -14.844 1.00 43.43 C ATOM 1113 C SER A 64 -0.946 -4.635 -14.186 1.00 70.13 C ATOM 1114 O SER A 64 -0.898 -4.435 -12.965 1.00 21.13 O ATOM 1115 CB SER A 64 -0.902 -6.725 -15.611 1.00 61.10 C ATOM 1116 OG SER A 64 -1.616 -6.124 -16.681 1.00 30.31 O ATOM 0 H SER A 64 0.374 -7.233 -13.491 1.00 25.25 H new ATOM 0 HA SER A 64 0.594 -5.191 -15.557 1.00 43.43 H new ATOM 0 HB2 SER A 64 -0.253 -7.509 -16.001 1.00 61.10 H new ATOM 0 HB3 SER A 64 -1.604 -7.202 -14.927 1.00 61.10 H new ATOM 0 HG SER A 64 -2.141 -6.807 -17.149 1.00 30.31 H new ATOM 1122 N TYR A 65 -1.765 -3.979 -15.000 1.00 11.05 N ATOM 1123 CA TYR A 65 -2.560 -2.837 -14.564 1.00 70.13 C ATOM 1124 C TYR A 65 -3.568 -3.213 -13.483 1.00 1.30 C ATOM 1125 O TYR A 65 -3.871 -2.405 -12.607 1.00 11.45 O ATOM 1126 CB TYR A 65 -3.293 -2.224 -15.756 1.00 71.34 C ATOM 1127 CG TYR A 65 -4.101 -0.995 -15.406 1.00 0.14 C ATOM 1128 CD1 TYR A 65 -3.484 0.241 -15.264 1.00 21.00 C ATOM 1129 CD2 TYR A 65 -5.478 -1.069 -15.214 1.00 22.02 C ATOM 1130 CE1 TYR A 65 -4.210 1.372 -14.946 1.00 61.42 C ATOM 1131 CE2 TYR A 65 -6.213 0.060 -14.895 1.00 43.24 C ATOM 1132 CZ TYR A 65 -5.574 1.277 -14.763 1.00 13.30 C ATOM 1133 OH TYR A 65 -6.302 2.405 -14.456 1.00 35.40 O ATOM 0 H TYR A 65 -1.897 -4.224 -15.981 1.00 11.05 H new ATOM 0 HA TYR A 65 -1.871 -2.110 -14.135 1.00 70.13 H new ATOM 0 HB2 TYR A 65 -2.565 -1.963 -16.524 1.00 71.34 H new ATOM 0 HB3 TYR A 65 -3.956 -2.973 -16.188 1.00 71.34 H new ATOM 0 HD1 TYR A 65 -2.416 0.319 -15.405 1.00 21.00 H new ATOM 0 HD2 TYR A 65 -5.980 -2.020 -15.315 1.00 22.02 H new ATOM 0 HE1 TYR A 65 -3.713 2.325 -14.841 1.00 61.42 H new ATOM 0 HE2 TYR A 65 -7.281 -0.011 -14.750 1.00 43.24 H new ATOM 0 HH TYR A 65 -7.248 2.168 -14.361 1.00 35.40 H new ATOM 1143 N GLU A 66 -4.086 -4.427 -13.531 1.00 63.23 N ATOM 1144 CA GLU A 66 -5.124 -4.816 -12.595 1.00 23.11 C ATOM 1145 C GLU A 66 -4.552 -4.991 -11.193 1.00 64.13 C ATOM 1146 O GLU A 66 -5.115 -4.488 -10.223 1.00 62.22 O ATOM 1147 CB GLU A 66 -5.817 -6.099 -13.033 1.00 45.52 C ATOM 1148 CG GLU A 66 -7.174 -6.273 -12.385 1.00 3.11 C ATOM 1149 CD GLU A 66 -7.627 -7.714 -12.357 1.00 53.31 C ATOM 1150 OE1 GLU A 66 -7.200 -8.448 -11.444 1.00 4.33 O ATOM 1151 OE2 GLU A 66 -8.416 -8.116 -13.233 1.00 3.14 O ATOM 0 H GLU A 66 -3.811 -5.150 -14.196 1.00 63.23 H new ATOM 0 HA GLU A 66 -5.863 -4.015 -12.580 1.00 23.11 H new ATOM 0 HB2 GLU A 66 -5.933 -6.094 -14.117 1.00 45.52 H new ATOM 0 HB3 GLU A 66 -5.186 -6.952 -12.784 1.00 45.52 H new ATOM 0 HG2 GLU A 66 -7.137 -5.888 -11.366 1.00 3.11 H new ATOM 0 HG3 GLU A 66 -7.909 -5.676 -12.925 1.00 3.11 H new ATOM 1158 N THR A 67 -3.433 -5.692 -11.089 1.00 43.33 N ATOM 1159 CA THR A 67 -2.818 -5.946 -9.795 1.00 10.10 C ATOM 1160 C THR A 67 -2.311 -4.652 -9.160 1.00 35.10 C ATOM 1161 O THR A 67 -2.456 -4.448 -7.953 1.00 11.34 O ATOM 1162 CB THR A 67 -1.662 -6.954 -9.914 1.00 52.35 C ATOM 1163 OG1 THR A 67 -2.098 -8.101 -10.655 1.00 13.32 O ATOM 1164 CG2 THR A 67 -1.185 -7.397 -8.539 1.00 62.33 C ATOM 0 H THR A 67 -2.934 -6.094 -11.882 1.00 43.33 H new ATOM 0 HA THR A 67 -3.588 -6.373 -9.153 1.00 10.10 H new ATOM 0 HB THR A 67 -0.835 -6.468 -10.431 1.00 52.35 H new ATOM 0 HG1 THR A 67 -1.360 -8.741 -10.731 1.00 13.32 H new ATOM 0 HG21 THR A 67 -0.367 -8.109 -8.650 1.00 62.33 H new ATOM 0 HG22 THR A 67 -0.837 -6.530 -7.978 1.00 62.33 H new ATOM 0 HG23 THR A 67 -2.008 -7.870 -8.003 1.00 62.33 H new ATOM 1172 N ILE A 68 -1.741 -3.767 -9.971 1.00 21.41 N ATOM 1173 CA ILE A 68 -1.286 -2.478 -9.463 1.00 13.10 C ATOM 1174 C ILE A 68 -2.491 -1.641 -9.033 1.00 3.31 C ATOM 1175 O ILE A 68 -2.419 -0.874 -8.076 1.00 71.42 O ATOM 1176 CB ILE A 68 -0.407 -1.704 -10.483 1.00 44.20 C ATOM 1177 CG1 ILE A 68 0.213 -0.466 -9.831 1.00 31.10 C ATOM 1178 CG2 ILE A 68 -1.203 -1.304 -11.715 1.00 50.42 C ATOM 1179 CD1 ILE A 68 1.106 0.321 -10.764 1.00 30.41 C ATOM 0 H ILE A 68 -1.585 -3.915 -10.968 1.00 21.41 H new ATOM 0 HA ILE A 68 -0.649 -2.671 -8.600 1.00 13.10 H new ATOM 0 HB ILE A 68 0.392 -2.374 -10.801 1.00 44.20 H new ATOM 0 HG12 ILE A 68 -0.585 0.183 -9.470 1.00 31.10 H new ATOM 0 HG13 ILE A 68 0.792 -0.774 -8.960 1.00 31.10 H new ATOM 0 HG21 ILE A 68 -0.556 -0.764 -12.407 1.00 50.42 H new ATOM 0 HG22 ILE A 68 -1.591 -2.198 -12.203 1.00 50.42 H new ATOM 0 HG23 ILE A 68 -2.033 -0.663 -11.419 1.00 50.42 H new ATOM 0 HD11 ILE A 68 1.512 1.185 -10.237 1.00 30.41 H new ATOM 0 HD12 ILE A 68 1.924 -0.313 -11.105 1.00 30.41 H new ATOM 0 HD13 ILE A 68 0.527 0.659 -11.623 1.00 30.41 H new ATOM 1191 N ARG A 69 -3.605 -1.807 -9.744 1.00 4.33 N ATOM 1192 CA ARG A 69 -4.862 -1.162 -9.377 1.00 62.52 C ATOM 1193 C ARG A 69 -5.361 -1.694 -8.031 1.00 34.43 C ATOM 1194 O ARG A 69 -5.868 -0.937 -7.205 1.00 1.34 O ATOM 1195 CB ARG A 69 -5.912 -1.401 -10.463 1.00 0.32 C ATOM 1196 CG ARG A 69 -7.188 -0.597 -10.286 1.00 42.31 C ATOM 1197 CD ARG A 69 -8.202 -0.952 -11.356 1.00 62.34 C ATOM 1198 NE ARG A 69 -9.319 -0.015 -11.392 1.00 21.04 N ATOM 1199 CZ ARG A 69 -10.385 -0.166 -12.173 1.00 34.40 C ATOM 1200 NH1 ARG A 69 -10.521 -1.265 -12.905 1.00 51.31 N ATOM 1201 NH2 ARG A 69 -11.324 0.766 -12.209 1.00 35.42 N ATOM 0 H ARG A 69 -3.661 -2.386 -10.582 1.00 4.33 H new ATOM 0 HA ARG A 69 -4.690 -0.090 -9.284 1.00 62.52 H new ATOM 0 HB2 ARG A 69 -5.476 -1.160 -11.433 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -6.164 -2.461 -10.481 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -7.611 -0.790 -9.300 1.00 42.31 H new ATOM 0 HG3 ARG A 69 -6.961 0.468 -10.333 1.00 42.31 H new ATOM 0 HD2 ARG A 69 -7.711 -0.966 -12.329 1.00 62.34 H new ATOM 0 HD3 ARG A 69 -8.580 -1.958 -11.176 1.00 62.34 H new ATOM 0 HE ARG A 69 -9.281 0.803 -10.784 1.00 21.04 H new ATOM 0 HH11 ARG A 69 -9.808 -1.994 -12.868 1.00 51.31 H new ATOM 0 HH12 ARG A 69 -11.338 -1.381 -13.504 1.00 51.31 H new ATOM 0 HH21 ARG A 69 -11.232 1.605 -11.636 1.00 35.42 H new ATOM 0 HH22 ARG A 69 -12.140 0.645 -12.810 1.00 35.42 H new ATOM 1215 N LYS A 70 -5.213 -3.003 -7.819 1.00 34.51 N ATOM 1216 CA LYS A 70 -5.549 -3.615 -6.534 1.00 31.45 C ATOM 1217 C LYS A 70 -4.713 -2.989 -5.425 1.00 74.40 C ATOM 1218 O LYS A 70 -5.246 -2.563 -4.401 1.00 12.10 O ATOM 1219 CB LYS A 70 -5.318 -5.132 -6.571 1.00 34.13 C ATOM 1220 CG LYS A 70 -6.561 -5.952 -6.894 1.00 45.21 C ATOM 1221 CD LYS A 70 -7.220 -5.508 -8.189 1.00 55.02 C ATOM 1222 CE LYS A 70 -8.464 -6.327 -8.499 1.00 21.43 C ATOM 1223 NZ LYS A 70 -8.135 -7.713 -8.928 1.00 63.15 N ATOM 0 H LYS A 70 -4.864 -3.657 -8.519 1.00 34.51 H new ATOM 0 HA LYS A 70 -6.605 -3.434 -6.335 1.00 31.45 H new ATOM 0 HB2 LYS A 70 -4.550 -5.352 -7.313 1.00 34.13 H new ATOM 0 HB3 LYS A 70 -4.928 -5.451 -5.604 1.00 34.13 H new ATOM 0 HG2 LYS A 70 -6.290 -7.005 -6.968 1.00 45.21 H new ATOM 0 HG3 LYS A 70 -7.276 -5.864 -6.076 1.00 45.21 H new ATOM 0 HD2 LYS A 70 -7.487 -4.454 -8.118 1.00 55.02 H new ATOM 0 HD3 LYS A 70 -6.509 -5.602 -9.010 1.00 55.02 H new ATOM 0 HE2 LYS A 70 -9.101 -6.364 -7.616 1.00 21.43 H new ATOM 0 HE3 LYS A 70 -9.036 -5.832 -9.284 1.00 21.43 H new ATOM 0 HZ1 LYS A 70 -9.005 -8.281 -8.964 1.00 63.15 H new ATOM 0 HZ2 LYS A 70 -7.697 -7.690 -9.871 1.00 63.15 H new ATOM 0 HZ3 LYS A 70 -7.472 -8.139 -8.249 1.00 63.15 H new ATOM 1237 N LEU A 71 -3.408 -2.928 -5.652 1.00 74.35 N ATOM 1238 CA LEU A 71 -2.483 -2.279 -4.731 1.00 22.50 C ATOM 1239 C LEU A 71 -2.924 -0.842 -4.456 1.00 72.11 C ATOM 1240 O LEU A 71 -3.038 -0.422 -3.303 1.00 34.40 O ATOM 1241 CB LEU A 71 -1.077 -2.292 -5.332 1.00 74.31 C ATOM 1242 CG LEU A 71 -0.021 -1.494 -4.570 1.00 64.34 C ATOM 1243 CD1 LEU A 71 0.231 -2.102 -3.200 1.00 60.32 C ATOM 1244 CD2 LEU A 71 1.263 -1.426 -5.378 1.00 55.55 C ATOM 0 H LEU A 71 -2.961 -3.326 -6.478 1.00 74.35 H new ATOM 0 HA LEU A 71 -2.479 -2.823 -3.787 1.00 22.50 H new ATOM 0 HB2 LEU A 71 -0.742 -3.327 -5.403 1.00 74.31 H new ATOM 0 HB3 LEU A 71 -1.134 -1.905 -6.349 1.00 74.31 H new ATOM 0 HG LEU A 71 -0.391 -0.480 -4.420 1.00 64.34 H new ATOM 0 HD11 LEU A 71 0.987 -1.517 -2.676 1.00 60.32 H new ATOM 0 HD12 LEU A 71 -0.695 -2.098 -2.624 1.00 60.32 H new ATOM 0 HD13 LEU A 71 0.582 -3.127 -3.316 1.00 60.32 H new ATOM 0 HD21 LEU A 71 2.010 -0.855 -4.827 1.00 55.55 H new ATOM 0 HD22 LEU A 71 1.635 -2.435 -5.555 1.00 55.55 H new ATOM 0 HD23 LEU A 71 1.066 -0.939 -6.333 1.00 55.55 H new ATOM 1256 N ASN A 72 -3.178 -0.110 -5.536 1.00 50.52 N ATOM 1257 CA ASN A 72 -3.682 1.263 -5.471 1.00 21.20 C ATOM 1258 C ASN A 72 -4.905 1.355 -4.557 1.00 62.44 C ATOM 1259 O ASN A 72 -4.984 2.230 -3.695 1.00 1.41 O ATOM 1260 CB ASN A 72 -4.048 1.734 -6.883 1.00 2.14 C ATOM 1261 CG ASN A 72 -4.637 3.132 -6.926 1.00 10.42 C ATOM 1262 OD1 ASN A 72 -4.252 4.015 -6.164 1.00 3.31 O ATOM 1263 ND2 ASN A 72 -5.589 3.337 -7.827 1.00 54.10 N ATOM 0 H ASN A 72 -3.040 -0.452 -6.487 1.00 50.52 H new ATOM 0 HA ASN A 72 -2.903 1.903 -5.058 1.00 21.20 H new ATOM 0 HB2 ASN A 72 -3.156 1.706 -7.509 1.00 2.14 H new ATOM 0 HB3 ASN A 72 -4.763 1.034 -7.316 1.00 2.14 H new ATOM 0 HD21 ASN A 72 -6.029 4.254 -7.905 1.00 54.10 H new ATOM 0 HD22 ASN A 72 -5.881 2.578 -8.442 1.00 54.10 H new ATOM 1270 N SER A 73 -5.842 0.433 -4.739 1.00 63.02 N ATOM 1271 CA SER A 73 -7.068 0.406 -3.949 1.00 54.13 C ATOM 1272 C SER A 73 -6.758 0.263 -2.456 1.00 22.23 C ATOM 1273 O SER A 73 -7.330 0.973 -1.627 1.00 43.53 O ATOM 1274 CB SER A 73 -7.968 -0.745 -4.416 1.00 1.02 C ATOM 1275 OG SER A 73 -9.196 -0.774 -3.703 1.00 63.44 O ATOM 0 H SER A 73 -5.776 -0.312 -5.433 1.00 63.02 H new ATOM 0 HA SER A 73 -7.590 1.351 -4.097 1.00 54.13 H new ATOM 0 HB2 SER A 73 -8.169 -0.640 -5.482 1.00 1.02 H new ATOM 0 HB3 SER A 73 -7.446 -1.693 -4.281 1.00 1.02 H new ATOM 0 HG SER A 73 -9.745 -1.518 -4.027 1.00 63.44 H new ATOM 1281 N TYR A 74 -5.841 -0.644 -2.120 1.00 63.22 N ATOM 1282 CA TYR A 74 -5.488 -0.892 -0.724 1.00 42.32 C ATOM 1283 C TYR A 74 -4.825 0.342 -0.125 1.00 2.23 C ATOM 1284 O TYR A 74 -5.144 0.756 0.988 1.00 34.13 O ATOM 1285 CB TYR A 74 -4.537 -2.089 -0.595 1.00 71.11 C ATOM 1286 CG TYR A 74 -4.987 -3.336 -1.329 1.00 74.11 C ATOM 1287 CD1 TYR A 74 -6.332 -3.666 -1.436 1.00 11.02 C ATOM 1288 CD2 TYR A 74 -4.055 -4.184 -1.919 1.00 55.02 C ATOM 1289 CE1 TYR A 74 -6.735 -4.802 -2.110 1.00 10.20 C ATOM 1290 CE2 TYR A 74 -4.450 -5.320 -2.593 1.00 45.11 C ATOM 1291 CZ TYR A 74 -5.790 -5.626 -2.688 1.00 75.33 C ATOM 1292 OH TYR A 74 -6.188 -6.753 -3.367 1.00 43.12 O ATOM 0 H TYR A 74 -5.331 -1.217 -2.793 1.00 63.22 H new ATOM 0 HA TYR A 74 -6.407 -1.117 -0.184 1.00 42.32 H new ATOM 0 HB2 TYR A 74 -3.555 -1.798 -0.969 1.00 71.11 H new ATOM 0 HB3 TYR A 74 -4.417 -2.329 0.462 1.00 71.11 H new ATOM 0 HD1 TYR A 74 -7.074 -3.024 -0.985 1.00 11.02 H new ATOM 0 HD2 TYR A 74 -3.003 -3.948 -1.848 1.00 55.02 H new ATOM 0 HE1 TYR A 74 -7.785 -5.045 -2.185 1.00 10.20 H new ATOM 0 HE2 TYR A 74 -3.712 -5.967 -3.044 1.00 45.11 H new ATOM 0 HH TYR A 74 -7.073 -6.603 -3.759 1.00 43.12 H new ATOM 1302 N ILE A 75 -3.911 0.931 -0.884 1.00 20.50 N ATOM 1303 CA ILE A 75 -3.172 2.101 -0.434 1.00 25.11 C ATOM 1304 C ILE A 75 -4.102 3.295 -0.213 1.00 43.32 C ATOM 1305 O ILE A 75 -3.984 4.005 0.786 1.00 13.25 O ATOM 1306 CB ILE A 75 -2.062 2.473 -1.443 1.00 23.22 C ATOM 1307 CG1 ILE A 75 -1.044 1.332 -1.536 1.00 23.23 C ATOM 1308 CG2 ILE A 75 -1.375 3.771 -1.046 1.00 62.52 C ATOM 1309 CD1 ILE A 75 0.036 1.555 -2.572 1.00 60.25 C ATOM 0 H ILE A 75 -3.663 0.614 -1.821 1.00 20.50 H new ATOM 0 HA ILE A 75 -2.708 1.848 0.519 1.00 25.11 H new ATOM 0 HB ILE A 75 -2.518 2.625 -2.421 1.00 23.22 H new ATOM 0 HG12 ILE A 75 -0.576 1.196 -0.561 1.00 23.23 H new ATOM 0 HG13 ILE A 75 -1.571 0.407 -1.768 1.00 23.23 H new ATOM 0 HG21 ILE A 75 -0.599 4.009 -1.773 1.00 62.52 H new ATOM 0 HG22 ILE A 75 -2.108 4.578 -1.021 1.00 62.52 H new ATOM 0 HG23 ILE A 75 -0.926 3.658 -0.059 1.00 62.52 H new ATOM 0 HD11 ILE A 75 0.717 0.704 -2.577 1.00 60.25 H new ATOM 0 HD12 ILE A 75 -0.420 1.660 -3.556 1.00 60.25 H new ATOM 0 HD13 ILE A 75 0.590 2.462 -2.330 1.00 60.25 H new ATOM 1321 N ARG A 76 -5.036 3.503 -1.134 1.00 21.32 N ATOM 1322 CA ARG A 76 -5.982 4.607 -1.011 1.00 63.23 C ATOM 1323 C ARG A 76 -6.879 4.413 0.201 1.00 53.12 C ATOM 1324 O ARG A 76 -7.160 5.362 0.927 1.00 1.43 O ATOM 1325 CB ARG A 76 -6.833 4.757 -2.273 1.00 43.42 C ATOM 1326 CG ARG A 76 -6.028 5.155 -3.495 1.00 61.32 C ATOM 1327 CD ARG A 76 -6.923 5.529 -4.664 1.00 44.33 C ATOM 1328 NE ARG A 76 -6.138 5.929 -5.829 1.00 22.40 N ATOM 1329 CZ ARG A 76 -6.463 6.925 -6.653 1.00 42.25 C ATOM 1330 NH1 ARG A 76 -7.577 7.620 -6.457 1.00 10.41 N ATOM 1331 NH2 ARG A 76 -5.670 7.224 -7.673 1.00 45.33 N ATOM 0 H ARG A 76 -5.159 2.928 -1.967 1.00 21.32 H new ATOM 0 HA ARG A 76 -5.403 5.521 -0.881 1.00 63.23 H new ATOM 0 HB2 ARG A 76 -7.343 3.815 -2.473 1.00 43.42 H new ATOM 0 HB3 ARG A 76 -7.605 5.506 -2.095 1.00 43.42 H new ATOM 0 HG2 ARG A 76 -5.383 5.998 -3.247 1.00 61.32 H new ATOM 0 HG3 ARG A 76 -5.377 4.331 -3.785 1.00 61.32 H new ATOM 0 HD2 ARG A 76 -7.557 4.682 -4.924 1.00 44.33 H new ATOM 0 HD3 ARG A 76 -7.584 6.344 -4.372 1.00 44.33 H new ATOM 0 HE ARG A 76 -5.282 5.410 -6.026 1.00 22.40 H new ATOM 0 HH11 ARG A 76 -8.189 7.393 -5.673 1.00 10.41 H new ATOM 0 HH12 ARG A 76 -7.821 8.381 -7.090 1.00 10.41 H new ATOM 0 HH21 ARG A 76 -4.813 6.692 -7.826 1.00 45.33 H new ATOM 0 HH22 ARG A 76 -5.917 7.986 -8.305 1.00 45.33 H new ATOM 1345 N ASN A 77 -7.307 3.177 0.427 1.00 41.22 N ATOM 1346 CA ASN A 77 -8.164 2.859 1.566 1.00 32.21 C ATOM 1347 C ASN A 77 -7.407 3.081 2.876 1.00 50.45 C ATOM 1348 O ASN A 77 -7.978 3.528 3.867 1.00 45.14 O ATOM 1349 CB ASN A 77 -8.664 1.413 1.474 1.00 25.12 C ATOM 1350 CG ASN A 77 -9.775 1.097 2.468 1.00 2.52 C ATOM 1351 OD1 ASN A 77 -9.890 -0.032 2.945 1.00 72.33 O ATOM 1352 ND2 ASN A 77 -10.618 2.076 2.762 1.00 65.43 N ATOM 0 H ASN A 77 -7.076 2.377 -0.162 1.00 41.22 H new ATOM 0 HA ASN A 77 -9.028 3.523 1.547 1.00 32.21 H new ATOM 0 HB2 ASN A 77 -9.025 1.224 0.463 1.00 25.12 H new ATOM 0 HB3 ASN A 77 -7.828 0.735 1.646 1.00 25.12 H new ATOM 0 HD21 ASN A 77 -11.393 1.906 3.403 1.00 65.43 H new ATOM 0 HD22 ASN A 77 -10.492 2.999 2.348 1.00 65.43 H new ATOM 1359 N ALA A 78 -6.109 2.786 2.859 1.00 45.12 N ATOM 1360 CA ALA A 78 -5.254 2.998 4.022 1.00 34.25 C ATOM 1361 C ALA A 78 -5.093 4.488 4.326 1.00 50.22 C ATOM 1362 O ALA A 78 -5.245 4.914 5.473 1.00 75.33 O ATOM 1363 CB ALA A 78 -3.895 2.348 3.804 1.00 61.31 C ATOM 0 H ALA A 78 -5.626 2.398 2.049 1.00 45.12 H new ATOM 0 HA ALA A 78 -5.732 2.531 4.883 1.00 34.25 H new ATOM 0 HB1 ALA A 78 -3.268 2.514 4.680 1.00 61.31 H new ATOM 0 HB2 ALA A 78 -4.025 1.277 3.648 1.00 61.31 H new ATOM 0 HB3 ALA A 78 -3.418 2.787 2.927 1.00 61.31 H new ATOM 1369 N PHE A 79 -4.785 5.276 3.296 1.00 31.13 N ATOM 1370 CA PHE A 79 -4.640 6.721 3.460 1.00 23.14 C ATOM 1371 C PHE A 79 -5.967 7.361 3.844 1.00 61.11 C ATOM 1372 O PHE A 79 -6.013 8.245 4.699 1.00 30.12 O ATOM 1373 CB PHE A 79 -4.104 7.373 2.180 1.00 54.10 C ATOM 1374 CG PHE A 79 -2.610 7.357 2.068 1.00 72.11 C ATOM 1375 CD1 PHE A 79 -1.840 8.206 2.844 1.00 70.51 C ATOM 1376 CD2 PHE A 79 -1.973 6.509 1.178 1.00 13.15 C ATOM 1377 CE1 PHE A 79 -0.464 8.210 2.738 1.00 53.21 C ATOM 1378 CE2 PHE A 79 -0.596 6.508 1.068 1.00 70.04 C ATOM 1379 CZ PHE A 79 0.160 7.361 1.848 1.00 64.23 C ATOM 0 H PHE A 79 -4.632 4.940 2.345 1.00 31.13 H new ATOM 0 HA PHE A 79 -3.922 6.886 4.263 1.00 23.14 H new ATOM 0 HB2 PHE A 79 -4.528 6.859 1.317 1.00 54.10 H new ATOM 0 HB3 PHE A 79 -4.450 8.406 2.138 1.00 54.10 H new ATOM 0 HD1 PHE A 79 -2.322 8.874 3.542 1.00 70.51 H new ATOM 0 HD2 PHE A 79 -2.559 5.841 0.563 1.00 13.15 H new ATOM 0 HE1 PHE A 79 0.124 8.877 3.351 1.00 53.21 H new ATOM 0 HE2 PHE A 79 -0.110 5.840 0.372 1.00 70.04 H new ATOM 0 HZ PHE A 79 1.237 7.363 1.761 1.00 64.23 H new ATOM 1389 N ASP A 80 -7.044 6.896 3.222 1.00 32.53 N ATOM 1390 CA ASP A 80 -8.377 7.427 3.485 1.00 44.22 C ATOM 1391 C ASP A 80 -8.782 7.185 4.934 1.00 3.00 C ATOM 1392 O ASP A 80 -9.454 8.013 5.548 1.00 62.21 O ATOM 1393 CB ASP A 80 -9.399 6.795 2.540 1.00 51.22 C ATOM 1394 CG ASP A 80 -10.807 7.285 2.795 1.00 40.32 C ATOM 1395 OD1 ASP A 80 -11.099 8.461 2.491 1.00 45.31 O ATOM 1396 OD2 ASP A 80 -11.636 6.492 3.283 1.00 53.05 O ATOM 0 H ASP A 80 -7.020 6.148 2.528 1.00 32.53 H new ATOM 0 HA ASP A 80 -8.353 8.503 3.310 1.00 44.22 H new ATOM 0 HB2 ASP A 80 -9.122 7.017 1.510 1.00 51.22 H new ATOM 0 HB3 ASP A 80 -9.370 5.711 2.651 1.00 51.22 H new ATOM 1401 N ASP A 81 -8.354 6.055 5.480 1.00 31.21 N ATOM 1402 CA ASP A 81 -8.611 5.736 6.878 1.00 63.30 C ATOM 1403 C ASP A 81 -7.879 6.724 7.782 1.00 12.13 C ATOM 1404 O ASP A 81 -8.448 7.266 8.729 1.00 54.04 O ATOM 1405 CB ASP A 81 -8.156 4.307 7.186 1.00 3.52 C ATOM 1406 CG ASP A 81 -8.576 3.845 8.565 1.00 44.13 C ATOM 1407 OD1 ASP A 81 -9.691 3.291 8.694 1.00 65.44 O ATOM 1408 OD2 ASP A 81 -7.802 4.022 9.525 1.00 3.01 O ATOM 0 H ASP A 81 -7.826 5.343 4.975 1.00 31.21 H new ATOM 0 HA ASP A 81 -9.682 5.811 7.065 1.00 63.30 H new ATOM 0 HB2 ASP A 81 -8.569 3.629 6.439 1.00 3.52 H new ATOM 0 HB3 ASP A 81 -7.071 4.250 7.103 1.00 3.52 H new ATOM 1413 N ALA A 82 -6.616 6.971 7.455 1.00 33.21 N ATOM 1414 CA ALA A 82 -5.775 7.873 8.232 1.00 75.50 C ATOM 1415 C ALA A 82 -6.249 9.318 8.119 1.00 54.43 C ATOM 1416 O ALA A 82 -6.375 10.021 9.124 1.00 32.01 O ATOM 1417 CB ALA A 82 -4.330 7.760 7.771 1.00 31.51 C ATOM 0 H ALA A 82 -6.149 6.555 6.649 1.00 33.21 H new ATOM 0 HA ALA A 82 -5.847 7.580 9.279 1.00 75.50 H new ATOM 0 HB1 ALA A 82 -3.707 8.437 8.356 1.00 31.51 H new ATOM 0 HB2 ALA A 82 -3.983 6.736 7.910 1.00 31.51 H new ATOM 0 HB3 ALA A 82 -4.263 8.026 6.716 1.00 31.51 H new ATOM 1423 N ILE A 83 -6.512 9.755 6.896 1.00 52.14 N ATOM 1424 CA ILE A 83 -6.916 11.132 6.638 1.00 24.10 C ATOM 1425 C ILE A 83 -8.255 11.431 7.299 1.00 22.30 C ATOM 1426 O ILE A 83 -8.500 12.551 7.744 1.00 45.20 O ATOM 1427 CB ILE A 83 -6.992 11.425 5.122 1.00 74.21 C ATOM 1428 CG1 ILE A 83 -7.028 12.932 4.865 1.00 1.21 C ATOM 1429 CG2 ILE A 83 -8.206 10.755 4.487 1.00 12.42 C ATOM 1430 CD1 ILE A 83 -7.004 13.294 3.395 1.00 45.11 C ATOM 0 H ILE A 83 -6.453 9.172 6.061 1.00 52.14 H new ATOM 0 HA ILE A 83 -6.156 11.784 7.069 1.00 24.10 H new ATOM 0 HB ILE A 83 -6.096 11.010 4.661 1.00 74.21 H new ATOM 0 HG12 ILE A 83 -7.927 13.349 5.319 1.00 1.21 H new ATOM 0 HG13 ILE A 83 -6.176 13.398 5.360 1.00 1.21 H new ATOM 0 HG21 ILE A 83 -8.230 10.981 3.421 1.00 12.42 H new ATOM 0 HG22 ILE A 83 -8.141 9.676 4.628 1.00 12.42 H new ATOM 0 HG23 ILE A 83 -9.115 11.129 4.958 1.00 12.42 H new ATOM 0 HD11 ILE A 83 -7.032 14.378 3.287 1.00 45.11 H new ATOM 0 HD12 ILE A 83 -6.092 12.907 2.940 1.00 45.11 H new ATOM 0 HD13 ILE A 83 -7.871 12.858 2.899 1.00 45.11 H new ATOM 1442 N HIS A 84 -9.106 10.412 7.379 1.00 71.12 N ATOM 1443 CA HIS A 84 -10.412 10.543 8.008 1.00 1.40 C ATOM 1444 C HIS A 84 -10.255 10.915 9.477 1.00 53.41 C ATOM 1445 O HIS A 84 -11.085 11.628 10.041 1.00 12.43 O ATOM 1446 CB HIS A 84 -11.195 9.236 7.882 1.00 74.14 C ATOM 1447 CG HIS A 84 -12.630 9.355 8.282 1.00 30.32 C ATOM 1448 ND1 HIS A 84 -13.099 9.000 9.524 1.00 24.14 N ATOM 1449 CD2 HIS A 84 -13.704 9.780 7.582 1.00 2.34 C ATOM 1450 CE1 HIS A 84 -14.403 9.198 9.571 1.00 55.35 C ATOM 1451 NE2 HIS A 84 -14.795 9.672 8.405 1.00 24.30 N ATOM 0 H HIS A 84 -8.910 9.481 7.012 1.00 71.12 H new ATOM 0 HA HIS A 84 -10.963 11.334 7.500 1.00 1.40 H new ATOM 0 HB2 HIS A 84 -11.142 8.889 6.850 1.00 74.14 H new ATOM 0 HB3 HIS A 84 -10.717 8.475 8.499 1.00 74.14 H new ATOM 0 HD1 HIS A 84 -12.529 8.640 10.289 1.00 24.14 H new ATOM 0 HD2 HIS A 84 -13.703 10.138 6.563 1.00 2.34 H new ATOM 0 HE1 HIS A 84 -15.041 9.004 10.421 1.00 55.35 H new ATOM 1460 N GLU A 85 -9.173 10.446 10.081 1.00 53.41 N ATOM 1461 CA GLU A 85 -8.907 10.708 11.489 1.00 33.44 C ATOM 1462 C GLU A 85 -7.924 11.862 11.648 1.00 52.11 C ATOM 1463 O GLU A 85 -7.534 12.215 12.762 1.00 25.32 O ATOM 1464 CB GLU A 85 -8.372 9.454 12.184 1.00 74.11 C ATOM 1465 CG GLU A 85 -9.455 8.601 12.834 1.00 62.23 C ATOM 1466 CD GLU A 85 -10.502 8.101 11.858 1.00 65.14 C ATOM 1467 OE1 GLU A 85 -11.484 8.829 11.605 1.00 23.15 O ATOM 1468 OE2 GLU A 85 -10.365 6.967 11.361 1.00 52.14 O ATOM 0 H GLU A 85 -8.463 9.880 9.617 1.00 53.41 H new ATOM 0 HA GLU A 85 -9.848 10.989 11.962 1.00 33.44 H new ATOM 0 HB2 GLU A 85 -7.834 8.848 11.455 1.00 74.11 H new ATOM 0 HB3 GLU A 85 -7.651 9.752 12.946 1.00 74.11 H new ATOM 0 HG2 GLU A 85 -8.988 7.746 13.322 1.00 62.23 H new ATOM 0 HG3 GLU A 85 -9.946 9.184 13.613 1.00 62.23 H new ATOM 1475 N GLY A 86 -7.518 12.438 10.524 1.00 10.40 N ATOM 1476 CA GLY A 86 -6.642 13.595 10.549 1.00 71.55 C ATOM 1477 C GLY A 86 -5.198 13.221 10.795 1.00 2.30 C ATOM 1478 O GLY A 86 -4.412 14.032 11.288 1.00 11.41 O ATOM 0 H GLY A 86 -7.781 12.123 9.590 1.00 10.40 H new ATOM 0 HA2 GLY A 86 -6.720 14.127 9.601 1.00 71.55 H new ATOM 0 HA3 GLY A 86 -6.974 14.282 11.328 1.00 71.55 H new ATOM 1482 N TYR A 87 -4.847 11.987 10.462 1.00 31.30 N ATOM 1483 CA TYR A 87 -3.484 11.510 10.632 1.00 21.43 C ATOM 1484 C TYR A 87 -2.569 12.216 9.636 1.00 14.20 C ATOM 1485 O TYR A 87 -1.578 12.842 10.012 1.00 32.24 O ATOM 1486 CB TYR A 87 -3.430 9.993 10.418 1.00 42.30 C ATOM 1487 CG TYR A 87 -2.229 9.311 11.043 1.00 72.14 C ATOM 1488 CD1 TYR A 87 -0.936 9.733 10.763 1.00 4.33 C ATOM 1489 CD2 TYR A 87 -2.395 8.242 11.912 1.00 31.44 C ATOM 1490 CE1 TYR A 87 0.158 9.113 11.334 1.00 41.45 C ATOM 1491 CE2 TYR A 87 -1.304 7.613 12.488 1.00 62.22 C ATOM 1492 CZ TYR A 87 -0.031 8.054 12.195 1.00 11.10 C ATOM 1493 OH TYR A 87 1.061 7.449 12.776 1.00 40.21 O ATOM 0 H TYR A 87 -5.489 11.298 10.072 1.00 31.30 H new ATOM 0 HA TYR A 87 -3.147 11.731 11.645 1.00 21.43 H new ATOM 0 HB2 TYR A 87 -4.337 9.549 10.827 1.00 42.30 H new ATOM 0 HB3 TYR A 87 -3.430 9.790 9.347 1.00 42.30 H new ATOM 0 HD1 TYR A 87 -0.783 10.561 10.087 1.00 4.33 H new ATOM 0 HD2 TYR A 87 -3.391 7.895 12.143 1.00 31.44 H new ATOM 0 HE1 TYR A 87 1.156 9.456 11.107 1.00 41.45 H new ATOM 0 HE2 TYR A 87 -1.449 6.782 13.163 1.00 62.22 H new ATOM 0 HH TYR A 87 0.760 6.720 13.358 1.00 40.21 H new ATOM 1503 N VAL A 88 -2.919 12.118 8.365 1.00 43.22 N ATOM 1504 CA VAL A 88 -2.153 12.761 7.312 1.00 62.10 C ATOM 1505 C VAL A 88 -2.959 13.927 6.735 1.00 13.32 C ATOM 1506 O VAL A 88 -4.192 13.909 6.769 1.00 43.20 O ATOM 1507 CB VAL A 88 -1.775 11.745 6.205 1.00 54.24 C ATOM 1508 CG1 VAL A 88 -2.996 11.319 5.406 1.00 10.45 C ATOM 1509 CG2 VAL A 88 -0.686 12.297 5.294 1.00 62.21 C ATOM 0 H VAL A 88 -3.732 11.597 8.037 1.00 43.22 H new ATOM 0 HA VAL A 88 -1.224 13.147 7.732 1.00 62.10 H new ATOM 0 HB VAL A 88 -1.376 10.858 6.697 1.00 54.24 H new ATOM 0 HG11 VAL A 88 -2.697 10.606 4.637 1.00 10.45 H new ATOM 0 HG12 VAL A 88 -3.722 10.852 6.072 1.00 10.45 H new ATOM 0 HG13 VAL A 88 -3.446 12.193 4.935 1.00 10.45 H new ATOM 0 HG21 VAL A 88 -0.444 11.560 4.528 1.00 62.21 H new ATOM 0 HG22 VAL A 88 -1.039 13.212 4.818 1.00 62.21 H new ATOM 0 HG23 VAL A 88 0.205 12.515 5.883 1.00 62.21 H new ATOM 1519 N ILE A 89 -2.267 14.947 6.242 1.00 51.14 N ATOM 1520 CA ILE A 89 -2.930 16.137 5.719 1.00 70.42 C ATOM 1521 C ILE A 89 -3.709 15.822 4.435 1.00 54.23 C ATOM 1522 O ILE A 89 -4.931 15.980 4.389 1.00 45.21 O ATOM 1523 CB ILE A 89 -1.922 17.297 5.491 1.00 32.42 C ATOM 1524 CG1 ILE A 89 -2.605 18.481 4.795 1.00 32.03 C ATOM 1525 CG2 ILE A 89 -0.702 16.831 4.704 1.00 1.10 C ATOM 1526 CD1 ILE A 89 -1.695 19.673 4.580 1.00 71.01 C ATOM 0 H ILE A 89 -1.249 14.975 6.193 1.00 51.14 H new ATOM 0 HA ILE A 89 -3.647 16.467 6.471 1.00 70.42 H new ATOM 0 HB ILE A 89 -1.573 17.630 6.468 1.00 32.42 H new ATOM 0 HG12 ILE A 89 -2.989 18.150 3.830 1.00 32.03 H new ATOM 0 HG13 ILE A 89 -3.463 18.794 5.390 1.00 32.03 H new ATOM 0 HG21 ILE A 89 -0.018 17.668 4.563 1.00 1.10 H new ATOM 0 HG22 ILE A 89 -0.196 16.038 5.254 1.00 1.10 H new ATOM 0 HG23 ILE A 89 -1.019 16.454 3.732 1.00 1.10 H new ATOM 0 HD11 ILE A 89 -2.249 20.469 4.083 1.00 71.01 H new ATOM 0 HD12 ILE A 89 -1.331 20.031 5.543 1.00 71.01 H new ATOM 0 HD13 ILE A 89 -0.849 19.378 3.959 1.00 71.01 H new ATOM 1538 N LYS A 90 -3.010 15.368 3.402 1.00 44.30 N ATOM 1539 CA LYS A 90 -3.646 15.002 2.146 1.00 74.21 C ATOM 1540 C LYS A 90 -2.974 13.760 1.584 1.00 70.13 C ATOM 1541 O LYS A 90 -1.913 13.358 2.063 1.00 21.14 O ATOM 1542 CB LYS A 90 -3.582 16.150 1.126 1.00 13.14 C ATOM 1543 CG LYS A 90 -4.197 17.449 1.627 1.00 15.40 C ATOM 1544 CD LYS A 90 -4.447 18.434 0.497 1.00 51.40 C ATOM 1545 CE LYS A 90 -5.556 17.950 -0.422 1.00 51.11 C ATOM 1546 NZ LYS A 90 -5.910 18.964 -1.449 1.00 61.42 N ATOM 0 H LYS A 90 -1.998 15.245 3.412 1.00 44.30 H new ATOM 0 HA LYS A 90 -4.698 14.795 2.340 1.00 74.21 H new ATOM 0 HB2 LYS A 90 -2.540 16.330 0.860 1.00 13.14 H new ATOM 0 HB3 LYS A 90 -4.095 15.843 0.215 1.00 13.14 H new ATOM 0 HG2 LYS A 90 -5.137 17.233 2.134 1.00 15.40 H new ATOM 0 HG3 LYS A 90 -3.535 17.903 2.364 1.00 15.40 H new ATOM 0 HD2 LYS A 90 -4.714 19.406 0.912 1.00 51.40 H new ATOM 0 HD3 LYS A 90 -3.531 18.573 -0.077 1.00 51.40 H new ATOM 0 HE2 LYS A 90 -5.243 17.029 -0.914 1.00 51.11 H new ATOM 0 HE3 LYS A 90 -6.439 17.710 0.170 1.00 51.11 H new ATOM 0 HZ1 LYS A 90 -6.670 18.594 -2.055 1.00 61.42 H new ATOM 0 HZ2 LYS A 90 -6.233 19.834 -0.981 1.00 61.42 H new ATOM 0 HZ3 LYS A 90 -5.075 19.174 -2.032 1.00 61.42 H new ATOM 1560 N ASN A 91 -3.582 13.162 0.571 1.00 62.43 N ATOM 1561 CA ASN A 91 -3.078 11.908 0.022 1.00 11.12 C ATOM 1562 C ASN A 91 -2.018 12.150 -1.047 1.00 4.25 C ATOM 1563 O ASN A 91 -2.251 12.877 -2.017 1.00 73.41 O ATOM 1564 CB ASN A 91 -4.211 11.074 -0.585 1.00 11.43 C ATOM 1565 CG ASN A 91 -5.299 10.720 0.410 1.00 3.21 C ATOM 1566 OD1 ASN A 91 -5.055 10.607 1.608 1.00 60.33 O ATOM 1567 ND2 ASN A 91 -6.513 10.538 -0.088 1.00 40.25 N ATOM 0 H ASN A 91 -4.420 13.520 0.113 1.00 62.43 H new ATOM 0 HA ASN A 91 -2.629 11.362 0.852 1.00 11.12 H new ATOM 0 HB2 ASN A 91 -4.653 11.625 -1.415 1.00 11.43 H new ATOM 0 HB3 ASN A 91 -3.795 10.156 -0.999 1.00 11.43 H new ATOM 0 HD21 ASN A 91 -7.287 10.295 0.530 1.00 40.25 H new ATOM 0 HD22 ASN A 91 -6.674 10.641 -1.090 1.00 40.25 H new ATOM 1574 N PRO A 92 -0.838 11.527 -0.887 1.00 74.41 N ATOM 1575 CA PRO A 92 0.218 11.525 -1.906 1.00 52.52 C ATOM 1576 C PRO A 92 -0.180 10.671 -3.108 1.00 11.11 C ATOM 1577 O PRO A 92 0.520 10.620 -4.119 1.00 4.53 O ATOM 1578 CB PRO A 92 1.427 10.902 -1.189 1.00 50.32 C ATOM 1579 CG PRO A 92 1.067 10.882 0.259 1.00 2.24 C ATOM 1580 CD PRO A 92 -0.428 10.792 0.315 1.00 23.12 C ATOM 0 HA PRO A 92 0.419 12.524 -2.294 1.00 52.52 H new ATOM 0 HB2 PRO A 92 1.626 9.896 -1.558 1.00 50.32 H new ATOM 0 HB3 PRO A 92 2.330 11.488 -1.361 1.00 50.32 H new ATOM 0 HG2 PRO A 92 1.528 10.033 0.763 1.00 2.24 H new ATOM 0 HG3 PRO A 92 1.422 11.782 0.761 1.00 2.24 H new ATOM 0 HD2 PRO A 92 -0.773 9.758 0.295 1.00 23.12 H new ATOM 0 HD3 PRO A 92 -0.828 11.244 1.223 1.00 23.12 H new ATOM 1588 N THR A 93 -1.332 10.020 -2.987 1.00 54.14 N ATOM 1589 CA THR A 93 -1.877 9.175 -4.037 1.00 52.22 C ATOM 1590 C THR A 93 -2.425 10.020 -5.194 1.00 15.21 C ATOM 1591 O THR A 93 -3.072 9.509 -6.109 1.00 12.10 O ATOM 1592 CB THR A 93 -2.998 8.294 -3.463 1.00 33.34 C ATOM 1593 OG1 THR A 93 -2.657 7.894 -2.129 1.00 54.11 O ATOM 1594 CG2 THR A 93 -3.215 7.055 -4.316 1.00 5.13 C ATOM 0 H THR A 93 -1.915 10.066 -2.152 1.00 54.14 H new ATOM 0 HA THR A 93 -1.075 8.545 -4.422 1.00 52.22 H new ATOM 0 HB THR A 93 -3.919 8.876 -3.458 1.00 33.34 H new ATOM 0 HG1 THR A 93 -3.373 7.334 -1.763 1.00 54.11 H new ATOM 0 HG21 THR A 93 -4.014 6.452 -3.885 1.00 5.13 H new ATOM 0 HG22 THR A 93 -3.491 7.353 -5.327 1.00 5.13 H new ATOM 0 HG23 THR A 93 -2.296 6.470 -4.348 1.00 5.13 H new ATOM 1602 N TYR A 94 -2.162 11.319 -5.140 1.00 34.52 N ATOM 1603 CA TYR A 94 -2.535 12.240 -6.207 1.00 71.55 C ATOM 1604 C TYR A 94 -1.883 11.830 -7.523 1.00 15.04 C ATOM 1605 O TYR A 94 -2.485 11.933 -8.590 1.00 30.41 O ATOM 1606 CB TYR A 94 -2.112 13.666 -5.824 1.00 34.15 C ATOM 1607 CG TYR A 94 -2.127 14.657 -6.971 1.00 73.11 C ATOM 1608 CD1 TYR A 94 -0.997 14.846 -7.760 1.00 31.35 C ATOM 1609 CD2 TYR A 94 -3.262 15.403 -7.261 1.00 53.33 C ATOM 1610 CE1 TYR A 94 -0.997 15.746 -8.804 1.00 24.42 C ATOM 1611 CE2 TYR A 94 -3.270 16.309 -8.304 1.00 41.32 C ATOM 1612 CZ TYR A 94 -2.137 16.478 -9.073 1.00 53.13 C ATOM 1613 OH TYR A 94 -2.142 17.390 -10.106 1.00 54.10 O ATOM 0 H TYR A 94 -1.685 11.764 -4.356 1.00 34.52 H new ATOM 0 HA TYR A 94 -3.616 12.209 -6.340 1.00 71.55 H new ATOM 0 HB2 TYR A 94 -2.775 14.029 -5.038 1.00 34.15 H new ATOM 0 HB3 TYR A 94 -1.107 13.632 -5.403 1.00 34.15 H new ATOM 0 HD1 TYR A 94 -0.103 14.277 -7.551 1.00 31.35 H new ATOM 0 HD2 TYR A 94 -4.151 15.273 -6.662 1.00 53.33 H new ATOM 0 HE1 TYR A 94 -0.111 15.878 -9.408 1.00 24.42 H new ATOM 0 HE2 TYR A 94 -4.160 16.883 -8.517 1.00 41.32 H new ATOM 0 HH TYR A 94 -3.022 17.818 -10.160 1.00 54.10 H new ATOM 1623 N LYS A 95 -0.657 11.342 -7.434 1.00 12.11 N ATOM 1624 CA LYS A 95 0.130 11.037 -8.618 1.00 30.34 C ATOM 1625 C LYS A 95 0.016 9.549 -8.969 1.00 25.14 C ATOM 1626 O LYS A 95 0.889 8.976 -9.619 1.00 2.24 O ATOM 1627 CB LYS A 95 1.587 11.446 -8.366 1.00 0.24 C ATOM 1628 CG LYS A 95 2.433 11.615 -9.621 1.00 32.34 C ATOM 1629 CD LYS A 95 1.727 12.453 -10.672 1.00 13.43 C ATOM 1630 CE LYS A 95 2.640 12.753 -11.851 1.00 52.31 C ATOM 1631 NZ LYS A 95 3.082 11.520 -12.560 1.00 65.24 N ATOM 0 H LYS A 95 -0.184 11.148 -6.552 1.00 12.11 H new ATOM 0 HA LYS A 95 -0.250 11.599 -9.471 1.00 30.34 H new ATOM 0 HB2 LYS A 95 1.595 12.384 -7.811 1.00 0.24 H new ATOM 0 HB3 LYS A 95 2.055 10.695 -7.729 1.00 0.24 H new ATOM 0 HG2 LYS A 95 3.381 12.085 -9.359 1.00 32.34 H new ATOM 0 HG3 LYS A 95 2.667 10.634 -10.036 1.00 32.34 H new ATOM 0 HD2 LYS A 95 0.839 11.927 -11.023 1.00 13.43 H new ATOM 0 HD3 LYS A 95 1.388 13.388 -10.226 1.00 13.43 H new ATOM 0 HE2 LYS A 95 2.119 13.405 -12.553 1.00 52.31 H new ATOM 0 HE3 LYS A 95 3.515 13.299 -11.499 1.00 52.31 H new ATOM 0 HZ1 LYS A 95 4.095 11.592 -12.783 1.00 65.24 H new ATOM 0 HZ2 LYS A 95 2.919 10.692 -11.951 1.00 65.24 H new ATOM 0 HZ3 LYS A 95 2.540 11.413 -13.441 1.00 65.24 H new ATOM 1645 N ALA A 96 -1.084 8.933 -8.554 1.00 75.40 N ATOM 1646 CA ALA A 96 -1.330 7.529 -8.851 1.00 30.41 C ATOM 1647 C ALA A 96 -1.972 7.364 -10.221 1.00 15.11 C ATOM 1648 O ALA A 96 -3.173 7.116 -10.333 1.00 54.22 O ATOM 1649 CB ALA A 96 -2.200 6.893 -7.779 1.00 35.51 C ATOM 0 H ALA A 96 -1.820 9.385 -8.011 1.00 75.40 H new ATOM 0 HA ALA A 96 -0.367 7.018 -8.862 1.00 30.41 H new ATOM 0 HB1 ALA A 96 -2.370 5.844 -8.023 1.00 35.51 H new ATOM 0 HB2 ALA A 96 -1.699 6.964 -6.814 1.00 35.51 H new ATOM 0 HB3 ALA A 96 -3.156 7.414 -7.730 1.00 35.51 H new ATOM 1655 N GLU A 97 -1.168 7.529 -11.262 1.00 64.01 N ATOM 1656 CA GLU A 97 -1.651 7.388 -12.630 1.00 74.13 C ATOM 1657 C GLU A 97 -1.661 5.924 -13.053 1.00 2.33 C ATOM 1658 O GLU A 97 -2.304 5.559 -14.036 1.00 13.15 O ATOM 1659 CB GLU A 97 -0.775 8.188 -13.587 1.00 51.35 C ATOM 1660 CG GLU A 97 -0.658 9.656 -13.229 1.00 65.13 C ATOM 1661 CD GLU A 97 0.187 10.417 -14.220 1.00 62.31 C ATOM 1662 OE1 GLU A 97 1.421 10.244 -14.211 1.00 45.33 O ATOM 1663 OE2 GLU A 97 -0.380 11.191 -15.016 1.00 32.43 O ATOM 0 H GLU A 97 -0.178 7.761 -11.186 1.00 64.01 H new ATOM 0 HA GLU A 97 -2.670 7.772 -12.667 1.00 74.13 H new ATOM 0 HB2 GLU A 97 0.222 7.748 -13.606 1.00 51.35 H new ATOM 0 HB3 GLU A 97 -1.181 8.101 -14.595 1.00 51.35 H new ATOM 0 HG2 GLU A 97 -1.653 10.099 -13.187 1.00 65.13 H new ATOM 0 HG3 GLU A 97 -0.224 9.752 -12.234 1.00 65.13 H new ATOM 1670 N LEU A 98 -0.938 5.102 -12.291 1.00 12.53 N ATOM 1671 CA LEU A 98 -0.805 3.672 -12.571 1.00 72.34 C ATOM 1672 C LEU A 98 -0.185 3.441 -13.949 1.00 35.02 C ATOM 1673 O LEU A 98 -0.889 3.166 -14.918 1.00 63.01 O ATOM 1674 CB LEU A 98 -2.165 2.963 -12.477 1.00 22.02 C ATOM 1675 CG LEU A 98 -2.884 3.096 -11.133 1.00 21.34 C ATOM 1676 CD1 LEU A 98 -4.249 2.425 -11.193 1.00 31.30 C ATOM 1677 CD2 LEU A 98 -2.042 2.498 -10.020 1.00 30.13 C ATOM 0 H LEU A 98 -0.428 5.409 -11.463 1.00 12.53 H new ATOM 0 HA LEU A 98 -0.142 3.248 -11.817 1.00 72.34 H new ATOM 0 HB2 LEU A 98 -2.815 3.357 -13.258 1.00 22.02 H new ATOM 0 HB3 LEU A 98 -2.019 1.904 -12.688 1.00 22.02 H new ATOM 0 HG LEU A 98 -3.031 4.155 -10.921 1.00 21.34 H new ATOM 0 HD11 LEU A 98 -4.748 2.528 -10.229 1.00 31.30 H new ATOM 0 HD12 LEU A 98 -4.853 2.898 -11.967 1.00 31.30 H new ATOM 0 HD13 LEU A 98 -4.125 1.367 -11.426 1.00 31.30 H new ATOM 0 HD21 LEU A 98 -2.568 2.601 -9.071 1.00 30.13 H new ATOM 0 HD22 LEU A 98 -1.865 1.442 -10.225 1.00 30.13 H new ATOM 0 HD23 LEU A 98 -1.087 3.021 -9.965 1.00 30.13 H new ATOM 1689 N HIS A 99 1.132 3.574 -14.038 1.00 43.03 N ATOM 1690 CA HIS A 99 1.825 3.381 -15.306 1.00 74.22 C ATOM 1691 C HIS A 99 2.259 1.930 -15.462 1.00 64.34 C ATOM 1692 O HIS A 99 3.235 1.493 -14.851 1.00 31.13 O ATOM 1693 CB HIS A 99 3.052 4.298 -15.425 1.00 42.22 C ATOM 1694 CG HIS A 99 2.733 5.760 -15.575 1.00 72.51 C ATOM 1695 ND1 HIS A 99 2.597 6.381 -16.800 1.00 5.45 N ATOM 1696 CD2 HIS A 99 2.550 6.728 -14.644 1.00 75.02 C ATOM 1697 CE1 HIS A 99 2.349 7.666 -16.615 1.00 30.11 C ATOM 1698 NE2 HIS A 99 2.315 7.903 -15.316 1.00 13.41 N ATOM 0 H HIS A 99 1.739 3.813 -13.254 1.00 43.03 H new ATOM 0 HA HIS A 99 1.125 3.639 -16.100 1.00 74.22 H new ATOM 0 HB2 HIS A 99 3.675 4.165 -14.540 1.00 42.22 H new ATOM 0 HB3 HIS A 99 3.644 3.980 -16.283 1.00 42.22 H new ATOM 0 HD2 HIS A 99 2.583 6.599 -13.572 1.00 75.02 H new ATOM 0 HE1 HIS A 99 2.199 8.399 -17.394 1.00 30.11 H new ATOM 0 HE2 HIS A 99 2.142 8.810 -14.883 1.00 13.41 H new ATOM 1707 N ALA A 100 1.517 1.179 -16.264 1.00 12.14 N ATOM 1708 CA ALA A 100 1.864 -0.203 -16.541 1.00 61.34 C ATOM 1709 C ALA A 100 2.904 -0.253 -17.652 1.00 60.34 C ATOM 1710 O ALA A 100 2.572 -0.404 -18.831 1.00 15.55 O ATOM 1711 CB ALA A 100 0.629 -1.016 -16.910 1.00 50.24 C ATOM 0 H ALA A 100 0.672 1.506 -16.733 1.00 12.14 H new ATOM 0 HA ALA A 100 2.287 -0.648 -15.640 1.00 61.34 H new ATOM 0 HB1 ALA A 100 0.919 -2.047 -17.112 1.00 50.24 H new ATOM 0 HB2 ALA A 100 -0.081 -0.994 -16.083 1.00 50.24 H new ATOM 0 HB3 ALA A 100 0.164 -0.589 -17.799 1.00 50.24 H new ATOM 1717 N SER A 101 4.163 -0.109 -17.262 1.00 5.02 N ATOM 1718 CA SER A 101 5.264 0.004 -18.209 1.00 43.53 C ATOM 1719 C SER A 101 5.568 -1.330 -18.889 1.00 40.14 C ATOM 1720 O SER A 101 6.449 -1.412 -19.744 1.00 53.15 O ATOM 1721 CB SER A 101 6.505 0.529 -17.488 1.00 42.14 C ATOM 1722 OG SER A 101 6.219 1.738 -16.801 1.00 30.41 O ATOM 0 H SER A 101 4.449 -0.067 -16.284 1.00 5.02 H new ATOM 0 HA SER A 101 4.970 0.705 -18.990 1.00 43.53 H new ATOM 0 HB2 SER A 101 6.864 -0.219 -16.781 1.00 42.14 H new ATOM 0 HB3 SER A 101 7.306 0.696 -18.209 1.00 42.14 H new ATOM 0 HG SER A 101 7.027 2.055 -16.346 1.00 30.41 H new ATOM 1728 N VAL A 102 4.836 -2.370 -18.509 1.00 51.10 N ATOM 1729 CA VAL A 102 4.973 -3.678 -19.136 1.00 33.34 C ATOM 1730 C VAL A 102 4.549 -3.616 -20.604 1.00 55.55 C ATOM 1731 O VAL A 102 5.135 -4.276 -21.460 1.00 14.24 O ATOM 1732 CB VAL A 102 4.122 -4.747 -18.411 1.00 34.00 C ATOM 1733 CG1 VAL A 102 4.286 -6.112 -19.062 1.00 32.43 C ATOM 1734 CG2 VAL A 102 4.485 -4.822 -16.939 1.00 71.04 C ATOM 0 H VAL A 102 4.138 -2.332 -17.766 1.00 51.10 H new ATOM 0 HA VAL A 102 6.024 -3.960 -19.067 1.00 33.34 H new ATOM 0 HB VAL A 102 3.077 -4.449 -18.496 1.00 34.00 H new ATOM 0 HG11 VAL A 102 3.676 -6.844 -18.532 1.00 32.43 H new ATOM 0 HG12 VAL A 102 3.966 -6.060 -20.103 1.00 32.43 H new ATOM 0 HG13 VAL A 102 5.333 -6.412 -19.019 1.00 32.43 H new ATOM 0 HG21 VAL A 102 3.873 -5.581 -16.452 1.00 71.04 H new ATOM 0 HG22 VAL A 102 5.538 -5.085 -16.837 1.00 71.04 H new ATOM 0 HG23 VAL A 102 4.305 -3.855 -16.470 1.00 71.04 H new ATOM 1744 N LEU A 103 3.539 -2.802 -20.892 1.00 41.42 N ATOM 1745 CA LEU A 103 2.989 -2.721 -22.239 1.00 60.03 C ATOM 1746 C LEU A 103 3.294 -1.370 -22.883 1.00 11.05 C ATOM 1747 O LEU A 103 2.789 -1.060 -23.965 1.00 42.10 O ATOM 1748 CB LEU A 103 1.475 -2.956 -22.206 1.00 24.43 C ATOM 1749 CG LEU A 103 1.034 -4.300 -21.618 1.00 44.35 C ATOM 1750 CD1 LEU A 103 -0.482 -4.404 -21.615 1.00 11.54 C ATOM 1751 CD2 LEU A 103 1.649 -5.455 -22.396 1.00 22.03 C ATOM 0 H LEU A 103 3.086 -2.191 -20.212 1.00 41.42 H new ATOM 0 HA LEU A 103 3.461 -3.497 -22.841 1.00 60.03 H new ATOM 0 HB2 LEU A 103 1.012 -2.156 -21.628 1.00 24.43 H new ATOM 0 HB3 LEU A 103 1.090 -2.879 -23.223 1.00 24.43 H new ATOM 0 HG LEU A 103 1.387 -4.358 -20.588 1.00 44.35 H new ATOM 0 HD11 LEU A 103 -0.780 -5.364 -21.194 1.00 11.54 H new ATOM 0 HD12 LEU A 103 -0.901 -3.598 -21.012 1.00 11.54 H new ATOM 0 HD13 LEU A 103 -0.854 -4.324 -22.636 1.00 11.54 H new ATOM 0 HD21 LEU A 103 1.323 -6.400 -21.962 1.00 22.03 H new ATOM 0 HD22 LEU A 103 1.329 -5.404 -23.437 1.00 22.03 H new ATOM 0 HD23 LEU A 103 2.736 -5.389 -22.347 1.00 22.03 H new ATOM 1763 N GLU A 104 4.126 -0.573 -22.224 1.00 4.53 N ATOM 1764 CA GLU A 104 4.501 0.737 -22.743 1.00 21.00 C ATOM 1765 C GLU A 104 5.686 0.607 -23.691 1.00 32.14 C ATOM 1766 O GLU A 104 6.469 -0.337 -23.590 1.00 43.35 O ATOM 1767 CB GLU A 104 4.841 1.694 -21.598 1.00 43.41 C ATOM 1768 CG GLU A 104 3.651 2.024 -20.708 1.00 52.14 C ATOM 1769 CD GLU A 104 2.519 2.685 -21.466 1.00 71.14 C ATOM 1770 OE1 GLU A 104 2.572 3.914 -21.669 1.00 11.20 O ATOM 1771 OE2 GLU A 104 1.568 1.982 -21.866 1.00 1.42 O ATOM 0 H GLU A 104 4.554 -0.811 -21.329 1.00 4.53 H new ATOM 0 HA GLU A 104 3.653 1.146 -23.293 1.00 21.00 H new ATOM 0 HB2 GLU A 104 5.629 1.253 -20.988 1.00 43.41 H new ATOM 0 HB3 GLU A 104 5.240 2.619 -22.015 1.00 43.41 H new ATOM 0 HG2 GLU A 104 3.285 1.108 -20.243 1.00 52.14 H new ATOM 0 HG3 GLU A 104 3.977 2.682 -19.903 1.00 52.14 H new ATOM 1778 N HIS A 105 5.824 1.551 -24.609 1.00 0.11 N ATOM 1779 CA HIS A 105 6.866 1.459 -25.621 1.00 12.41 C ATOM 1780 C HIS A 105 7.697 2.736 -25.680 1.00 64.42 C ATOM 1781 O HIS A 105 7.179 3.816 -25.962 1.00 32.12 O ATOM 1782 CB HIS A 105 6.255 1.169 -26.996 1.00 0.10 C ATOM 1783 CG HIS A 105 7.273 0.841 -28.049 1.00 43.52 C ATOM 1784 ND1 HIS A 105 7.521 1.645 -29.141 1.00 4.24 N ATOM 1785 CD2 HIS A 105 8.102 -0.222 -28.172 1.00 1.04 C ATOM 1786 CE1 HIS A 105 8.457 1.089 -29.888 1.00 51.22 C ATOM 1787 NE2 HIS A 105 8.828 -0.042 -29.322 1.00 31.23 N ATOM 0 H HIS A 105 5.235 2.381 -24.675 1.00 0.11 H new ATOM 0 HA HIS A 105 7.525 0.636 -25.343 1.00 12.41 H new ATOM 0 HB2 HIS A 105 5.557 0.337 -26.906 1.00 0.10 H new ATOM 0 HB3 HIS A 105 5.678 2.036 -27.318 1.00 0.10 H new ATOM 0 HD2 HIS A 105 8.178 -1.057 -27.491 1.00 1.04 H new ATOM 0 HE1 HIS A 105 8.852 1.493 -30.808 1.00 51.22 H new ATOM 0 HE2 HIS A 105 9.539 -0.679 -29.681 1.00 31.23 H new ATOM 1796 N HIS A 106 8.988 2.601 -25.401 1.00 31.33 N ATOM 1797 CA HIS A 106 9.922 3.713 -25.542 1.00 2.23 C ATOM 1798 C HIS A 106 10.163 3.991 -27.023 1.00 71.13 C ATOM 1799 O HIS A 106 10.059 3.083 -27.848 1.00 22.31 O ATOM 1800 CB HIS A 106 11.247 3.409 -24.821 1.00 70.41 C ATOM 1801 CG HIS A 106 12.020 2.259 -25.396 1.00 63.11 C ATOM 1802 ND1 HIS A 106 11.826 0.950 -25.007 1.00 64.54 N ATOM 1803 CD2 HIS A 106 12.995 2.227 -26.335 1.00 64.01 C ATOM 1804 CE1 HIS A 106 12.645 0.166 -25.682 1.00 14.14 C ATOM 1805 NE2 HIS A 106 13.365 0.915 -26.496 1.00 50.44 N ATOM 0 H HIS A 106 9.413 1.733 -25.076 1.00 31.33 H new ATOM 0 HA HIS A 106 9.490 4.600 -25.079 1.00 2.23 H new ATOM 0 HB2 HIS A 106 11.873 4.301 -24.848 1.00 70.41 H new ATOM 0 HB3 HIS A 106 11.035 3.200 -23.772 1.00 70.41 H new ATOM 0 HD2 HIS A 106 13.406 3.077 -26.860 1.00 64.01 H new ATOM 0 HE1 HIS A 106 12.714 -0.907 -25.585 1.00 14.14 H new ATOM 0 HE2 HIS A 106 14.079 0.575 -27.139 1.00 50.44 H new ATOM 1814 N HIS A 107 10.484 5.229 -27.359 1.00 33.23 N ATOM 1815 CA HIS A 107 10.638 5.617 -28.758 1.00 43.13 C ATOM 1816 C HIS A 107 11.910 5.024 -29.351 1.00 53.42 C ATOM 1817 O HIS A 107 12.856 4.709 -28.625 1.00 74.32 O ATOM 1818 CB HIS A 107 10.668 7.141 -28.903 1.00 20.21 C ATOM 1819 CG HIS A 107 9.437 7.826 -28.391 1.00 24.22 C ATOM 1820 ND1 HIS A 107 9.481 8.933 -27.575 1.00 44.53 N ATOM 1821 CD2 HIS A 107 8.124 7.557 -28.583 1.00 1.44 C ATOM 1822 CE1 HIS A 107 8.254 9.314 -27.284 1.00 2.33 C ATOM 1823 NE2 HIS A 107 7.409 8.498 -27.884 1.00 65.31 N ATOM 0 H HIS A 107 10.643 5.982 -26.689 1.00 33.23 H new ATOM 0 HA HIS A 107 9.778 5.226 -29.302 1.00 43.13 H new ATOM 0 HB2 HIS A 107 11.536 7.529 -28.370 1.00 20.21 H new ATOM 0 HB3 HIS A 107 10.801 7.393 -29.955 1.00 20.21 H new ATOM 0 HD2 HIS A 107 7.715 6.752 -29.176 1.00 1.44 H new ATOM 0 HE1 HIS A 107 7.985 10.153 -26.659 1.00 2.33 H new ATOM 0 HE2 HIS A 107 6.392 8.556 -27.837 1.00 65.31 H new ATOM 1832 N HIS A 108 11.923 4.860 -30.668 1.00 32.00 N ATOM 1833 CA HIS A 108 13.109 4.383 -31.371 1.00 30.54 C ATOM 1834 C HIS A 108 14.176 5.469 -31.366 1.00 61.25 C ATOM 1835 O HIS A 108 15.373 5.181 -31.304 1.00 52.32 O ATOM 1836 CB HIS A 108 12.782 3.986 -32.815 1.00 23.22 C ATOM 1837 CG HIS A 108 11.834 2.829 -32.929 1.00 32.32 C ATOM 1838 ND1 HIS A 108 10.529 2.967 -33.348 1.00 34.21 N ATOM 1839 CD2 HIS A 108 12.010 1.507 -32.690 1.00 44.50 C ATOM 1840 CE1 HIS A 108 9.944 1.784 -33.360 1.00 20.32 C ATOM 1841 NE2 HIS A 108 10.819 0.882 -32.964 1.00 31.20 N ATOM 0 H HIS A 108 11.124 5.051 -31.273 1.00 32.00 H new ATOM 0 HA HIS A 108 13.478 3.498 -30.853 1.00 30.54 H new ATOM 0 HB2 HIS A 108 12.353 4.846 -33.329 1.00 23.22 H new ATOM 0 HB3 HIS A 108 13.709 3.735 -33.331 1.00 23.22 H new ATOM 0 HD2 HIS A 108 12.918 1.033 -32.348 1.00 44.50 H new ATOM 0 HE1 HIS A 108 8.921 1.588 -33.646 1.00 20.32 H new ATOM 0 HE2 HIS A 108 10.640 -0.118 -32.875 1.00 31.20 H new ATOM 1850 N HIS A 109 13.729 6.720 -31.441 1.00 71.33 N ATOM 1851 CA HIS A 109 14.623 7.863 -31.321 1.00 14.31 C ATOM 1852 C HIS A 109 15.118 7.966 -29.885 1.00 41.43 C ATOM 1853 O HIS A 109 14.325 8.143 -28.960 1.00 30.02 O ATOM 1854 CB HIS A 109 13.905 9.159 -31.732 1.00 61.43 C ATOM 1855 CG HIS A 109 14.786 10.376 -31.721 1.00 71.20 C ATOM 1856 ND1 HIS A 109 15.281 10.958 -32.869 1.00 12.10 N ATOM 1857 CD2 HIS A 109 15.254 11.125 -30.695 1.00 50.32 C ATOM 1858 CE1 HIS A 109 16.013 12.006 -32.549 1.00 70.22 C ATOM 1859 NE2 HIS A 109 16.015 12.130 -31.237 1.00 34.40 N ATOM 0 H HIS A 109 12.750 6.966 -31.585 1.00 71.33 H new ATOM 0 HA HIS A 109 15.473 7.722 -31.989 1.00 14.31 H new ATOM 0 HB2 HIS A 109 13.492 9.031 -32.732 1.00 61.43 H new ATOM 0 HB3 HIS A 109 13.064 9.326 -31.059 1.00 61.43 H new ATOM 0 HD2 HIS A 109 15.064 10.962 -29.645 1.00 50.32 H new ATOM 0 HE1 HIS A 109 16.525 12.654 -33.245 1.00 70.22 H new ATOM 0 HE2 HIS A 109 16.503 12.855 -30.710 1.00 34.40 H new ATOM 1868 N HIS A 110 16.422 7.851 -29.704 1.00 72.23 N ATOM 1869 CA HIS A 110 17.011 7.872 -28.377 1.00 52.25 C ATOM 1870 C HIS A 110 18.466 8.304 -28.468 1.00 30.11 C ATOM 1871 O HIS A 110 18.762 9.473 -28.162 1.00 38.20 O ATOM 1872 CB HIS A 110 16.912 6.487 -27.727 1.00 72.52 C ATOM 1873 CG HIS A 110 17.208 6.484 -26.257 1.00 12.35 C ATOM 1874 ND1 HIS A 110 16.234 6.298 -25.303 1.00 51.13 N ATOM 1875 CD2 HIS A 110 18.371 6.634 -25.580 1.00 0.13 C ATOM 1876 CE1 HIS A 110 16.780 6.334 -24.103 1.00 14.22 C ATOM 1877 NE2 HIS A 110 18.078 6.535 -24.242 1.00 54.12 N ATOM 1878 OXT HIS A 110 19.303 7.477 -28.870 1.00 38.20 O ATOM 0 H HIS A 110 17.095 7.742 -30.463 1.00 72.23 H new ATOM 0 HA HIS A 110 16.464 8.584 -27.759 1.00 52.25 H new ATOM 0 HB2 HIS A 110 15.909 6.092 -27.887 1.00 72.52 H new ATOM 0 HB3 HIS A 110 17.604 5.811 -28.229 1.00 72.52 H new ATOM 0 HD2 HIS A 110 19.347 6.800 -26.012 1.00 0.13 H new ATOM 0 HE1 HIS A 110 16.255 6.219 -23.166 1.00 14.22 H new ATOM 0 HE2 HIS A 110 18.753 6.605 -23.480 1.00 54.12 H new TER 1887 HIS A 110