USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 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 59 ASN :FLIP amide:sc= -0.364 F(o=-1.9,f=-0.43) USER MOD Set 1.2: A 65 SER OG : rot 120:sc= -0.0643 USER MOD Single : A 1 MET CE :methyl -115:sc= -0.127 (180deg=-0.813) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.065 K(o=-0.065,f=-0.86) USER MOD Single : A 7 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 13 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.81) USER MOD Single : A 14 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.015) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.15) USER MOD Single : A 21 SER OG : rot -69:sc= -0.399 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 23 TYR OH : rot 67:sc= 0.295 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -140:sc= -2.25! (180deg=-2.57!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= -0.0409 (180deg=-0.222) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 50 SER OG : rot -160:sc= -0.0537 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.17 K(o=-1.2,f=-6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0414) USER MOD Single : A 74 GLN : amide:sc= -1.12! C(o=-1.1!,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.545) USER MOD Single : A 76 GLN : amide:sc= -0.0204 K(o=-0.02,f=-0.65) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -131:sc= -0.76 (180deg=-2.66!) USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.13) USER MOD Single : A 96 TYR OH : rot 130:sc= 0.78 USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= -0.0134 (180deg=-0.118) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.530 -5.780 17.581 1.00 63.21 N ATOM 2 CA MET A 1 -9.669 -6.027 16.389 1.00 22.14 C ATOM 3 C MET A 1 -9.902 -7.441 15.826 1.00 32.32 C ATOM 4 O MET A 1 -9.642 -8.436 16.498 1.00 32.43 O ATOM 5 CB MET A 1 -8.189 -5.836 16.762 1.00 52.03 C ATOM 6 CG MET A 1 -7.230 -5.948 15.583 1.00 64.31 C ATOM 7 SD MET A 1 -5.519 -5.621 16.052 1.00 12.54 S ATOM 8 CE MET A 1 -4.681 -5.834 14.483 1.00 13.04 C ATOM 0 H1 MET A 1 -10.355 -4.821 17.943 1.00 63.21 H new ATOM 0 H2 MET A 1 -11.530 -5.872 17.312 1.00 63.21 H new ATOM 0 H3 MET A 1 -10.306 -6.475 18.321 1.00 63.21 H new ATOM 0 HA MET A 1 -9.936 -5.308 15.615 1.00 22.14 H new ATOM 0 HB2 MET A 1 -8.066 -4.857 17.225 1.00 52.03 H new ATOM 0 HB3 MET A 1 -7.915 -6.579 17.511 1.00 52.03 H new ATOM 0 HG2 MET A 1 -7.301 -6.948 15.154 1.00 64.31 H new ATOM 0 HG3 MET A 1 -7.531 -5.246 14.806 1.00 64.31 H new ATOM 0 HE1 MET A 1 -4.010 -6.691 14.542 1.00 13.04 H new ATOM 0 HE2 MET A 1 -5.417 -6.003 13.697 1.00 13.04 H new ATOM 0 HE3 MET A 1 -4.105 -4.937 14.253 1.00 13.04 H new ATOM 20 N ASP A 2 -10.412 -7.524 14.596 1.00 41.25 N ATOM 21 CA ASP A 2 -10.705 -8.816 13.953 1.00 30.02 C ATOM 22 C ASP A 2 -9.433 -9.542 13.487 1.00 13.41 C ATOM 23 O ASP A 2 -8.404 -8.912 13.229 1.00 23.52 O ATOM 24 CB ASP A 2 -11.616 -8.594 12.741 1.00 22.32 C ATOM 25 CG ASP A 2 -12.925 -7.927 13.108 1.00 71.30 C ATOM 26 OD1 ASP A 2 -12.949 -6.686 13.231 1.00 43.30 O ATOM 27 OD2 ASP A 2 -13.934 -8.639 13.285 1.00 34.44 O ATOM 0 H ASP A 2 -10.633 -6.712 14.020 1.00 41.25 H new ATOM 0 HA ASP A 2 -11.196 -9.440 14.700 1.00 30.02 H new ATOM 0 HB2 ASP A 2 -11.094 -7.981 12.007 1.00 22.32 H new ATOM 0 HB3 ASP A 2 -11.822 -9.553 12.266 1.00 22.32 H new ATOM 32 N GLN A 3 -9.523 -10.869 13.357 1.00 21.44 N ATOM 33 CA GLN A 3 -8.440 -11.669 12.770 1.00 14.30 C ATOM 34 C GLN A 3 -8.105 -11.182 11.356 1.00 14.22 C ATOM 35 O GLN A 3 -6.944 -11.181 10.951 1.00 63.53 O ATOM 36 CB GLN A 3 -8.819 -13.158 12.752 1.00 54.34 C ATOM 37 CG GLN A 3 -8.600 -13.860 14.088 1.00 12.23 C ATOM 38 CD GLN A 3 -7.123 -14.048 14.409 1.00 21.11 C ATOM 39 OE1 GLN A 3 -6.299 -14.251 13.519 1.00 45.13 O ATOM 40 NE2 GLN A 3 -6.775 -13.961 15.674 1.00 4.33 N ATOM 0 H GLN A 3 -10.334 -11.413 13.650 1.00 21.44 H new ATOM 0 HA GLN A 3 -7.552 -11.545 13.390 1.00 14.30 H new ATOM 0 HB2 GLN A 3 -9.867 -13.254 12.468 1.00 54.34 H new ATOM 0 HB3 GLN A 3 -8.233 -13.664 11.985 1.00 54.34 H new ATOM 0 HG2 GLN A 3 -9.071 -13.280 14.882 1.00 12.23 H new ATOM 0 HG3 GLN A 3 -9.092 -14.833 14.069 1.00 12.23 H new ATOM 0 HE21 GLN A 3 -7.484 -13.792 16.388 1.00 4.33 H new ATOM 0 HE22 GLN A 3 -5.796 -14.063 15.942 1.00 4.33 H new ATOM 49 N PHE A 4 -9.131 -10.753 10.620 1.00 41.12 N ATOM 50 CA PHE A 4 -8.939 -10.118 9.313 1.00 35.32 C ATOM 51 C PHE A 4 -7.900 -8.992 9.405 1.00 51.04 C ATOM 52 O PHE A 4 -6.930 -8.960 8.647 1.00 53.40 O ATOM 53 CB PHE A 4 -10.277 -9.566 8.791 1.00 42.31 C ATOM 54 CG PHE A 4 -10.148 -8.728 7.539 1.00 62.51 C ATOM 55 CD1 PHE A 4 -9.810 -9.315 6.328 1.00 24.42 C ATOM 56 CD2 PHE A 4 -10.353 -7.354 7.577 1.00 64.42 C ATOM 57 CE1 PHE A 4 -9.682 -8.552 5.183 1.00 3.31 C ATOM 58 CE2 PHE A 4 -10.227 -6.588 6.433 1.00 23.31 C ATOM 59 CZ PHE A 4 -9.889 -7.188 5.237 1.00 64.22 C ATOM 0 H PHE A 4 -10.107 -10.834 10.907 1.00 41.12 H new ATOM 0 HA PHE A 4 -8.570 -10.869 8.615 1.00 35.32 H new ATOM 0 HB2 PHE A 4 -10.949 -10.400 8.590 1.00 42.31 H new ATOM 0 HB3 PHE A 4 -10.740 -8.964 9.573 1.00 42.31 H new ATOM 0 HD1 PHE A 4 -9.645 -10.381 6.280 1.00 24.42 H new ATOM 0 HD2 PHE A 4 -10.614 -6.879 8.511 1.00 64.42 H new ATOM 0 HE1 PHE A 4 -9.420 -9.022 4.247 1.00 3.31 H new ATOM 0 HE2 PHE A 4 -10.393 -5.522 6.475 1.00 23.31 H new ATOM 0 HZ PHE A 4 -9.786 -6.591 4.343 1.00 64.22 H new ATOM 69 N LEU A 5 -8.106 -8.086 10.360 1.00 14.12 N ATOM 70 CA LEU A 5 -7.178 -6.977 10.597 1.00 21.34 C ATOM 71 C LEU A 5 -5.789 -7.499 10.994 1.00 53.12 C ATOM 72 O LEU A 5 -4.775 -7.044 10.472 1.00 64.32 O ATOM 73 CB LEU A 5 -7.722 -6.054 11.699 1.00 30.43 C ATOM 74 CG LEU A 5 -9.128 -5.483 11.445 1.00 30.24 C ATOM 75 CD1 LEU A 5 -9.576 -4.612 12.615 1.00 4.40 C ATOM 76 CD2 LEU A 5 -9.170 -4.695 10.135 1.00 40.41 C ATOM 0 H LEU A 5 -8.911 -8.097 10.986 1.00 14.12 H new ATOM 0 HA LEU A 5 -7.083 -6.412 9.670 1.00 21.34 H new ATOM 0 HB2 LEU A 5 -7.737 -6.607 12.638 1.00 30.43 H new ATOM 0 HB3 LEU A 5 -7.029 -5.223 11.829 1.00 30.43 H new ATOM 0 HG LEU A 5 -9.821 -6.319 11.357 1.00 30.24 H new ATOM 0 HD11 LEU A 5 -10.573 -4.218 12.415 1.00 4.40 H new ATOM 0 HD12 LEU A 5 -9.598 -5.210 13.526 1.00 4.40 H new ATOM 0 HD13 LEU A 5 -8.878 -3.785 12.741 1.00 4.40 H new ATOM 0 HD21 LEU A 5 -10.175 -4.302 9.979 1.00 40.41 H new ATOM 0 HD22 LEU A 5 -8.461 -3.869 10.185 1.00 40.41 H new ATOM 0 HD23 LEU A 5 -8.905 -5.352 9.307 1.00 40.41 H new ATOM 88 N VAL A 6 -5.759 -8.466 11.911 1.00 41.41 N ATOM 89 CA VAL A 6 -4.495 -9.051 12.386 1.00 65.20 C ATOM 90 C VAL A 6 -3.665 -9.632 11.229 1.00 3.22 C ATOM 91 O VAL A 6 -2.469 -9.363 11.116 1.00 50.42 O ATOM 92 CB VAL A 6 -4.745 -10.164 13.440 1.00 41.12 C ATOM 93 CG1 VAL A 6 -3.428 -10.778 13.924 1.00 11.23 C ATOM 94 CG2 VAL A 6 -5.554 -9.620 14.616 1.00 10.42 C ATOM 0 H VAL A 6 -6.593 -8.864 12.343 1.00 41.41 H new ATOM 0 HA VAL A 6 -3.935 -8.238 12.848 1.00 65.20 H new ATOM 0 HB VAL A 6 -5.323 -10.954 12.961 1.00 41.12 H new ATOM 0 HG11 VAL A 6 -3.637 -11.554 14.661 1.00 11.23 H new ATOM 0 HG12 VAL A 6 -2.898 -11.215 13.078 1.00 11.23 H new ATOM 0 HG13 VAL A 6 -2.811 -10.003 14.378 1.00 11.23 H new ATOM 0 HG21 VAL A 6 -5.718 -10.415 15.343 1.00 10.42 H new ATOM 0 HG22 VAL A 6 -5.006 -8.804 15.088 1.00 10.42 H new ATOM 0 HG23 VAL A 6 -6.515 -9.252 14.257 1.00 10.42 H new ATOM 104 N GLN A 7 -4.309 -10.418 10.368 1.00 10.55 N ATOM 105 CA GLN A 7 -3.619 -11.071 9.251 1.00 1.42 C ATOM 106 C GLN A 7 -3.103 -10.055 8.217 1.00 11.13 C ATOM 107 O GLN A 7 -1.908 -10.024 7.911 1.00 35.21 O ATOM 108 CB GLN A 7 -4.545 -12.089 8.566 1.00 24.44 C ATOM 109 CG GLN A 7 -5.034 -13.212 9.483 1.00 74.42 C ATOM 110 CD GLN A 7 -3.902 -13.956 10.168 1.00 61.33 C ATOM 111 OE1 GLN A 7 -3.361 -14.922 9.638 1.00 12.52 O ATOM 112 NE2 GLN A 7 -3.546 -13.527 11.363 1.00 72.51 N ATOM 0 H GLN A 7 -5.307 -10.620 10.420 1.00 10.55 H new ATOM 0 HA GLN A 7 -2.756 -11.590 9.667 1.00 1.42 H new ATOM 0 HB2 GLN A 7 -5.410 -11.562 8.163 1.00 24.44 H new ATOM 0 HB3 GLN A 7 -4.018 -12.530 7.720 1.00 24.44 H new ATOM 0 HG2 GLN A 7 -5.696 -12.792 10.241 1.00 74.42 H new ATOM 0 HG3 GLN A 7 -5.625 -13.918 8.900 1.00 74.42 H new ATOM 0 HE21 GLN A 7 -4.015 -12.721 11.776 1.00 72.51 H new ATOM 0 HE22 GLN A 7 -2.801 -14.001 11.874 1.00 72.51 H new ATOM 121 N ILE A 8 -3.999 -9.219 7.688 1.00 11.43 N ATOM 122 CA ILE A 8 -3.620 -8.250 6.652 1.00 71.02 C ATOM 123 C ILE A 8 -2.525 -7.288 7.143 1.00 25.10 C ATOM 124 O ILE A 8 -1.575 -6.998 6.416 1.00 32.15 O ATOM 125 CB ILE A 8 -4.840 -7.440 6.132 1.00 52.32 C ATOM 126 CG1 ILE A 8 -5.472 -6.599 7.257 1.00 13.24 C ATOM 127 CG2 ILE A 8 -5.877 -8.375 5.509 1.00 33.51 C ATOM 128 CD1 ILE A 8 -6.630 -5.731 6.802 1.00 43.21 C ATOM 0 H ILE A 8 -4.983 -9.191 7.955 1.00 11.43 H new ATOM 0 HA ILE A 8 -3.222 -8.835 5.823 1.00 71.02 H new ATOM 0 HB ILE A 8 -4.485 -6.754 5.363 1.00 52.32 H new ATOM 0 HG12 ILE A 8 -5.820 -7.267 8.045 1.00 13.24 H new ATOM 0 HG13 ILE A 8 -4.704 -5.962 7.696 1.00 13.24 H new ATOM 0 HG21 ILE A 8 -6.724 -7.791 5.150 1.00 33.51 H new ATOM 0 HG22 ILE A 8 -5.427 -8.913 4.674 1.00 33.51 H new ATOM 0 HG23 ILE A 8 -6.220 -9.089 6.258 1.00 33.51 H new ATOM 0 HD11 ILE A 8 -7.020 -5.170 7.651 1.00 43.21 H new ATOM 0 HD12 ILE A 8 -6.285 -5.036 6.036 1.00 43.21 H new ATOM 0 HD13 ILE A 8 -7.418 -6.362 6.391 1.00 43.21 H new ATOM 140 N PHE A 9 -2.647 -6.814 8.386 1.00 61.15 N ATOM 141 CA PHE A 9 -1.643 -5.914 8.964 1.00 34.35 C ATOM 142 C PHE A 9 -0.296 -6.629 9.141 1.00 20.41 C ATOM 143 O PHE A 9 0.751 -6.087 8.784 1.00 52.15 O ATOM 144 CB PHE A 9 -2.124 -5.344 10.309 1.00 12.44 C ATOM 145 CG PHE A 9 -3.344 -4.447 10.214 1.00 52.12 C ATOM 146 CD1 PHE A 9 -3.807 -3.984 8.986 1.00 4.12 C ATOM 147 CD2 PHE A 9 -4.021 -4.059 11.362 1.00 71.24 C ATOM 148 CE1 PHE A 9 -4.916 -3.159 8.911 1.00 43.22 C ATOM 149 CE2 PHE A 9 -5.130 -3.235 11.289 1.00 1.55 C ATOM 150 CZ PHE A 9 -5.577 -2.784 10.063 1.00 23.42 C ATOM 0 H PHE A 9 -3.424 -7.036 9.008 1.00 61.15 H new ATOM 0 HA PHE A 9 -1.503 -5.087 8.268 1.00 34.35 H new ATOM 0 HB2 PHE A 9 -2.350 -6.173 10.980 1.00 12.44 H new ATOM 0 HB3 PHE A 9 -1.309 -4.780 10.762 1.00 12.44 H new ATOM 0 HD1 PHE A 9 -3.295 -4.272 8.080 1.00 4.12 H new ATOM 0 HD2 PHE A 9 -3.677 -4.405 12.326 1.00 71.24 H new ATOM 0 HE1 PHE A 9 -5.264 -2.809 7.951 1.00 43.22 H new ATOM 0 HE2 PHE A 9 -5.647 -2.944 12.192 1.00 1.55 H new ATOM 0 HZ PHE A 9 -6.442 -2.139 10.006 1.00 23.42 H new ATOM 160 N ALA A 10 -0.329 -7.850 9.679 1.00 43.54 N ATOM 161 CA ALA A 10 0.888 -8.652 9.872 1.00 41.24 C ATOM 162 C ALA A 10 1.672 -8.818 8.560 1.00 43.54 C ATOM 163 O ALA A 10 2.904 -8.825 8.550 1.00 71.45 O ATOM 164 CB ALA A 10 0.533 -10.017 10.455 1.00 13.01 C ATOM 0 H ALA A 10 -1.185 -8.308 9.990 1.00 43.54 H new ATOM 0 HA ALA A 10 1.529 -8.120 10.574 1.00 41.24 H new ATOM 0 HB1 ALA A 10 1.443 -10.601 10.593 1.00 13.01 H new ATOM 0 HB2 ALA A 10 0.037 -9.884 11.417 1.00 13.01 H new ATOM 0 HB3 ALA A 10 -0.135 -10.542 9.772 1.00 13.01 H new ATOM 170 N VAL A 11 0.946 -8.948 7.451 1.00 14.01 N ATOM 171 CA VAL A 11 1.565 -9.018 6.125 1.00 63.23 C ATOM 172 C VAL A 11 2.201 -7.670 5.742 1.00 5.24 C ATOM 173 O VAL A 11 3.346 -7.616 5.288 1.00 50.12 O ATOM 174 CB VAL A 11 0.531 -9.429 5.044 1.00 51.23 C ATOM 175 CG1 VAL A 11 1.185 -9.490 3.667 1.00 2.25 C ATOM 176 CG2 VAL A 11 -0.118 -10.768 5.397 1.00 42.01 C ATOM 0 H VAL A 11 -0.072 -9.007 7.443 1.00 14.01 H new ATOM 0 HA VAL A 11 2.345 -9.778 6.172 1.00 63.23 H new ATOM 0 HB VAL A 11 -0.251 -8.670 5.015 1.00 51.23 H new ATOM 0 HG11 VAL A 11 0.442 -9.780 2.924 1.00 2.25 H new ATOM 0 HG12 VAL A 11 1.589 -8.510 3.413 1.00 2.25 H new ATOM 0 HG13 VAL A 11 1.991 -10.223 3.679 1.00 2.25 H new ATOM 0 HG21 VAL A 11 -0.840 -11.037 4.626 1.00 42.01 H new ATOM 0 HG22 VAL A 11 0.650 -11.539 5.460 1.00 42.01 H new ATOM 0 HG23 VAL A 11 -0.627 -10.684 6.357 1.00 42.01 H new ATOM 186 N ILE A 12 1.460 -6.585 5.959 1.00 14.52 N ATOM 187 CA ILE A 12 1.927 -5.233 5.619 1.00 15.43 C ATOM 188 C ILE A 12 3.158 -4.815 6.453 1.00 31.34 C ATOM 189 O ILE A 12 4.039 -4.108 5.959 1.00 22.13 O ATOM 190 CB ILE A 12 0.791 -4.193 5.795 1.00 14.04 C ATOM 191 CG1 ILE A 12 -0.409 -4.569 4.906 1.00 12.40 C ATOM 192 CG2 ILE A 12 1.283 -2.780 5.467 1.00 64.12 C ATOM 193 CD1 ILE A 12 -1.630 -3.699 5.118 1.00 30.25 C ATOM 0 H ILE A 12 0.527 -6.612 6.371 1.00 14.52 H new ATOM 0 HA ILE A 12 2.227 -5.259 4.571 1.00 15.43 H new ATOM 0 HB ILE A 12 0.474 -4.202 6.838 1.00 14.04 H new ATOM 0 HG12 ILE A 12 -0.107 -4.505 3.861 1.00 12.40 H new ATOM 0 HG13 ILE A 12 -0.678 -5.608 5.097 1.00 12.40 H new ATOM 0 HG21 ILE A 12 0.466 -2.071 5.599 1.00 64.12 H new ATOM 0 HG22 ILE A 12 2.104 -2.516 6.134 1.00 64.12 H new ATOM 0 HG23 ILE A 12 1.630 -2.746 4.434 1.00 64.12 H new ATOM 0 HD11 ILE A 12 -2.431 -4.028 4.455 1.00 30.25 H new ATOM 0 HD12 ILE A 12 -1.960 -3.781 6.154 1.00 30.25 H new ATOM 0 HD13 ILE A 12 -1.380 -2.661 4.898 1.00 30.25 H new ATOM 205 N HIS A 13 3.224 -5.262 7.712 1.00 53.20 N ATOM 206 CA HIS A 13 4.392 -4.995 8.572 1.00 23.23 C ATOM 207 C HIS A 13 5.693 -5.524 7.941 1.00 43.22 C ATOM 208 O HIS A 13 6.784 -5.027 8.229 1.00 0.34 O ATOM 209 CB HIS A 13 4.213 -5.641 9.959 1.00 63.45 C ATOM 210 CG HIS A 13 3.288 -4.904 10.882 1.00 40.14 C ATOM 211 ND1 HIS A 13 3.646 -3.702 11.442 1.00 34.14 N ATOM 212 CD2 HIS A 13 2.066 -5.257 11.347 1.00 44.42 C ATOM 213 CE1 HIS A 13 2.645 -3.355 12.231 1.00 73.54 C ATOM 214 NE2 HIS A 13 1.663 -4.267 12.207 1.00 31.33 N ATOM 0 H HIS A 13 2.488 -5.808 8.160 1.00 53.20 H new ATOM 0 HA HIS A 13 4.464 -3.913 8.678 1.00 23.23 H new ATOM 0 HB2 HIS A 13 3.838 -6.656 9.826 1.00 63.45 H new ATOM 0 HB3 HIS A 13 5.190 -5.722 10.435 1.00 63.45 H new ATOM 0 HD2 HIS A 13 1.514 -6.149 11.090 1.00 44.42 H new ATOM 0 HE1 HIS A 13 2.621 -2.451 12.821 1.00 73.54 H new ATOM 0 HE2 HIS A 13 0.786 -4.232 12.727 1.00 31.33 H new ATOM 222 N GLN A 14 5.566 -6.530 7.079 1.00 44.33 N ATOM 223 CA GLN A 14 6.728 -7.205 6.489 1.00 63.13 C ATOM 224 C GLN A 14 7.205 -6.543 5.182 1.00 55.34 C ATOM 225 O GLN A 14 8.186 -6.988 4.581 1.00 11.34 O ATOM 226 CB GLN A 14 6.385 -8.683 6.245 1.00 3.21 C ATOM 227 CG GLN A 14 6.112 -9.465 7.526 1.00 64.11 C ATOM 228 CD GLN A 14 5.584 -10.864 7.261 1.00 31.21 C ATOM 229 OE1 GLN A 14 6.348 -11.807 7.088 1.00 50.15 O ATOM 230 NE2 GLN A 14 4.274 -11.010 7.247 1.00 2.21 N ATOM 0 H GLN A 14 4.667 -6.900 6.770 1.00 44.33 H new ATOM 0 HA GLN A 14 7.553 -7.121 7.197 1.00 63.13 H new ATOM 0 HB2 GLN A 14 5.509 -8.742 5.599 1.00 3.21 H new ATOM 0 HB3 GLN A 14 7.209 -9.155 5.709 1.00 3.21 H new ATOM 0 HG2 GLN A 14 7.031 -9.533 8.108 1.00 64.11 H new ATOM 0 HG3 GLN A 14 5.390 -8.918 8.133 1.00 64.11 H new ATOM 0 HE21 GLN A 14 3.669 -10.202 7.395 1.00 2.21 H new ATOM 0 HE22 GLN A 14 3.865 -11.931 7.088 1.00 2.21 H new ATOM 239 N ILE A 15 6.521 -5.482 4.746 1.00 12.54 N ATOM 240 CA ILE A 15 6.902 -4.771 3.516 1.00 30.42 C ATOM 241 C ILE A 15 8.130 -3.862 3.752 1.00 20.22 C ATOM 242 O ILE A 15 8.081 -2.935 4.565 1.00 60.41 O ATOM 243 CB ILE A 15 5.731 -3.917 2.961 1.00 51.33 C ATOM 244 CG1 ILE A 15 4.468 -4.779 2.780 1.00 11.40 C ATOM 245 CG2 ILE A 15 6.123 -3.263 1.635 1.00 72.32 C ATOM 246 CD1 ILE A 15 3.265 -4.008 2.268 1.00 14.32 C ATOM 0 H ILE A 15 5.705 -5.096 5.221 1.00 12.54 H new ATOM 0 HA ILE A 15 7.157 -5.534 2.781 1.00 30.42 H new ATOM 0 HB ILE A 15 5.511 -3.131 3.683 1.00 51.33 H new ATOM 0 HG12 ILE A 15 4.690 -5.590 2.086 1.00 11.40 H new ATOM 0 HG13 ILE A 15 4.213 -5.238 3.735 1.00 11.40 H new ATOM 0 HG21 ILE A 15 5.289 -2.669 1.262 1.00 72.32 H new ATOM 0 HG22 ILE A 15 6.988 -2.618 1.789 1.00 72.32 H new ATOM 0 HG23 ILE A 15 6.372 -4.036 0.908 1.00 72.32 H new ATOM 0 HD11 ILE A 15 2.416 -4.684 2.167 1.00 14.32 H new ATOM 0 HD12 ILE A 15 3.015 -3.214 2.972 1.00 14.32 H new ATOM 0 HD13 ILE A 15 3.499 -3.571 1.297 1.00 14.32 H new ATOM 258 N PRO A 16 9.249 -4.116 3.042 1.00 21.44 N ATOM 259 CA PRO A 16 10.507 -3.372 3.236 1.00 50.23 C ATOM 260 C PRO A 16 10.535 -1.997 2.539 1.00 62.44 C ATOM 261 O PRO A 16 9.523 -1.518 2.017 1.00 30.35 O ATOM 262 CB PRO A 16 11.544 -4.308 2.608 1.00 13.21 C ATOM 263 CG PRO A 16 10.802 -4.984 1.506 1.00 54.33 C ATOM 264 CD PRO A 16 9.384 -5.153 1.999 1.00 30.22 C ATOM 0 HA PRO A 16 10.674 -3.135 4.287 1.00 50.23 H new ATOM 0 HB2 PRO A 16 12.403 -3.754 2.229 1.00 13.21 H new ATOM 0 HB3 PRO A 16 11.923 -5.028 3.334 1.00 13.21 H new ATOM 0 HG2 PRO A 16 10.829 -4.387 0.594 1.00 54.33 H new ATOM 0 HG3 PRO A 16 11.250 -5.949 1.269 1.00 54.33 H new ATOM 0 HD2 PRO A 16 8.661 -5.009 1.196 1.00 30.22 H new ATOM 0 HD3 PRO A 16 9.217 -6.151 2.403 1.00 30.22 H new ATOM 272 N LYS A 17 11.705 -1.361 2.550 1.00 0.21 N ATOM 273 CA LYS A 17 11.911 -0.061 1.918 1.00 12.32 C ATOM 274 C LYS A 17 11.936 -0.160 0.383 1.00 54.04 C ATOM 275 O LYS A 17 12.485 -1.106 -0.181 1.00 10.02 O ATOM 276 CB LYS A 17 13.225 0.516 2.441 1.00 71.03 C ATOM 277 CG LYS A 17 13.694 1.780 1.743 1.00 3.32 C ATOM 278 CD LYS A 17 15.027 2.231 2.312 1.00 21.13 C ATOM 279 CE LYS A 17 14.881 2.797 3.719 1.00 53.14 C ATOM 280 NZ LYS A 17 16.189 3.216 4.284 1.00 72.41 N ATOM 0 H LYS A 17 12.540 -1.736 3.000 1.00 0.21 H new ATOM 0 HA LYS A 17 11.077 0.593 2.170 1.00 12.32 H new ATOM 0 HB2 LYS A 17 13.114 0.726 3.505 1.00 71.03 H new ATOM 0 HB3 LYS A 17 14.001 -0.243 2.345 1.00 71.03 H new ATOM 0 HG2 LYS A 17 13.790 1.598 0.673 1.00 3.32 H new ATOM 0 HG3 LYS A 17 12.952 2.569 1.867 1.00 3.32 H new ATOM 0 HD2 LYS A 17 15.718 1.388 2.329 1.00 21.13 H new ATOM 0 HD3 LYS A 17 15.463 2.988 1.660 1.00 21.13 H new ATOM 0 HE2 LYS A 17 14.204 3.651 3.699 1.00 53.14 H new ATOM 0 HE3 LYS A 17 14.429 2.047 4.367 1.00 53.14 H new ATOM 0 HZ1 LYS A 17 16.048 3.595 5.242 1.00 72.41 H new ATOM 0 HZ2 LYS A 17 16.827 2.396 4.327 1.00 72.41 H new ATOM 0 HZ3 LYS A 17 16.609 3.950 3.679 1.00 72.41 H new ATOM 294 N GLY A 18 11.330 0.823 -0.283 1.00 44.44 N ATOM 295 CA GLY A 18 11.316 0.852 -1.746 1.00 62.14 C ATOM 296 C GLY A 18 10.408 -0.204 -2.375 1.00 2.44 C ATOM 297 O GLY A 18 10.513 -0.488 -3.567 1.00 12.44 O ATOM 0 H GLY A 18 10.846 1.603 0.162 1.00 44.44 H new ATOM 0 HA2 GLY A 18 10.994 1.839 -2.077 1.00 62.14 H new ATOM 0 HA3 GLY A 18 12.332 0.709 -2.113 1.00 62.14 H new ATOM 301 N LYS A 19 9.518 -0.791 -1.574 1.00 71.44 N ATOM 302 CA LYS A 19 8.578 -1.804 -2.067 1.00 33.33 C ATOM 303 C LYS A 19 7.128 -1.494 -1.661 1.00 21.10 C ATOM 304 O LYS A 19 6.866 -0.990 -0.567 1.00 13.25 O ATOM 305 CB LYS A 19 8.986 -3.199 -1.563 1.00 0.11 C ATOM 306 CG LYS A 19 10.245 -3.757 -2.228 1.00 70.33 C ATOM 307 CD LYS A 19 10.072 -3.864 -3.743 1.00 40.54 C ATOM 308 CE LYS A 19 11.229 -4.599 -4.413 1.00 10.22 C ATOM 309 NZ LYS A 19 10.994 -4.789 -5.872 1.00 40.52 N ATOM 0 H LYS A 19 9.427 -0.583 -0.580 1.00 71.44 H new ATOM 0 HA LYS A 19 8.622 -1.787 -3.156 1.00 33.33 H new ATOM 0 HB2 LYS A 19 9.147 -3.152 -0.486 1.00 0.11 H new ATOM 0 HB3 LYS A 19 8.161 -3.891 -1.732 1.00 0.11 H new ATOM 0 HG2 LYS A 19 11.095 -3.113 -2.001 1.00 70.33 H new ATOM 0 HG3 LYS A 19 10.472 -4.740 -1.815 1.00 70.33 H new ATOM 0 HD2 LYS A 19 9.140 -4.384 -3.963 1.00 40.54 H new ATOM 0 HD3 LYS A 19 9.987 -2.864 -4.167 1.00 40.54 H new ATOM 0 HE2 LYS A 19 12.151 -4.038 -4.264 1.00 10.22 H new ATOM 0 HE3 LYS A 19 11.366 -5.570 -3.938 1.00 10.22 H new ATOM 0 HZ1 LYS A 19 11.723 -5.421 -6.262 1.00 40.52 H new ATOM 0 HZ2 LYS A 19 10.055 -5.211 -6.020 1.00 40.52 H new ATOM 0 HZ3 LYS A 19 11.040 -3.868 -6.354 1.00 40.52 H new ATOM 323 N VAL A 20 6.197 -1.805 -2.560 1.00 75.34 N ATOM 324 CA VAL A 20 4.764 -1.581 -2.341 1.00 5.30 C ATOM 325 C VAL A 20 3.953 -2.836 -2.713 1.00 54.50 C ATOM 326 O VAL A 20 4.471 -3.761 -3.345 1.00 34.43 O ATOM 327 CB VAL A 20 4.245 -0.376 -3.177 1.00 54.30 C ATOM 328 CG1 VAL A 20 4.982 0.912 -2.804 1.00 13.51 C ATOM 329 CG2 VAL A 20 4.370 -0.657 -4.676 1.00 55.41 C ATOM 0 H VAL A 20 6.413 -2.221 -3.466 1.00 75.34 H new ATOM 0 HA VAL A 20 4.631 -1.361 -1.282 1.00 5.30 H new ATOM 0 HB VAL A 20 3.189 -0.239 -2.943 1.00 54.30 H new ATOM 0 HG11 VAL A 20 4.599 1.737 -3.404 1.00 13.51 H new ATOM 0 HG12 VAL A 20 4.825 1.128 -1.747 1.00 13.51 H new ATOM 0 HG13 VAL A 20 6.048 0.789 -2.995 1.00 13.51 H new ATOM 0 HG21 VAL A 20 4.001 0.200 -5.239 1.00 55.41 H new ATOM 0 HG22 VAL A 20 5.416 -0.833 -4.927 1.00 55.41 H new ATOM 0 HG23 VAL A 20 3.782 -1.539 -4.931 1.00 55.41 H new ATOM 339 N SER A 21 2.681 -2.862 -2.330 1.00 23.24 N ATOM 340 CA SER A 21 1.801 -4.005 -2.621 1.00 11.31 C ATOM 341 C SER A 21 0.397 -3.537 -3.030 1.00 24.35 C ATOM 342 O SER A 21 0.125 -2.335 -3.101 1.00 2.34 O ATOM 343 CB SER A 21 1.703 -4.921 -1.396 1.00 63.40 C ATOM 344 OG SER A 21 1.127 -4.240 -0.293 1.00 45.03 O ATOM 0 H SER A 21 2.229 -2.106 -1.816 1.00 23.24 H new ATOM 0 HA SER A 21 2.235 -4.557 -3.455 1.00 11.31 H new ATOM 0 HB2 SER A 21 1.102 -5.797 -1.640 1.00 63.40 H new ATOM 0 HB3 SER A 21 2.696 -5.281 -1.127 1.00 63.40 H new ATOM 0 HG SER A 21 1.750 -3.556 0.031 1.00 45.03 H new ATOM 350 N THR A 22 -0.499 -4.488 -3.312 1.00 1.13 N ATOM 351 CA THR A 22 -1.879 -4.158 -3.698 1.00 50.05 C ATOM 352 C THR A 22 -2.895 -4.751 -2.715 1.00 14.33 C ATOM 353 O THR A 22 -2.658 -5.799 -2.111 1.00 31.52 O ATOM 354 CB THR A 22 -2.222 -4.659 -5.124 1.00 2.32 C ATOM 355 OG1 THR A 22 -2.244 -6.095 -5.159 1.00 64.31 O ATOM 356 CG2 THR A 22 -1.217 -4.139 -6.149 1.00 55.45 C ATOM 0 H THR A 22 -0.298 -5.487 -3.281 1.00 1.13 H new ATOM 0 HA THR A 22 -1.942 -3.070 -3.679 1.00 50.05 H new ATOM 0 HB THR A 22 -3.210 -4.275 -5.380 1.00 2.32 H new ATOM 0 HG1 THR A 22 -2.464 -6.397 -6.065 1.00 64.31 H new ATOM 0 HG21 THR A 22 -1.484 -4.507 -7.140 1.00 55.45 H new ATOM 0 HG22 THR A 22 -1.230 -3.049 -6.151 1.00 55.45 H new ATOM 0 HG23 THR A 22 -0.218 -4.489 -5.889 1.00 55.45 H new ATOM 364 N TYR A 23 -4.038 -4.078 -2.562 1.00 10.11 N ATOM 365 CA TYR A 23 -5.101 -4.539 -1.655 1.00 50.24 C ATOM 366 C TYR A 23 -5.523 -5.988 -1.957 1.00 72.51 C ATOM 367 O TYR A 23 -5.783 -6.778 -1.046 1.00 23.44 O ATOM 368 CB TYR A 23 -6.322 -3.610 -1.751 1.00 3.41 C ATOM 369 CG TYR A 23 -6.020 -2.163 -1.409 1.00 41.24 C ATOM 370 CD1 TYR A 23 -5.494 -1.818 -0.170 1.00 11.34 C ATOM 371 CD2 TYR A 23 -6.247 -1.141 -2.330 1.00 13.14 C ATOM 372 CE1 TYR A 23 -5.206 -0.504 0.145 1.00 22.04 C ATOM 373 CE2 TYR A 23 -5.958 0.176 -2.020 1.00 63.31 C ATOM 374 CZ TYR A 23 -5.437 0.487 -0.783 1.00 74.14 C ATOM 375 OH TYR A 23 -5.140 1.796 -0.471 1.00 42.13 O ATOM 0 H TYR A 23 -4.255 -3.211 -3.053 1.00 10.11 H new ATOM 0 HA TYR A 23 -4.700 -4.511 -0.642 1.00 50.24 H new ATOM 0 HB2 TYR A 23 -6.724 -3.658 -2.763 1.00 3.41 H new ATOM 0 HB3 TYR A 23 -7.100 -3.977 -1.081 1.00 3.41 H new ATOM 0 HD1 TYR A 23 -5.307 -2.591 0.560 1.00 11.34 H new ATOM 0 HD2 TYR A 23 -6.655 -1.381 -3.301 1.00 13.14 H new ATOM 0 HE1 TYR A 23 -4.801 -0.255 1.115 1.00 22.04 H new ATOM 0 HE2 TYR A 23 -6.140 0.956 -2.744 1.00 63.31 H new ATOM 0 HH TYR A 23 -4.169 1.900 -0.385 1.00 42.13 H new ATOM 385 N GLY A 24 -5.580 -6.326 -3.244 1.00 73.32 N ATOM 386 CA GLY A 24 -5.974 -7.668 -3.657 1.00 3.30 C ATOM 387 C GLY A 24 -4.968 -8.752 -3.273 1.00 13.24 C ATOM 388 O GLY A 24 -5.354 -9.825 -2.804 1.00 2.53 O ATOM 0 H GLY A 24 -5.360 -5.693 -4.013 1.00 73.32 H new ATOM 0 HA2 GLY A 24 -6.939 -7.907 -3.210 1.00 3.30 H new ATOM 0 HA3 GLY A 24 -6.111 -7.680 -4.738 1.00 3.30 H new ATOM 392 N GLU A 25 -3.677 -8.482 -3.472 1.00 12.52 N ATOM 393 CA GLU A 25 -2.641 -9.482 -3.191 1.00 44.41 C ATOM 394 C GLU A 25 -2.421 -9.650 -1.673 1.00 71.21 C ATOM 395 O GLU A 25 -2.216 -10.769 -1.189 1.00 31.04 O ATOM 396 CB GLU A 25 -1.335 -9.133 -3.935 1.00 25.42 C ATOM 397 CG GLU A 25 -0.547 -7.945 -3.381 1.00 11.23 C ATOM 398 CD GLU A 25 0.572 -8.364 -2.442 1.00 1.43 C ATOM 399 OE1 GLU A 25 1.466 -9.118 -2.886 1.00 33.13 O ATOM 400 OE2 GLU A 25 0.553 -7.951 -1.272 1.00 55.20 O ATOM 0 H GLU A 25 -3.325 -7.591 -3.822 1.00 12.52 H new ATOM 0 HA GLU A 25 -2.983 -10.447 -3.566 1.00 44.41 H new ATOM 0 HB2 GLU A 25 -0.688 -10.010 -3.924 1.00 25.42 H new ATOM 0 HB3 GLU A 25 -1.577 -8.929 -4.978 1.00 25.42 H new ATOM 0 HG2 GLU A 25 -0.125 -7.377 -4.210 1.00 11.23 H new ATOM 0 HG3 GLU A 25 -1.228 -7.279 -2.852 1.00 11.23 H new ATOM 407 N ILE A 26 -2.492 -8.540 -0.928 1.00 1.05 N ATOM 408 CA ILE A 26 -2.476 -8.582 0.544 1.00 11.03 C ATOM 409 C ILE A 26 -3.601 -9.482 1.082 1.00 21.11 C ATOM 410 O ILE A 26 -3.355 -10.400 1.869 1.00 53.30 O ATOM 411 CB ILE A 26 -2.631 -7.159 1.161 1.00 41.31 C ATOM 412 CG1 ILE A 26 -1.384 -6.301 0.882 1.00 0.34 C ATOM 413 CG2 ILE A 26 -2.903 -7.236 2.667 1.00 74.31 C ATOM 414 CD1 ILE A 26 -0.135 -6.775 1.602 1.00 13.55 C ATOM 0 H ILE A 26 -2.561 -7.600 -1.318 1.00 1.05 H new ATOM 0 HA ILE A 26 -1.509 -8.991 0.836 1.00 11.03 H new ATOM 0 HB ILE A 26 -3.489 -6.684 0.686 1.00 41.31 H new ATOM 0 HG12 ILE A 26 -1.192 -6.295 -0.191 1.00 0.34 H new ATOM 0 HG13 ILE A 26 -1.591 -5.272 1.174 1.00 0.34 H new ATOM 0 HG21 ILE A 26 -3.007 -6.229 3.070 1.00 74.31 H new ATOM 0 HG22 ILE A 26 -3.823 -7.793 2.843 1.00 74.31 H new ATOM 0 HG23 ILE A 26 -2.073 -7.741 3.161 1.00 74.31 H new ATOM 0 HD11 ILE A 26 0.699 -6.119 1.354 1.00 13.55 H new ATOM 0 HD12 ILE A 26 -0.305 -6.754 2.678 1.00 13.55 H new ATOM 0 HD13 ILE A 26 0.100 -7.793 1.292 1.00 13.55 H new ATOM 426 N ALA A 27 -4.832 -9.214 0.642 1.00 25.53 N ATOM 427 CA ALA A 27 -6.003 -9.983 1.075 1.00 75.11 C ATOM 428 C ALA A 27 -5.837 -11.485 0.790 1.00 53.22 C ATOM 429 O ALA A 27 -6.120 -12.327 1.645 1.00 35.24 O ATOM 430 CB ALA A 27 -7.260 -9.446 0.397 1.00 75.02 C ATOM 0 H ALA A 27 -5.046 -8.466 -0.018 1.00 25.53 H new ATOM 0 HA ALA A 27 -6.100 -9.866 2.154 1.00 75.11 H new ATOM 0 HB1 ALA A 27 -8.125 -10.023 0.724 1.00 75.02 H new ATOM 0 HB2 ALA A 27 -7.399 -8.399 0.666 1.00 75.02 H new ATOM 0 HB3 ALA A 27 -7.155 -9.532 -0.685 1.00 75.02 H new ATOM 436 N LYS A 28 -5.362 -11.818 -0.411 1.00 2.13 N ATOM 437 CA LYS A 28 -5.172 -13.219 -0.800 1.00 73.24 C ATOM 438 C LYS A 28 -4.169 -13.931 0.126 1.00 1.15 C ATOM 439 O LYS A 28 -4.440 -15.023 0.627 1.00 25.41 O ATOM 440 CB LYS A 28 -4.696 -13.327 -2.257 1.00 32.13 C ATOM 441 CG LYS A 28 -4.738 -14.754 -2.799 1.00 22.33 C ATOM 442 CD LYS A 28 -4.048 -14.890 -4.155 1.00 20.35 C ATOM 443 CE LYS A 28 -2.539 -14.671 -4.059 1.00 61.14 C ATOM 444 NZ LYS A 28 -1.850 -15.035 -5.325 1.00 44.44 N ATOM 0 H LYS A 28 -5.102 -11.142 -1.129 1.00 2.13 H new ATOM 0 HA LYS A 28 -6.140 -13.711 -0.705 1.00 73.24 H new ATOM 0 HB2 LYS A 28 -5.318 -12.689 -2.884 1.00 32.13 H new ATOM 0 HB3 LYS A 28 -3.677 -12.948 -2.329 1.00 32.13 H new ATOM 0 HG2 LYS A 28 -4.260 -15.424 -2.084 1.00 22.33 H new ATOM 0 HG3 LYS A 28 -5.776 -15.073 -2.891 1.00 22.33 H new ATOM 0 HD2 LYS A 28 -4.244 -15.882 -4.563 1.00 20.35 H new ATOM 0 HD3 LYS A 28 -4.475 -14.169 -4.852 1.00 20.35 H new ATOM 0 HE2 LYS A 28 -2.337 -13.626 -3.822 1.00 61.14 H new ATOM 0 HE3 LYS A 28 -2.136 -15.267 -3.241 1.00 61.14 H new ATOM 0 HZ1 LYS A 28 -0.828 -14.873 -5.223 1.00 44.44 H new ATOM 0 HZ2 LYS A 28 -2.022 -16.038 -5.538 1.00 44.44 H new ATOM 0 HZ3 LYS A 28 -2.217 -14.448 -6.101 1.00 44.44 H new ATOM 458 N MET A 29 -3.007 -13.310 0.351 1.00 1.43 N ATOM 459 CA MET A 29 -1.976 -13.894 1.220 1.00 74.20 C ATOM 460 C MET A 29 -2.450 -13.984 2.680 1.00 15.54 C ATOM 461 O MET A 29 -2.180 -14.968 3.372 1.00 64.01 O ATOM 462 CB MET A 29 -0.676 -13.079 1.145 1.00 0.42 C ATOM 463 CG MET A 29 -0.006 -13.109 -0.221 1.00 4.44 C ATOM 464 SD MET A 29 1.593 -12.272 -0.220 1.00 0.33 S ATOM 465 CE MET A 29 1.113 -10.624 0.290 1.00 73.22 C ATOM 0 H MET A 29 -2.756 -12.408 -0.053 1.00 1.43 H new ATOM 0 HA MET A 29 -1.786 -14.905 0.860 1.00 74.20 H new ATOM 0 HB2 MET A 29 -0.892 -12.044 1.410 1.00 0.42 H new ATOM 0 HB3 MET A 29 0.023 -13.459 1.890 1.00 0.42 H new ATOM 0 HG2 MET A 29 0.129 -14.144 -0.534 1.00 4.44 H new ATOM 0 HG3 MET A 29 -0.660 -12.637 -0.954 1.00 4.44 H new ATOM 0 HE1 MET A 29 1.678 -9.887 -0.281 1.00 73.22 H new ATOM 0 HE2 MET A 29 0.047 -10.483 0.110 1.00 73.22 H new ATOM 0 HE3 MET A 29 1.321 -10.497 1.352 1.00 73.22 H new ATOM 475 N ALA A 30 -3.162 -12.954 3.136 1.00 12.33 N ATOM 476 CA ALA A 30 -3.713 -12.925 4.497 1.00 13.31 C ATOM 477 C ALA A 30 -4.731 -14.054 4.729 1.00 1.43 C ATOM 478 O ALA A 30 -4.967 -14.472 5.865 1.00 31.35 O ATOM 479 CB ALA A 30 -4.353 -11.570 4.769 1.00 71.34 C ATOM 0 H ALA A 30 -3.373 -12.124 2.583 1.00 12.33 H new ATOM 0 HA ALA A 30 -2.889 -13.083 5.193 1.00 13.31 H new ATOM 0 HB1 ALA A 30 -4.759 -11.556 5.780 1.00 71.34 H new ATOM 0 HB2 ALA A 30 -3.602 -10.786 4.669 1.00 71.34 H new ATOM 0 HB3 ALA A 30 -5.156 -11.397 4.053 1.00 71.34 H new ATOM 485 N GLY A 31 -5.322 -14.548 3.645 1.00 40.34 N ATOM 486 CA GLY A 31 -6.289 -15.637 3.737 1.00 72.42 C ATOM 487 C GLY A 31 -7.733 -15.173 3.613 1.00 61.34 C ATOM 488 O GLY A 31 -8.655 -15.859 4.062 1.00 54.21 O ATOM 0 H GLY A 31 -5.149 -14.213 2.697 1.00 40.34 H new ATOM 0 HA2 GLY A 31 -6.080 -16.366 2.954 1.00 72.42 H new ATOM 0 HA3 GLY A 31 -6.160 -16.149 4.691 1.00 72.42 H new ATOM 492 N TYR A 32 -7.935 -14.008 3.001 1.00 14.53 N ATOM 493 CA TYR A 32 -9.280 -13.456 2.792 1.00 35.04 C ATOM 494 C TYR A 32 -9.458 -12.972 1.340 1.00 14.34 C ATOM 495 O TYR A 32 -9.489 -11.768 1.072 1.00 0.21 O ATOM 496 CB TYR A 32 -9.545 -12.303 3.774 1.00 2.10 C ATOM 497 CG TYR A 32 -9.398 -12.692 5.233 1.00 71.44 C ATOM 498 CD1 TYR A 32 -10.476 -13.189 5.960 1.00 10.42 C ATOM 499 CD2 TYR A 32 -8.175 -12.563 5.883 1.00 24.30 C ATOM 500 CE1 TYR A 32 -10.337 -13.543 7.289 1.00 43.10 C ATOM 501 CE2 TYR A 32 -8.030 -12.915 7.209 1.00 64.05 C ATOM 502 CZ TYR A 32 -9.112 -13.406 7.908 1.00 2.41 C ATOM 503 OH TYR A 32 -8.967 -13.753 9.231 1.00 43.22 O ATOM 0 H TYR A 32 -7.183 -13.422 2.638 1.00 14.53 H new ATOM 0 HA TYR A 32 -10.004 -14.249 2.978 1.00 35.04 H new ATOM 0 HB2 TYR A 32 -8.857 -11.487 3.555 1.00 2.10 H new ATOM 0 HB3 TYR A 32 -10.553 -11.923 3.609 1.00 2.10 H new ATOM 0 HD1 TYR A 32 -11.436 -13.300 5.478 1.00 10.42 H new ATOM 0 HD2 TYR A 32 -7.324 -12.180 5.340 1.00 24.30 H new ATOM 0 HE1 TYR A 32 -11.184 -13.925 7.840 1.00 43.10 H new ATOM 0 HE2 TYR A 32 -7.073 -12.806 7.697 1.00 64.05 H new ATOM 0 HH TYR A 32 -8.041 -13.596 9.511 1.00 43.22 H new ATOM 513 N PRO A 33 -9.577 -13.910 0.379 1.00 50.10 N ATOM 514 CA PRO A 33 -9.714 -13.568 -1.049 1.00 21.22 C ATOM 515 C PRO A 33 -11.035 -12.842 -1.364 1.00 51.22 C ATOM 516 O PRO A 33 -12.127 -13.357 -1.103 1.00 50.41 O ATOM 517 CB PRO A 33 -9.655 -14.935 -1.752 1.00 71.14 C ATOM 518 CG PRO A 33 -10.075 -15.920 -0.712 1.00 50.02 C ATOM 519 CD PRO A 33 -9.589 -15.368 0.602 1.00 41.15 C ATOM 0 HA PRO A 33 -8.939 -12.875 -1.376 1.00 21.22 H new ATOM 0 HB2 PRO A 33 -10.320 -14.964 -2.615 1.00 71.14 H new ATOM 0 HB3 PRO A 33 -8.650 -15.149 -2.116 1.00 71.14 H new ATOM 0 HG2 PRO A 33 -11.158 -16.044 -0.707 1.00 50.02 H new ATOM 0 HG3 PRO A 33 -9.643 -16.901 -0.907 1.00 50.02 H new ATOM 0 HD2 PRO A 33 -10.251 -15.643 1.423 1.00 41.15 H new ATOM 0 HD3 PRO A 33 -8.597 -15.744 0.853 1.00 41.15 H new ATOM 527 N GLY A 34 -10.929 -11.642 -1.934 1.00 21.13 N ATOM 528 CA GLY A 34 -12.111 -10.839 -2.241 1.00 61.51 C ATOM 529 C GLY A 34 -12.266 -9.630 -1.321 1.00 35.42 C ATOM 530 O GLY A 34 -12.925 -8.650 -1.674 1.00 12.14 O ATOM 0 H GLY A 34 -10.043 -11.207 -2.191 1.00 21.13 H new ATOM 0 HA2 GLY A 34 -12.053 -10.497 -3.274 1.00 61.51 H new ATOM 0 HA3 GLY A 34 -13.000 -11.465 -2.162 1.00 61.51 H new ATOM 534 N TYR A 35 -11.636 -9.685 -0.150 1.00 1.31 N ATOM 535 CA TYR A 35 -11.722 -8.604 0.846 1.00 15.31 C ATOM 536 C TYR A 35 -10.728 -7.462 0.541 1.00 24.41 C ATOM 537 O TYR A 35 -10.293 -6.750 1.449 1.00 64.40 O ATOM 538 CB TYR A 35 -11.444 -9.168 2.248 1.00 31.54 C ATOM 539 CG TYR A 35 -12.466 -10.184 2.739 1.00 64.15 C ATOM 540 CD1 TYR A 35 -12.608 -11.422 2.115 1.00 35.44 C ATOM 541 CD2 TYR A 35 -13.274 -9.913 3.840 1.00 2.43 C ATOM 542 CE1 TYR A 35 -13.521 -12.352 2.570 1.00 42.11 C ATOM 543 CE2 TYR A 35 -14.192 -10.840 4.299 1.00 71.31 C ATOM 544 CZ TYR A 35 -14.311 -12.057 3.660 1.00 64.52 C ATOM 545 OH TYR A 35 -15.216 -12.986 4.120 1.00 22.42 O ATOM 0 H TYR A 35 -11.054 -10.471 0.140 1.00 1.31 H new ATOM 0 HA TYR A 35 -12.730 -8.191 0.802 1.00 15.31 H new ATOM 0 HB2 TYR A 35 -10.459 -9.635 2.248 1.00 31.54 H new ATOM 0 HB3 TYR A 35 -11.405 -8.341 2.957 1.00 31.54 H new ATOM 0 HD1 TYR A 35 -11.992 -11.658 1.260 1.00 35.44 H new ATOM 0 HD2 TYR A 35 -13.182 -8.962 4.344 1.00 2.43 H new ATOM 0 HE1 TYR A 35 -13.616 -13.307 2.074 1.00 42.11 H new ATOM 0 HE2 TYR A 35 -14.812 -10.612 5.153 1.00 71.31 H new ATOM 0 HH TYR A 35 -15.693 -12.622 4.895 1.00 22.42 H new ATOM 555 N ALA A 36 -10.415 -7.264 -0.740 1.00 42.54 N ATOM 556 CA ALA A 36 -9.408 -6.280 -1.164 1.00 70.15 C ATOM 557 C ALA A 36 -9.662 -4.873 -0.589 1.00 24.22 C ATOM 558 O ALA A 36 -8.837 -4.335 0.152 1.00 22.34 O ATOM 559 CB ALA A 36 -9.348 -6.224 -2.686 1.00 10.23 C ATOM 0 H ALA A 36 -10.846 -7.775 -1.510 1.00 42.54 H new ATOM 0 HA ALA A 36 -8.449 -6.612 -0.765 1.00 70.15 H new ATOM 0 HB1 ALA A 36 -8.600 -5.493 -2.994 1.00 10.23 H new ATOM 0 HB2 ALA A 36 -9.078 -7.206 -3.076 1.00 10.23 H new ATOM 0 HB3 ALA A 36 -10.323 -5.933 -3.078 1.00 10.23 H new ATOM 565 N ARG A 37 -10.806 -4.280 -0.925 1.00 20.03 N ATOM 566 CA ARG A 37 -11.118 -2.912 -0.479 1.00 54.24 C ATOM 567 C ARG A 37 -11.238 -2.813 1.050 1.00 11.23 C ATOM 568 O ARG A 37 -10.928 -1.775 1.635 1.00 64.25 O ATOM 569 CB ARG A 37 -12.398 -2.404 -1.151 1.00 10.15 C ATOM 570 CG ARG A 37 -13.641 -3.237 -0.849 1.00 22.50 C ATOM 571 CD ARG A 37 -14.805 -2.835 -1.746 1.00 64.33 C ATOM 572 NE ARG A 37 -14.433 -2.901 -3.157 1.00 72.42 N ATOM 573 CZ ARG A 37 -15.253 -2.735 -4.156 1.00 15.15 C ATOM 574 NH1 ARG A 37 -16.512 -2.507 -3.959 1.00 35.15 N ATOM 575 NH2 ARG A 37 -14.795 -2.796 -5.363 1.00 71.20 N ATOM 0 H ARG A 37 -11.529 -4.715 -1.498 1.00 20.03 H new ATOM 0 HA ARG A 37 -10.284 -2.278 -0.780 1.00 54.24 H new ATOM 0 HB2 ARG A 37 -12.578 -1.377 -0.833 1.00 10.15 H new ATOM 0 HB3 ARG A 37 -12.243 -2.382 -2.230 1.00 10.15 H new ATOM 0 HG2 ARG A 37 -13.417 -4.294 -0.991 1.00 22.50 H new ATOM 0 HG3 ARG A 37 -13.923 -3.109 0.196 1.00 22.50 H new ATOM 0 HD2 ARG A 37 -15.654 -3.492 -1.560 1.00 64.33 H new ATOM 0 HD3 ARG A 37 -15.125 -1.823 -1.499 1.00 64.33 H new ATOM 0 HE ARG A 37 -13.456 -3.092 -3.377 1.00 72.42 H new ATOM 0 HH11 ARG A 37 -16.878 -2.455 -3.008 1.00 35.15 H new ATOM 0 HH12 ARG A 37 -17.138 -2.380 -4.754 1.00 35.15 H new ATOM 0 HH21 ARG A 37 -13.803 -2.972 -5.524 1.00 71.20 H new ATOM 0 HH22 ARG A 37 -15.425 -2.668 -6.155 1.00 71.20 H new ATOM 589 N HIS A 38 -11.670 -3.895 1.699 1.00 43.35 N ATOM 590 CA HIS A 38 -11.788 -3.913 3.164 1.00 62.31 C ATOM 591 C HIS A 38 -10.428 -3.660 3.832 1.00 11.42 C ATOM 592 O HIS A 38 -10.353 -3.063 4.910 1.00 14.44 O ATOM 593 CB HIS A 38 -12.386 -5.242 3.638 1.00 35.05 C ATOM 594 CG HIS A 38 -13.826 -5.410 3.260 1.00 73.44 C ATOM 595 ND1 HIS A 38 -14.834 -4.952 4.070 1.00 63.23 N ATOM 596 CD2 HIS A 38 -14.371 -5.977 2.157 1.00 33.33 C ATOM 597 CE1 HIS A 38 -15.961 -5.246 3.452 1.00 15.51 C ATOM 598 NE2 HIS A 38 -15.732 -5.865 2.286 1.00 60.15 N ATOM 0 H HIS A 38 -11.943 -4.765 1.242 1.00 43.35 H new ATOM 0 HA HIS A 38 -12.460 -3.107 3.459 1.00 62.31 H new ATOM 0 HB2 HIS A 38 -11.808 -6.064 3.216 1.00 35.05 H new ATOM 0 HB3 HIS A 38 -12.291 -5.309 4.722 1.00 35.05 H new ATOM 0 HD2 HIS A 38 -13.837 -6.430 1.335 1.00 33.33 H new ATOM 0 HE1 HIS A 38 -16.944 -5.017 3.837 1.00 15.51 H new ATOM 0 HE2 HIS A 38 -16.435 -6.190 1.622 1.00 60.15 H new ATOM 606 N VAL A 39 -9.356 -4.107 3.179 1.00 55.45 N ATOM 607 CA VAL A 39 -7.993 -3.801 3.626 1.00 23.12 C ATOM 608 C VAL A 39 -7.723 -2.287 3.541 1.00 55.24 C ATOM 609 O VAL A 39 -7.191 -1.683 4.474 1.00 23.14 O ATOM 610 CB VAL A 39 -6.937 -4.559 2.778 1.00 14.31 C ATOM 611 CG1 VAL A 39 -5.523 -4.284 3.287 1.00 2.20 C ATOM 612 CG2 VAL A 39 -7.228 -6.061 2.764 1.00 72.20 C ATOM 0 H VAL A 39 -9.403 -4.683 2.338 1.00 55.45 H new ATOM 0 HA VAL A 39 -7.909 -4.128 4.662 1.00 23.12 H new ATOM 0 HB VAL A 39 -7.002 -4.190 1.754 1.00 14.31 H new ATOM 0 HG11 VAL A 39 -4.804 -4.828 2.675 1.00 2.20 H new ATOM 0 HG12 VAL A 39 -5.316 -3.215 3.227 1.00 2.20 H new ATOM 0 HG13 VAL A 39 -5.439 -4.612 4.323 1.00 2.20 H new ATOM 0 HG21 VAL A 39 -6.475 -6.572 2.164 1.00 72.20 H new ATOM 0 HG22 VAL A 39 -7.202 -6.446 3.783 1.00 72.20 H new ATOM 0 HG23 VAL A 39 -8.215 -6.236 2.335 1.00 72.20 H new ATOM 622 N GLY A 40 -8.122 -1.682 2.420 1.00 45.42 N ATOM 623 CA GLY A 40 -7.946 -0.245 2.222 1.00 22.23 C ATOM 624 C GLY A 40 -8.671 0.604 3.263 1.00 61.30 C ATOM 625 O GLY A 40 -8.112 1.572 3.787 1.00 70.21 O ATOM 0 H GLY A 40 -8.567 -2.164 1.639 1.00 45.42 H new ATOM 0 HA2 GLY A 40 -6.882 -0.010 2.249 1.00 22.23 H new ATOM 0 HA3 GLY A 40 -8.307 0.024 1.229 1.00 22.23 H new ATOM 629 N LYS A 41 -9.919 0.248 3.565 1.00 72.12 N ATOM 630 CA LYS A 41 -10.697 0.954 4.593 1.00 35.24 C ATOM 631 C LYS A 41 -10.071 0.768 5.985 1.00 24.02 C ATOM 632 O LYS A 41 -10.012 1.708 6.778 1.00 24.40 O ATOM 633 CB LYS A 41 -12.162 0.482 4.597 1.00 51.20 C ATOM 634 CG LYS A 41 -13.024 1.092 3.486 1.00 71.50 C ATOM 635 CD LYS A 41 -12.513 0.738 2.090 1.00 71.52 C ATOM 636 CE LYS A 41 -13.364 1.369 0.992 1.00 60.25 C ATOM 637 NZ LYS A 41 -13.387 2.852 1.085 1.00 53.32 N ATOM 0 H LYS A 41 -10.415 -0.522 3.116 1.00 72.12 H new ATOM 0 HA LYS A 41 -10.679 2.016 4.349 1.00 35.24 H new ATOM 0 HB2 LYS A 41 -12.182 -0.604 4.502 1.00 51.20 H new ATOM 0 HB3 LYS A 41 -12.607 0.726 5.562 1.00 51.20 H new ATOM 0 HG2 LYS A 41 -14.051 0.742 3.593 1.00 71.50 H new ATOM 0 HG3 LYS A 41 -13.043 2.176 3.599 1.00 71.50 H new ATOM 0 HD2 LYS A 41 -11.481 1.073 1.986 1.00 71.52 H new ATOM 0 HD3 LYS A 41 -12.510 -0.345 1.969 1.00 71.52 H new ATOM 0 HE2 LYS A 41 -12.975 1.073 0.018 1.00 60.25 H new ATOM 0 HE3 LYS A 41 -14.382 0.986 1.058 1.00 60.25 H new ATOM 0 HZ1 LYS A 41 -13.815 3.247 0.224 1.00 53.32 H new ATOM 0 HZ2 LYS A 41 -13.947 3.139 1.913 1.00 53.32 H new ATOM 0 HZ3 LYS A 41 -12.415 3.209 1.183 1.00 53.32 H new ATOM 651 N ALA A 42 -9.592 -0.444 6.267 1.00 64.54 N ATOM 652 CA ALA A 42 -8.902 -0.731 7.530 1.00 74.41 C ATOM 653 C ALA A 42 -7.661 0.159 7.700 1.00 63.35 C ATOM 654 O ALA A 42 -7.422 0.712 8.776 1.00 3.41 O ATOM 655 CB ALA A 42 -8.514 -2.202 7.594 1.00 60.51 C ATOM 0 H ALA A 42 -9.668 -1.244 5.639 1.00 64.54 H new ATOM 0 HA ALA A 42 -9.587 -0.510 8.349 1.00 74.41 H new ATOM 0 HB1 ALA A 42 -8.003 -2.403 8.536 1.00 60.51 H new ATOM 0 HB2 ALA A 42 -9.411 -2.818 7.530 1.00 60.51 H new ATOM 0 HB3 ALA A 42 -7.850 -2.440 6.763 1.00 60.51 H new ATOM 661 N LEU A 43 -6.878 0.289 6.625 1.00 52.11 N ATOM 662 CA LEU A 43 -5.702 1.169 6.615 1.00 25.24 C ATOM 663 C LEU A 43 -6.105 2.645 6.763 1.00 15.42 C ATOM 664 O LEU A 43 -5.423 3.422 7.429 1.00 32.54 O ATOM 665 CB LEU A 43 -4.906 0.974 5.316 1.00 53.43 C ATOM 666 CG LEU A 43 -4.327 -0.436 5.107 1.00 31.11 C ATOM 667 CD1 LEU A 43 -3.587 -0.525 3.773 1.00 5.05 C ATOM 668 CD2 LEU A 43 -3.405 -0.818 6.263 1.00 22.30 C ATOM 0 H LEU A 43 -7.037 -0.205 5.747 1.00 52.11 H new ATOM 0 HA LEU A 43 -5.077 0.900 7.467 1.00 25.24 H new ATOM 0 HB2 LEU A 43 -5.554 1.212 4.473 1.00 53.43 H new ATOM 0 HB3 LEU A 43 -4.086 1.692 5.300 1.00 53.43 H new ATOM 0 HG LEU A 43 -5.155 -1.144 5.084 1.00 31.11 H new ATOM 0 HD11 LEU A 43 -3.186 -1.530 3.646 1.00 5.05 H new ATOM 0 HD12 LEU A 43 -4.277 -0.304 2.959 1.00 5.05 H new ATOM 0 HD13 LEU A 43 -2.770 0.196 3.762 1.00 5.05 H new ATOM 0 HD21 LEU A 43 -3.006 -1.819 6.095 1.00 22.30 H new ATOM 0 HD22 LEU A 43 -2.583 -0.105 6.323 1.00 22.30 H new ATOM 0 HD23 LEU A 43 -3.967 -0.803 7.197 1.00 22.30 H new ATOM 680 N GLY A 44 -7.225 3.021 6.146 1.00 53.21 N ATOM 681 CA GLY A 44 -7.709 4.399 6.220 1.00 13.12 C ATOM 682 C GLY A 44 -8.141 4.823 7.624 1.00 51.04 C ATOM 683 O GLY A 44 -8.296 6.016 7.901 1.00 54.33 O ATOM 0 H GLY A 44 -7.811 2.395 5.593 1.00 53.21 H new ATOM 0 HA2 GLY A 44 -6.923 5.070 5.873 1.00 13.12 H new ATOM 0 HA3 GLY A 44 -8.552 4.516 5.539 1.00 13.12 H new ATOM 687 N ASN A 45 -8.349 3.852 8.511 1.00 3.20 N ATOM 688 CA ASN A 45 -8.740 4.139 9.897 1.00 13.04 C ATOM 689 C ASN A 45 -7.533 4.120 10.855 1.00 52.24 C ATOM 690 O ASN A 45 -7.696 4.268 12.069 1.00 55.31 O ATOM 691 CB ASN A 45 -9.802 3.136 10.368 1.00 42.33 C ATOM 692 CG ASN A 45 -11.083 3.219 9.554 1.00 54.23 C ATOM 693 OD1 ASN A 45 -11.412 4.258 8.995 1.00 42.31 O ATOM 694 ND2 ASN A 45 -11.829 2.135 9.498 1.00 23.34 N ATOM 0 H ASN A 45 -8.254 2.859 8.299 1.00 3.20 H new ATOM 0 HA ASN A 45 -9.158 5.146 9.915 1.00 13.04 H new ATOM 0 HB2 ASN A 45 -9.398 2.126 10.301 1.00 42.33 H new ATOM 0 HB3 ASN A 45 -10.030 3.320 11.418 1.00 42.33 H new ATOM 0 HD21 ASN A 45 -12.707 2.146 8.979 1.00 23.34 H new ATOM 0 HD22 ASN A 45 -11.529 1.284 9.974 1.00 23.34 H new ATOM 701 N LEU A 46 -6.328 3.953 10.313 1.00 5.01 N ATOM 702 CA LEU A 46 -5.109 3.911 11.135 1.00 33.32 C ATOM 703 C LEU A 46 -4.720 5.304 11.663 1.00 23.13 C ATOM 704 O LEU A 46 -4.689 6.278 10.907 1.00 73.12 O ATOM 705 CB LEU A 46 -3.936 3.335 10.329 1.00 24.40 C ATOM 706 CG LEU A 46 -4.077 1.869 9.898 1.00 55.31 C ATOM 707 CD1 LEU A 46 -2.876 1.446 9.059 1.00 40.21 C ATOM 708 CD2 LEU A 46 -4.240 0.956 11.111 1.00 60.35 C ATOM 0 H LEU A 46 -6.165 3.844 9.312 1.00 5.01 H new ATOM 0 HA LEU A 46 -5.325 3.268 11.988 1.00 33.32 H new ATOM 0 HB2 LEU A 46 -3.799 3.945 9.436 1.00 24.40 H new ATOM 0 HB3 LEU A 46 -3.028 3.433 10.924 1.00 24.40 H new ATOM 0 HG LEU A 46 -4.975 1.776 9.288 1.00 55.31 H new ATOM 0 HD11 LEU A 46 -2.990 0.404 8.760 1.00 40.21 H new ATOM 0 HD12 LEU A 46 -2.814 2.074 8.170 1.00 40.21 H new ATOM 0 HD13 LEU A 46 -1.964 1.558 9.646 1.00 40.21 H new ATOM 0 HD21 LEU A 46 -4.338 -0.077 10.778 1.00 60.35 H new ATOM 0 HD22 LEU A 46 -3.366 1.048 11.756 1.00 60.35 H new ATOM 0 HD23 LEU A 46 -5.133 1.244 11.666 1.00 60.35 H new ATOM 720 N PRO A 47 -4.429 5.423 12.972 1.00 53.51 N ATOM 721 CA PRO A 47 -3.889 6.660 13.552 1.00 31.44 C ATOM 722 C PRO A 47 -2.365 6.783 13.355 1.00 3.11 C ATOM 723 O PRO A 47 -1.664 5.780 13.211 1.00 2.33 O ATOM 724 CB PRO A 47 -4.240 6.513 15.035 1.00 22.20 C ATOM 725 CG PRO A 47 -4.191 5.041 15.285 1.00 32.43 C ATOM 726 CD PRO A 47 -4.622 4.374 13.998 1.00 25.04 C ATOM 0 HA PRO A 47 -4.298 7.556 13.086 1.00 31.44 H new ATOM 0 HB2 PRO A 47 -3.530 7.047 15.666 1.00 22.20 H new ATOM 0 HB3 PRO A 47 -5.228 6.920 15.252 1.00 22.20 H new ATOM 0 HG2 PRO A 47 -3.185 4.728 15.567 1.00 32.43 H new ATOM 0 HG3 PRO A 47 -4.852 4.764 16.106 1.00 32.43 H new ATOM 0 HD2 PRO A 47 -4.020 3.491 13.785 1.00 25.04 H new ATOM 0 HD3 PRO A 47 -5.661 4.048 14.045 1.00 25.04 H new ATOM 734 N GLU A 48 -1.855 8.014 13.364 1.00 63.41 N ATOM 735 CA GLU A 48 -0.418 8.274 13.166 1.00 63.30 C ATOM 736 C GLU A 48 0.457 7.535 14.198 1.00 51.32 C ATOM 737 O GLU A 48 1.605 7.195 13.915 1.00 40.50 O ATOM 738 CB GLU A 48 -0.134 9.787 13.224 1.00 1.21 C ATOM 739 CG GLU A 48 -0.343 10.425 14.598 1.00 64.23 C ATOM 740 CD GLU A 48 -1.743 10.199 15.149 1.00 24.04 C ATOM 741 OE1 GLU A 48 -2.703 10.758 14.584 1.00 4.31 O ATOM 742 OE2 GLU A 48 -1.893 9.434 16.125 1.00 44.32 O ATOM 0 H GLU A 48 -2.414 8.855 13.507 1.00 63.41 H new ATOM 0 HA GLU A 48 -0.156 7.891 12.179 1.00 63.30 H new ATOM 0 HB2 GLU A 48 0.895 9.962 12.910 1.00 1.21 H new ATOM 0 HB3 GLU A 48 -0.777 10.291 12.503 1.00 1.21 H new ATOM 0 HG2 GLU A 48 0.387 10.017 15.297 1.00 64.23 H new ATOM 0 HG3 GLU A 48 -0.154 11.496 14.528 1.00 64.23 H new ATOM 749 N GLY A 49 -0.088 7.303 15.395 1.00 62.50 N ATOM 750 CA GLY A 49 0.637 6.571 16.431 1.00 20.54 C ATOM 751 C GLY A 49 0.948 5.123 16.049 1.00 31.11 C ATOM 752 O GLY A 49 1.853 4.505 16.614 1.00 31.23 O ATOM 0 H GLY A 49 -1.022 7.610 15.667 1.00 62.50 H new ATOM 0 HA2 GLY A 49 1.571 7.090 16.646 1.00 20.54 H new ATOM 0 HA3 GLY A 49 0.049 6.578 17.349 1.00 20.54 H new ATOM 756 N SER A 50 0.197 4.578 15.095 1.00 24.22 N ATOM 757 CA SER A 50 0.429 3.209 14.613 1.00 3.02 C ATOM 758 C SER A 50 1.648 3.142 13.681 1.00 33.33 C ATOM 759 O SER A 50 1.763 3.912 12.730 1.00 10.23 O ATOM 760 CB SER A 50 -0.813 2.672 13.887 1.00 51.21 C ATOM 761 OG SER A 50 -1.922 2.561 14.767 1.00 62.33 O ATOM 0 H SER A 50 -0.578 5.059 14.638 1.00 24.22 H new ATOM 0 HA SER A 50 0.630 2.585 15.484 1.00 3.02 H new ATOM 0 HB2 SER A 50 -1.068 3.335 13.060 1.00 51.21 H new ATOM 0 HB3 SER A 50 -0.590 1.696 13.456 1.00 51.21 H new ATOM 0 HG SER A 50 -2.580 1.942 14.388 1.00 62.33 H new ATOM 767 N LYS A 51 2.545 2.194 13.947 1.00 72.12 N ATOM 768 CA LYS A 51 3.792 2.054 13.171 1.00 1.32 C ATOM 769 C LYS A 51 3.582 1.246 11.874 1.00 50.12 C ATOM 770 O LYS A 51 4.543 0.903 11.181 1.00 2.20 O ATOM 771 CB LYS A 51 4.896 1.397 14.027 1.00 75.42 C ATOM 772 CG LYS A 51 4.683 -0.091 14.338 1.00 63.23 C ATOM 773 CD LYS A 51 3.555 -0.340 15.341 1.00 64.22 C ATOM 774 CE LYS A 51 3.863 0.251 16.716 1.00 12.23 C ATOM 775 NZ LYS A 51 2.813 -0.090 17.719 1.00 72.05 N ATOM 0 H LYS A 51 2.438 1.507 14.693 1.00 72.12 H new ATOM 0 HA LYS A 51 4.105 3.059 12.889 1.00 1.32 H new ATOM 0 HB2 LYS A 51 5.850 1.511 13.511 1.00 75.42 H new ATOM 0 HB3 LYS A 51 4.976 1.941 14.968 1.00 75.42 H new ATOM 0 HG2 LYS A 51 4.461 -0.621 13.412 1.00 63.23 H new ATOM 0 HG3 LYS A 51 5.609 -0.510 14.731 1.00 63.23 H new ATOM 0 HD2 LYS A 51 2.630 0.094 14.960 1.00 64.22 H new ATOM 0 HD3 LYS A 51 3.388 -1.413 15.438 1.00 64.22 H new ATOM 0 HE2 LYS A 51 4.828 -0.119 17.062 1.00 12.23 H new ATOM 0 HE3 LYS A 51 3.948 1.335 16.634 1.00 12.23 H new ATOM 0 HZ1 LYS A 51 3.061 0.330 18.637 1.00 72.05 H new ATOM 0 HZ2 LYS A 51 1.896 0.285 17.403 1.00 72.05 H new ATOM 0 HZ3 LYS A 51 2.749 -1.123 17.817 1.00 72.05 H new ATOM 789 N LEU A 52 2.326 0.952 11.550 1.00 54.14 N ATOM 790 CA LEU A 52 1.990 0.191 10.341 1.00 43.33 C ATOM 791 C LEU A 52 1.954 1.102 9.101 1.00 72.12 C ATOM 792 O LEU A 52 1.128 2.016 9.019 1.00 33.12 O ATOM 793 CB LEU A 52 0.628 -0.492 10.519 1.00 1.03 C ATOM 794 CG LEU A 52 0.141 -1.312 9.314 1.00 21.03 C ATOM 795 CD1 LEU A 52 1.041 -2.520 9.078 1.00 3.02 C ATOM 796 CD2 LEU A 52 -1.305 -1.740 9.512 1.00 0.35 C ATOM 0 H LEU A 52 1.518 1.229 12.108 1.00 54.14 H new ATOM 0 HA LEU A 52 2.763 -0.562 10.189 1.00 43.33 H new ATOM 0 HB2 LEU A 52 0.680 -1.149 11.387 1.00 1.03 H new ATOM 0 HB3 LEU A 52 -0.117 0.272 10.742 1.00 1.03 H new ATOM 0 HG LEU A 52 0.192 -0.681 8.427 1.00 21.03 H new ATOM 0 HD11 LEU A 52 0.675 -3.084 8.220 1.00 3.02 H new ATOM 0 HD12 LEU A 52 2.059 -2.183 8.883 1.00 3.02 H new ATOM 0 HD13 LEU A 52 1.033 -3.158 9.962 1.00 3.02 H new ATOM 0 HD21 LEU A 52 -1.634 -2.320 8.650 1.00 0.35 H new ATOM 0 HD22 LEU A 52 -1.384 -2.351 10.411 1.00 0.35 H new ATOM 0 HD23 LEU A 52 -1.935 -0.857 9.617 1.00 0.35 H new ATOM 808 N PRO A 53 2.837 0.869 8.109 1.00 71.22 N ATOM 809 CA PRO A 53 2.884 1.706 6.903 1.00 1.12 C ATOM 810 C PRO A 53 1.723 1.432 5.928 1.00 12.44 C ATOM 811 O PRO A 53 1.785 0.525 5.095 1.00 4.12 O ATOM 812 CB PRO A 53 4.230 1.326 6.271 1.00 61.44 C ATOM 813 CG PRO A 53 4.464 -0.084 6.707 1.00 24.42 C ATOM 814 CD PRO A 53 3.858 -0.201 8.085 1.00 1.52 C ATOM 0 HA PRO A 53 2.787 2.765 7.141 1.00 1.12 H new ATOM 0 HB2 PRO A 53 4.194 1.405 5.184 1.00 61.44 H new ATOM 0 HB3 PRO A 53 5.029 1.985 6.612 1.00 61.44 H new ATOM 0 HG2 PRO A 53 4.000 -0.788 6.016 1.00 24.42 H new ATOM 0 HG3 PRO A 53 5.529 -0.314 6.729 1.00 24.42 H new ATOM 0 HD2 PRO A 53 3.413 -1.183 8.245 1.00 1.52 H new ATOM 0 HD3 PRO A 53 4.606 -0.059 8.865 1.00 1.52 H new ATOM 822 N TRP A 54 0.672 2.240 6.030 1.00 50.52 N ATOM 823 CA TRP A 54 -0.493 2.129 5.138 1.00 51.52 C ATOM 824 C TRP A 54 -0.175 2.619 3.717 1.00 51.24 C ATOM 825 O TRP A 54 -0.719 2.114 2.735 1.00 62.22 O ATOM 826 CB TRP A 54 -1.674 2.923 5.719 1.00 4.11 C ATOM 827 CG TRP A 54 -1.303 4.307 6.188 1.00 1.52 C ATOM 828 CD1 TRP A 54 -0.927 4.665 7.454 1.00 32.13 C ATOM 829 CD2 TRP A 54 -1.273 5.513 5.408 1.00 53.41 C ATOM 830 NE1 TRP A 54 -0.666 6.012 7.505 1.00 23.53 N ATOM 831 CE2 TRP A 54 -0.870 6.555 6.265 1.00 35.24 C ATOM 832 CE3 TRP A 54 -1.548 5.814 4.069 1.00 54.11 C ATOM 833 CZ2 TRP A 54 -0.733 7.870 5.828 1.00 32.02 C ATOM 834 CZ3 TRP A 54 -1.408 7.119 3.637 1.00 62.41 C ATOM 835 CH2 TRP A 54 -1.005 8.134 4.514 1.00 24.12 C ATOM 0 H TRP A 54 0.597 2.985 6.723 1.00 50.52 H new ATOM 0 HA TRP A 54 -0.760 1.074 5.069 1.00 51.52 H new ATOM 0 HB2 TRP A 54 -2.454 3.003 4.962 1.00 4.11 H new ATOM 0 HB3 TRP A 54 -2.097 2.367 6.556 1.00 4.11 H new ATOM 0 HD1 TRP A 54 -0.847 3.987 8.291 1.00 32.13 H new ATOM 0 HE1 TRP A 54 -0.368 6.526 8.334 1.00 23.53 H new ATOM 0 HE3 TRP A 54 -1.864 5.040 3.385 1.00 54.11 H new ATOM 0 HZ2 TRP A 54 -0.423 8.654 6.503 1.00 32.02 H new ATOM 0 HZ3 TRP A 54 -1.613 7.361 2.605 1.00 62.41 H new ATOM 0 HH2 TRP A 54 -0.907 9.144 4.146 1.00 24.12 H new ATOM 846 N PHE A 55 0.728 3.589 3.621 1.00 73.12 N ATOM 847 CA PHE A 55 1.085 4.214 2.338 1.00 62.41 C ATOM 848 C PHE A 55 1.735 3.231 1.345 1.00 13.13 C ATOM 849 O PHE A 55 1.909 3.556 0.173 1.00 54.24 O ATOM 850 CB PHE A 55 2.016 5.411 2.584 1.00 0.45 C ATOM 851 CG PHE A 55 3.230 5.090 3.424 1.00 41.34 C ATOM 852 CD1 PHE A 55 4.394 4.608 2.840 1.00 54.52 C ATOM 853 CD2 PHE A 55 3.208 5.279 4.800 1.00 54.41 C ATOM 854 CE1 PHE A 55 5.507 4.323 3.607 1.00 72.43 C ATOM 855 CE2 PHE A 55 4.318 4.994 5.571 1.00 64.43 C ATOM 856 CZ PHE A 55 5.469 4.516 4.974 1.00 22.23 C ATOM 0 H PHE A 55 1.234 3.967 4.421 1.00 73.12 H new ATOM 0 HA PHE A 55 0.155 4.550 1.879 1.00 62.41 H new ATOM 0 HB2 PHE A 55 2.347 5.803 1.622 1.00 0.45 H new ATOM 0 HB3 PHE A 55 1.449 6.203 3.073 1.00 0.45 H new ATOM 0 HD1 PHE A 55 4.430 4.454 1.772 1.00 54.52 H new ATOM 0 HD2 PHE A 55 2.312 5.653 5.273 1.00 54.41 H new ATOM 0 HE1 PHE A 55 6.406 3.950 3.138 1.00 72.43 H new ATOM 0 HE2 PHE A 55 4.286 5.145 6.640 1.00 64.43 H new ATOM 0 HZ PHE A 55 6.338 4.294 5.576 1.00 22.23 H new ATOM 866 N ARG A 56 2.084 2.036 1.816 1.00 63.11 N ATOM 867 CA ARG A 56 2.749 1.029 0.976 1.00 54.21 C ATOM 868 C ARG A 56 1.755 0.158 0.183 1.00 22.23 C ATOM 869 O ARG A 56 2.149 -0.549 -0.740 1.00 52.25 O ATOM 870 CB ARG A 56 3.644 0.134 1.850 1.00 60.42 C ATOM 871 CG ARG A 56 5.014 0.733 2.159 1.00 13.13 C ATOM 872 CD ARG A 56 5.768 -0.080 3.213 1.00 12.45 C ATOM 873 NE ARG A 56 7.216 -0.004 3.039 1.00 35.42 N ATOM 874 CZ ARG A 56 7.984 0.922 3.546 1.00 73.32 C ATOM 875 NH1 ARG A 56 7.497 1.892 4.256 1.00 15.42 N ATOM 876 NH2 ARG A 56 9.252 0.866 3.341 1.00 63.04 N ATOM 0 H ARG A 56 1.919 1.736 2.777 1.00 63.11 H new ATOM 0 HA ARG A 56 3.351 1.569 0.246 1.00 54.21 H new ATOM 0 HB2 ARG A 56 3.129 -0.070 2.789 1.00 60.42 H new ATOM 0 HB3 ARG A 56 3.783 -0.823 1.348 1.00 60.42 H new ATOM 0 HG2 ARG A 56 5.605 0.778 1.244 1.00 13.13 H new ATOM 0 HG3 ARG A 56 4.891 1.758 2.510 1.00 13.13 H new ATOM 0 HD2 ARG A 56 5.504 0.283 4.206 1.00 12.45 H new ATOM 0 HD3 ARG A 56 5.452 -1.122 3.160 1.00 12.45 H new ATOM 0 HE ARG A 56 7.662 -0.730 2.478 1.00 35.42 H new ATOM 0 HH11 ARG A 56 6.493 1.943 4.429 1.00 15.42 H new ATOM 0 HH12 ARG A 56 8.118 2.604 4.641 1.00 15.42 H new ATOM 0 HH21 ARG A 56 9.646 0.105 2.788 1.00 63.04 H new ATOM 0 HH22 ARG A 56 9.864 1.583 3.731 1.00 63.04 H new ATOM 890 N VAL A 57 0.472 0.205 0.536 1.00 12.22 N ATOM 891 CA VAL A 57 -0.532 -0.648 -0.120 1.00 41.15 C ATOM 892 C VAL A 57 -1.510 0.177 -0.977 1.00 13.24 C ATOM 893 O VAL A 57 -2.261 1.010 -0.463 1.00 0.35 O ATOM 894 CB VAL A 57 -1.328 -1.476 0.919 1.00 2.44 C ATOM 895 CG1 VAL A 57 -2.205 -2.520 0.228 1.00 34.24 C ATOM 896 CG2 VAL A 57 -0.384 -2.138 1.921 1.00 35.34 C ATOM 0 H VAL A 57 0.100 0.816 1.264 1.00 12.22 H new ATOM 0 HA VAL A 57 0.014 -1.327 -0.775 1.00 41.15 H new ATOM 0 HB VAL A 57 -1.981 -0.795 1.465 1.00 2.44 H new ATOM 0 HG11 VAL A 57 -2.754 -3.089 0.979 1.00 34.24 H new ATOM 0 HG12 VAL A 57 -2.910 -2.021 -0.436 1.00 34.24 H new ATOM 0 HG13 VAL A 57 -1.577 -3.196 -0.352 1.00 34.24 H new ATOM 0 HG21 VAL A 57 -0.964 -2.714 2.642 1.00 35.34 H new ATOM 0 HG22 VAL A 57 0.300 -2.802 1.392 1.00 35.34 H new ATOM 0 HG23 VAL A 57 0.186 -1.371 2.445 1.00 35.34 H new ATOM 906 N ILE A 58 -1.498 -0.069 -2.288 1.00 24.31 N ATOM 907 CA ILE A 58 -2.358 0.658 -3.235 1.00 63.42 C ATOM 908 C ILE A 58 -3.216 -0.304 -4.084 1.00 42.31 C ATOM 909 O ILE A 58 -3.304 -1.499 -3.801 1.00 53.41 O ATOM 910 CB ILE A 58 -1.515 1.555 -4.184 1.00 23.10 C ATOM 911 CG1 ILE A 58 -0.521 0.699 -4.992 1.00 71.44 C ATOM 912 CG2 ILE A 58 -0.788 2.646 -3.398 1.00 4.24 C ATOM 913 CD1 ILE A 58 0.255 1.476 -6.037 1.00 62.23 C ATOM 0 H ILE A 58 -0.899 -0.770 -2.724 1.00 24.31 H new ATOM 0 HA ILE A 58 -3.020 1.284 -2.636 1.00 63.42 H new ATOM 0 HB ILE A 58 -2.191 2.044 -4.885 1.00 23.10 H new ATOM 0 HG12 ILE A 58 0.184 0.232 -4.304 1.00 71.44 H new ATOM 0 HG13 ILE A 58 -1.067 -0.106 -5.484 1.00 71.44 H new ATOM 0 HG21 ILE A 58 -0.205 3.261 -4.083 1.00 4.24 H new ATOM 0 HG22 ILE A 58 -1.518 3.270 -2.882 1.00 4.24 H new ATOM 0 HG23 ILE A 58 -0.123 2.186 -2.667 1.00 4.24 H new ATOM 0 HD11 ILE A 58 0.933 0.803 -6.562 1.00 62.23 H new ATOM 0 HD12 ILE A 58 -0.439 1.921 -6.750 1.00 62.23 H new ATOM 0 HD13 ILE A 58 0.831 2.264 -5.551 1.00 62.23 H new ATOM 925 N ASN A 59 -3.871 0.235 -5.115 1.00 54.22 N ATOM 926 CA ASN A 59 -4.683 -0.571 -6.042 1.00 52.15 C ATOM 927 C ASN A 59 -3.831 -1.174 -7.175 1.00 14.11 C ATOM 928 O ASN A 59 -2.784 -0.634 -7.538 1.00 2.43 O ATOM 929 CB ASN A 59 -5.827 0.279 -6.628 1.00 1.01 C ATOM 930 CG ASN A 59 -5.399 1.687 -7.029 1.00 25.33 C ATOM 931 OD1 ASN A 59 -4.150 1.869 -7.412 1.00 22.23 O flip ATOM 932 ND2 ASN A 59 -6.192 2.617 -6.985 1.00 64.35 N flip ATOM 0 H ASN A 59 -3.857 1.231 -5.333 1.00 54.22 H new ATOM 0 HA ASN A 59 -5.107 -1.399 -5.473 1.00 52.15 H new ATOM 0 HB2 ASN A 59 -6.236 -0.230 -7.501 1.00 1.01 H new ATOM 0 HB3 ASN A 59 -6.630 0.348 -5.894 1.00 1.01 H new ATOM 0 HD21 ASN A 59 -7.153 2.454 -6.686 1.00 64.35 H new ATOM 0 HD22 ASN A 59 -5.892 3.556 -7.248 1.00 64.35 H new ATOM 939 N SER A 60 -4.312 -2.268 -7.759 1.00 70.11 N ATOM 940 CA SER A 60 -3.576 -2.990 -8.811 1.00 22.12 C ATOM 941 C SER A 60 -3.466 -2.187 -10.118 1.00 3.24 C ATOM 942 O SER A 60 -2.831 -2.633 -11.074 1.00 3.05 O ATOM 943 CB SER A 60 -4.251 -4.339 -9.090 1.00 62.13 C ATOM 944 OG SER A 60 -4.229 -5.176 -7.942 1.00 14.25 O ATOM 0 H SER A 60 -5.214 -2.682 -7.524 1.00 70.11 H new ATOM 0 HA SER A 60 -2.563 -3.145 -8.440 1.00 22.12 H new ATOM 0 HB2 SER A 60 -5.282 -4.174 -9.402 1.00 62.13 H new ATOM 0 HB3 SER A 60 -3.744 -4.838 -9.916 1.00 62.13 H new ATOM 0 HG SER A 60 -4.668 -6.027 -8.150 1.00 14.25 H new ATOM 950 N GLN A 61 -4.087 -1.006 -10.162 1.00 54.24 N ATOM 951 CA GLN A 61 -4.027 -0.142 -11.352 1.00 30.35 C ATOM 952 C GLN A 61 -2.708 0.654 -11.433 1.00 61.42 C ATOM 953 O GLN A 61 -2.439 1.322 -12.433 1.00 65.55 O ATOM 954 CB GLN A 61 -5.223 0.823 -11.361 1.00 12.20 C ATOM 955 CG GLN A 61 -6.591 0.135 -11.376 1.00 42.03 C ATOM 956 CD GLN A 61 -6.869 -0.652 -12.654 1.00 61.32 C ATOM 957 OE1 GLN A 61 -5.968 -1.186 -13.295 1.00 10.00 O ATOM 958 NE2 GLN A 61 -8.125 -0.730 -13.039 1.00 61.00 N ATOM 0 H GLN A 61 -4.636 -0.624 -9.392 1.00 54.24 H new ATOM 0 HA GLN A 61 -4.069 -0.791 -12.227 1.00 30.35 H new ATOM 0 HB2 GLN A 61 -5.163 1.465 -10.482 1.00 12.20 H new ATOM 0 HB3 GLN A 61 -5.146 1.470 -12.235 1.00 12.20 H new ATOM 0 HG2 GLN A 61 -6.658 -0.540 -10.523 1.00 42.03 H new ATOM 0 HG3 GLN A 61 -7.368 0.889 -11.248 1.00 42.03 H new ATOM 0 HE21 GLN A 61 -8.856 -0.278 -12.490 1.00 61.00 H new ATOM 0 HE22 GLN A 61 -8.368 -1.243 -13.887 1.00 61.00 H new ATOM 967 N GLY A 62 -1.893 0.580 -10.379 1.00 53.42 N ATOM 968 CA GLY A 62 -0.610 1.285 -10.359 1.00 24.21 C ATOM 969 C GLY A 62 -0.734 2.777 -10.051 1.00 23.31 C ATOM 970 O GLY A 62 0.060 3.589 -10.531 1.00 65.32 O ATOM 0 H GLY A 62 -2.096 0.044 -9.535 1.00 53.42 H new ATOM 0 HA2 GLY A 62 0.038 0.822 -9.614 1.00 24.21 H new ATOM 0 HA3 GLY A 62 -0.123 1.162 -11.326 1.00 24.21 H new ATOM 974 N LYS A 63 -1.728 3.138 -9.242 1.00 41.24 N ATOM 975 CA LYS A 63 -1.960 4.545 -8.870 1.00 15.34 C ATOM 976 C LYS A 63 -2.136 4.708 -7.358 1.00 31.03 C ATOM 977 O LYS A 63 -2.357 3.734 -6.639 1.00 32.45 O ATOM 978 CB LYS A 63 -3.212 5.091 -9.571 1.00 11.33 C ATOM 979 CG LYS A 63 -3.096 5.184 -11.086 1.00 61.13 C ATOM 980 CD LYS A 63 -4.397 5.686 -11.709 1.00 22.33 C ATOM 981 CE LYS A 63 -4.299 5.807 -13.224 1.00 13.11 C ATOM 982 NZ LYS A 63 -5.565 6.313 -13.813 1.00 34.32 N ATOM 0 H LYS A 63 -2.389 2.481 -8.828 1.00 41.24 H new ATOM 0 HA LYS A 63 -1.081 5.105 -9.187 1.00 15.34 H new ATOM 0 HB2 LYS A 63 -4.060 4.453 -9.322 1.00 11.33 H new ATOM 0 HB3 LYS A 63 -3.432 6.082 -9.174 1.00 11.33 H new ATOM 0 HG2 LYS A 63 -2.280 5.856 -11.350 1.00 61.13 H new ATOM 0 HG3 LYS A 63 -2.848 4.205 -11.495 1.00 61.13 H new ATOM 0 HD2 LYS A 63 -5.208 5.004 -11.452 1.00 22.33 H new ATOM 0 HD3 LYS A 63 -4.651 6.657 -11.284 1.00 22.33 H new ATOM 0 HE2 LYS A 63 -3.481 6.479 -13.484 1.00 13.11 H new ATOM 0 HE3 LYS A 63 -4.060 4.834 -13.653 1.00 13.11 H new ATOM 0 HZ1 LYS A 63 -5.464 6.383 -14.846 1.00 34.32 H new ATOM 0 HZ2 LYS A 63 -6.340 5.658 -13.585 1.00 34.32 H new ATOM 0 HZ3 LYS A 63 -5.779 7.252 -13.421 1.00 34.32 H new ATOM 996 N ILE A 64 -2.057 5.948 -6.892 1.00 1.15 N ATOM 997 CA ILE A 64 -2.348 6.268 -5.493 1.00 2.24 C ATOM 998 C ILE A 64 -3.865 6.252 -5.244 1.00 43.20 C ATOM 999 O ILE A 64 -4.607 7.060 -5.806 1.00 23.12 O ATOM 1000 CB ILE A 64 -1.768 7.652 -5.094 1.00 63.25 C ATOM 1001 CG1 ILE A 64 -0.230 7.642 -5.198 1.00 51.41 C ATOM 1002 CG2 ILE A 64 -2.213 8.049 -3.684 1.00 63.12 C ATOM 1003 CD1 ILE A 64 0.422 8.943 -4.775 1.00 22.12 C ATOM 0 H ILE A 64 -1.794 6.753 -7.461 1.00 1.15 H new ATOM 0 HA ILE A 64 -1.871 5.506 -4.876 1.00 2.24 H new ATOM 0 HB ILE A 64 -2.157 8.396 -5.789 1.00 63.25 H new ATOM 0 HG12 ILE A 64 0.161 6.833 -4.580 1.00 51.41 H new ATOM 0 HG13 ILE A 64 0.053 7.423 -6.227 1.00 51.41 H new ATOM 0 HG21 ILE A 64 -1.793 9.022 -3.430 1.00 63.12 H new ATOM 0 HG22 ILE A 64 -3.301 8.103 -3.648 1.00 63.12 H new ATOM 0 HG23 ILE A 64 -1.863 7.305 -2.969 1.00 63.12 H new ATOM 0 HD11 ILE A 64 1.504 8.858 -4.876 1.00 22.12 H new ATOM 0 HD12 ILE A 64 0.061 9.754 -5.408 1.00 22.12 H new ATOM 0 HD13 ILE A 64 0.170 9.155 -3.736 1.00 22.12 H new ATOM 1015 N SER A 65 -4.316 5.318 -4.410 1.00 73.10 N ATOM 1016 CA SER A 65 -5.750 5.147 -4.125 1.00 12.14 C ATOM 1017 C SER A 65 -6.334 6.322 -3.326 1.00 14.44 C ATOM 1018 O SER A 65 -7.547 6.534 -3.320 1.00 45.44 O ATOM 1019 CB SER A 65 -5.987 3.839 -3.359 1.00 74.24 C ATOM 1020 OG SER A 65 -5.551 2.719 -4.113 1.00 50.13 O ATOM 0 H SER A 65 -3.711 4.663 -3.915 1.00 73.10 H new ATOM 0 HA SER A 65 -6.262 5.114 -5.087 1.00 12.14 H new ATOM 0 HB2 SER A 65 -5.456 3.870 -2.408 1.00 74.24 H new ATOM 0 HB3 SER A 65 -7.047 3.736 -3.129 1.00 74.24 H new ATOM 0 HG SER A 65 -4.854 2.241 -3.616 1.00 50.13 H new ATOM 1026 N LEU A 66 -5.472 7.071 -2.647 1.00 55.02 N ATOM 1027 CA LEU A 66 -5.907 8.229 -1.856 1.00 73.01 C ATOM 1028 C LEU A 66 -5.821 9.530 -2.670 1.00 14.34 C ATOM 1029 O LEU A 66 -4.878 9.732 -3.432 1.00 41.13 O ATOM 1030 CB LEU A 66 -5.055 8.343 -0.587 1.00 72.21 C ATOM 1031 CG LEU A 66 -5.133 7.137 0.364 1.00 21.32 C ATOM 1032 CD1 LEU A 66 -4.240 7.350 1.583 1.00 52.15 C ATOM 1033 CD2 LEU A 66 -6.578 6.877 0.794 1.00 41.24 C ATOM 0 H LEU A 66 -4.466 6.901 -2.625 1.00 55.02 H new ATOM 0 HA LEU A 66 -6.950 8.077 -1.580 1.00 73.01 H new ATOM 0 HB2 LEU A 66 -4.015 8.489 -0.879 1.00 72.21 H new ATOM 0 HB3 LEU A 66 -5.361 9.236 -0.042 1.00 72.21 H new ATOM 0 HG LEU A 66 -4.774 6.259 -0.173 1.00 21.32 H new ATOM 0 HD11 LEU A 66 -4.311 6.485 2.242 1.00 52.15 H new ATOM 0 HD12 LEU A 66 -3.207 7.476 1.260 1.00 52.15 H new ATOM 0 HD13 LEU A 66 -4.563 8.242 2.120 1.00 52.15 H new ATOM 0 HD21 LEU A 66 -6.609 6.020 1.466 1.00 41.24 H new ATOM 0 HD22 LEU A 66 -6.968 7.755 1.308 1.00 41.24 H new ATOM 0 HD23 LEU A 66 -7.188 6.671 -0.086 1.00 41.24 H new ATOM 1045 N LYS A 67 -6.804 10.415 -2.503 1.00 14.13 N ATOM 1046 CA LYS A 67 -6.847 11.672 -3.257 1.00 12.14 C ATOM 1047 C LYS A 67 -6.964 12.888 -2.317 1.00 72.24 C ATOM 1048 O LYS A 67 -7.411 12.766 -1.174 1.00 53.24 O ATOM 1049 CB LYS A 67 -8.026 11.647 -4.248 1.00 2.34 C ATOM 1050 CG LYS A 67 -7.933 12.709 -5.338 1.00 42.33 C ATOM 1051 CD LYS A 67 -6.720 12.477 -6.240 1.00 42.11 C ATOM 1052 CE LYS A 67 -6.548 13.577 -7.285 1.00 21.44 C ATOM 1053 NZ LYS A 67 -7.710 13.662 -8.205 1.00 73.14 N ATOM 0 H LYS A 67 -7.581 10.287 -1.854 1.00 14.13 H new ATOM 0 HA LYS A 67 -5.913 11.769 -3.810 1.00 12.14 H new ATOM 0 HB2 LYS A 67 -8.076 10.663 -4.715 1.00 2.34 H new ATOM 0 HB3 LYS A 67 -8.956 11.786 -3.696 1.00 2.34 H new ATOM 0 HG2 LYS A 67 -8.843 12.697 -5.938 1.00 42.33 H new ATOM 0 HG3 LYS A 67 -7.865 13.696 -4.881 1.00 42.33 H new ATOM 0 HD2 LYS A 67 -5.821 12.420 -5.626 1.00 42.11 H new ATOM 0 HD3 LYS A 67 -6.824 11.516 -6.743 1.00 42.11 H new ATOM 0 HE2 LYS A 67 -6.413 14.535 -6.783 1.00 21.44 H new ATOM 0 HE3 LYS A 67 -5.643 13.389 -7.862 1.00 21.44 H new ATOM 0 HZ1 LYS A 67 -7.514 14.363 -8.948 1.00 73.14 H new ATOM 0 HZ2 LYS A 67 -7.876 12.733 -8.641 1.00 73.14 H new ATOM 0 HZ3 LYS A 67 -8.555 13.950 -7.671 1.00 73.14 H new ATOM 1067 N GLY A 68 -6.557 14.061 -2.805 1.00 50.52 N ATOM 1068 CA GLY A 68 -6.595 15.273 -1.992 1.00 54.22 C ATOM 1069 C GLY A 68 -5.426 15.360 -1.017 1.00 21.52 C ATOM 1070 O GLY A 68 -4.289 15.055 -1.383 1.00 23.44 O ATOM 0 H GLY A 68 -6.200 14.195 -3.751 1.00 50.52 H new ATOM 0 HA2 GLY A 68 -6.584 16.145 -2.646 1.00 54.22 H new ATOM 0 HA3 GLY A 68 -7.531 15.304 -1.435 1.00 54.22 H new ATOM 1074 N ARG A 69 -5.698 15.766 0.223 1.00 35.02 N ATOM 1075 CA ARG A 69 -4.657 15.822 1.260 1.00 64.21 C ATOM 1076 C ARG A 69 -4.051 14.433 1.505 1.00 12.41 C ATOM 1077 O ARG A 69 -2.874 14.295 1.847 1.00 24.12 O ATOM 1078 CB ARG A 69 -5.233 16.362 2.573 1.00 21.14 C ATOM 1079 CG ARG A 69 -5.860 17.747 2.460 1.00 3.03 C ATOM 1080 CD ARG A 69 -6.425 18.206 3.800 1.00 31.52 C ATOM 1081 NE ARG A 69 -7.333 17.213 4.370 1.00 22.31 N ATOM 1082 CZ ARG A 69 -7.636 17.126 5.636 1.00 43.02 C ATOM 1083 NH1 ARG A 69 -7.177 17.987 6.486 1.00 42.40 N ATOM 1084 NH2 ARG A 69 -8.407 16.175 6.041 1.00 25.32 N ATOM 0 H ARG A 69 -6.623 16.060 0.537 1.00 35.02 H new ATOM 0 HA ARG A 69 -3.874 16.493 0.906 1.00 64.21 H new ATOM 0 HB2 ARG A 69 -5.985 15.664 2.940 1.00 21.14 H new ATOM 0 HB3 ARG A 69 -4.438 16.395 3.318 1.00 21.14 H new ATOM 0 HG2 ARG A 69 -5.112 18.461 2.114 1.00 3.03 H new ATOM 0 HG3 ARG A 69 -6.654 17.730 1.714 1.00 3.03 H new ATOM 0 HD2 ARG A 69 -5.607 18.393 4.495 1.00 31.52 H new ATOM 0 HD3 ARG A 69 -6.954 19.150 3.668 1.00 31.52 H new ATOM 0 HE ARG A 69 -7.760 16.540 3.733 1.00 22.31 H new ATOM 0 HH11 ARG A 69 -6.571 18.744 6.169 1.00 42.40 H new ATOM 0 HH12 ARG A 69 -7.421 17.909 7.473 1.00 42.40 H new ATOM 0 HH21 ARG A 69 -8.775 15.498 5.373 1.00 25.32 H new ATOM 0 HH22 ARG A 69 -8.649 16.100 7.029 1.00 25.32 H new ATOM 1098 N ASP A 70 -4.874 13.405 1.332 1.00 23.23 N ATOM 1099 CA ASP A 70 -4.446 12.022 1.517 1.00 24.51 C ATOM 1100 C ASP A 70 -3.461 11.577 0.421 1.00 31.31 C ATOM 1101 O ASP A 70 -2.711 10.617 0.601 1.00 2.42 O ATOM 1102 CB ASP A 70 -5.676 11.120 1.554 1.00 54.04 C ATOM 1103 CG ASP A 70 -6.614 11.503 2.685 1.00 13.22 C ATOM 1104 OD1 ASP A 70 -7.387 12.473 2.519 1.00 35.13 O ATOM 1105 OD2 ASP A 70 -6.562 10.860 3.753 1.00 71.45 O ATOM 0 H ASP A 70 -5.852 13.505 1.061 1.00 23.23 H new ATOM 0 HA ASP A 70 -3.912 11.944 2.464 1.00 24.51 H new ATOM 0 HB2 ASP A 70 -6.205 11.186 0.603 1.00 54.04 H new ATOM 0 HB3 ASP A 70 -5.364 10.083 1.674 1.00 54.04 H new ATOM 1110 N LEU A 71 -3.447 12.298 -0.700 1.00 41.13 N ATOM 1111 CA LEU A 71 -2.528 11.995 -1.803 1.00 5.32 C ATOM 1112 C LEU A 71 -1.105 12.470 -1.464 1.00 13.13 C ATOM 1113 O LEU A 71 -0.161 11.679 -1.474 1.00 42.23 O ATOM 1114 CB LEU A 71 -3.025 12.651 -3.109 1.00 53.40 C ATOM 1115 CG LEU A 71 -2.383 12.143 -4.424 1.00 51.11 C ATOM 1116 CD1 LEU A 71 -3.194 12.613 -5.626 1.00 72.21 C ATOM 1117 CD2 LEU A 71 -0.933 12.607 -4.568 1.00 20.10 C ATOM 0 H LEU A 71 -4.060 13.095 -0.871 1.00 41.13 H new ATOM 0 HA LEU A 71 -2.502 10.915 -1.948 1.00 5.32 H new ATOM 0 HB2 LEU A 71 -4.103 12.504 -3.176 1.00 53.40 H new ATOM 0 HB3 LEU A 71 -2.854 13.725 -3.038 1.00 53.40 H new ATOM 0 HG LEU A 71 -2.385 11.054 -4.385 1.00 51.11 H new ATOM 0 HD11 LEU A 71 -2.731 12.248 -6.543 1.00 72.21 H new ATOM 0 HD12 LEU A 71 -4.210 12.225 -5.554 1.00 72.21 H new ATOM 0 HD13 LEU A 71 -3.222 13.703 -5.642 1.00 72.21 H new ATOM 0 HD21 LEU A 71 -0.521 12.229 -5.504 1.00 20.10 H new ATOM 0 HD22 LEU A 71 -0.898 13.696 -4.570 1.00 20.10 H new ATOM 0 HD23 LEU A 71 -0.345 12.227 -3.733 1.00 20.10 H new ATOM 1129 N ASP A 72 -0.958 13.763 -1.160 1.00 22.10 N ATOM 1130 CA ASP A 72 0.363 14.338 -0.875 1.00 62.03 C ATOM 1131 C ASP A 72 1.031 13.673 0.341 1.00 12.44 C ATOM 1132 O ASP A 72 2.229 13.377 0.309 1.00 24.22 O ATOM 1133 CB ASP A 72 0.268 15.860 -0.680 1.00 40.11 C ATOM 1134 CG ASP A 72 -0.772 16.259 0.349 1.00 31.21 C ATOM 1135 OD1 ASP A 72 -0.444 16.304 1.557 1.00 23.44 O ATOM 1136 OD2 ASP A 72 -1.922 16.530 -0.046 1.00 60.10 O ATOM 0 H ASP A 72 -1.730 14.428 -1.105 1.00 22.10 H new ATOM 0 HA ASP A 72 0.994 14.139 -1.741 1.00 62.03 H new ATOM 0 HB2 ASP A 72 1.241 16.243 -0.373 1.00 40.11 H new ATOM 0 HB3 ASP A 72 0.027 16.329 -1.634 1.00 40.11 H new ATOM 1141 N ARG A 73 0.261 13.421 1.405 1.00 70.01 N ATOM 1142 CA ARG A 73 0.806 12.743 2.589 1.00 61.11 C ATOM 1143 C ARG A 73 1.363 11.355 2.230 1.00 44.21 C ATOM 1144 O ARG A 73 2.487 11.020 2.603 1.00 74.51 O ATOM 1145 CB ARG A 73 -0.238 12.629 3.718 1.00 24.25 C ATOM 1146 CG ARG A 73 -1.498 11.859 3.339 1.00 22.43 C ATOM 1147 CD ARG A 73 -2.418 11.624 4.538 1.00 23.41 C ATOM 1148 NE ARG A 73 -2.786 12.866 5.217 1.00 23.52 N ATOM 1149 CZ ARG A 73 -3.990 13.148 5.644 1.00 44.51 C ATOM 1150 NH1 ARG A 73 -4.984 12.349 5.415 1.00 63.23 N ATOM 1151 NH2 ARG A 73 -4.201 14.246 6.294 1.00 32.40 N ATOM 0 H ARG A 73 -0.726 13.671 1.473 1.00 70.01 H new ATOM 0 HA ARG A 73 1.627 13.359 2.956 1.00 61.11 H new ATOM 0 HB2 ARG A 73 0.225 12.142 4.576 1.00 24.25 H new ATOM 0 HB3 ARG A 73 -0.522 13.632 4.035 1.00 24.25 H new ATOM 0 HG2 ARG A 73 -2.040 12.410 2.570 1.00 22.43 H new ATOM 0 HG3 ARG A 73 -1.218 10.899 2.905 1.00 22.43 H new ATOM 0 HD2 ARG A 73 -3.322 11.116 4.203 1.00 23.41 H new ATOM 0 HD3 ARG A 73 -1.923 10.960 5.246 1.00 23.41 H new ATOM 0 HE ARG A 73 -2.054 13.560 5.368 1.00 23.52 H new ATOM 0 HH11 ARG A 73 -4.834 11.485 4.895 1.00 63.23 H new ATOM 0 HH12 ARG A 73 -5.916 12.584 5.755 1.00 63.23 H new ATOM 0 HH21 ARG A 73 -3.430 14.889 6.472 1.00 32.40 H new ATOM 0 HH22 ARG A 73 -5.139 14.469 6.628 1.00 32.40 H new ATOM 1165 N GLN A 74 0.590 10.560 1.483 1.00 43.12 N ATOM 1166 CA GLN A 74 1.045 9.230 1.056 1.00 65.22 C ATOM 1167 C GLN A 74 2.255 9.333 0.116 1.00 3.00 C ATOM 1168 O GLN A 74 3.218 8.571 0.242 1.00 20.25 O ATOM 1169 CB GLN A 74 -0.098 8.451 0.378 1.00 65.34 C ATOM 1170 CG GLN A 74 0.342 7.131 -0.261 1.00 23.44 C ATOM 1171 CD GLN A 74 -0.822 6.232 -0.652 1.00 33.33 C ATOM 1172 OE1 GLN A 74 -1.919 6.693 -0.938 1.00 44.45 O ATOM 1173 NE2 GLN A 74 -0.585 4.935 -0.686 1.00 34.12 N ATOM 0 H GLN A 74 -0.346 10.810 1.163 1.00 43.12 H new ATOM 0 HA GLN A 74 1.354 8.684 1.947 1.00 65.22 H new ATOM 0 HB2 GLN A 74 -0.872 8.245 1.117 1.00 65.34 H new ATOM 0 HB3 GLN A 74 -0.549 9.081 -0.388 1.00 65.34 H new ATOM 0 HG2 GLN A 74 0.939 7.346 -1.147 1.00 23.44 H new ATOM 0 HG3 GLN A 74 0.987 6.596 0.436 1.00 23.44 H new ATOM 0 HE21 GLN A 74 0.339 4.579 -0.442 1.00 34.12 H new ATOM 0 HE22 GLN A 74 -1.326 4.288 -0.956 1.00 34.12 H new ATOM 1182 N LYS A 75 2.211 10.295 -0.806 1.00 73.21 N ATOM 1183 CA LYS A 75 3.304 10.501 -1.759 1.00 43.52 C ATOM 1184 C LYS A 75 4.634 10.772 -1.042 1.00 52.54 C ATOM 1185 O LYS A 75 5.619 10.079 -1.279 1.00 1.14 O ATOM 1186 CB LYS A 75 2.988 11.664 -2.715 1.00 63.40 C ATOM 1187 CG LYS A 75 4.022 11.831 -3.829 1.00 61.41 C ATOM 1188 CD LYS A 75 3.724 13.033 -4.723 1.00 3.04 C ATOM 1189 CE LYS A 75 4.652 13.085 -5.936 1.00 53.23 C ATOM 1190 NZ LYS A 75 6.089 13.107 -5.550 1.00 22.31 N ATOM 0 H LYS A 75 1.431 10.944 -0.914 1.00 73.21 H new ATOM 0 HA LYS A 75 3.403 9.581 -2.335 1.00 43.52 H new ATOM 0 HB2 LYS A 75 2.007 11.502 -3.161 1.00 63.40 H new ATOM 0 HB3 LYS A 75 2.929 12.590 -2.142 1.00 63.40 H new ATOM 0 HG2 LYS A 75 5.012 11.946 -3.388 1.00 61.41 H new ATOM 0 HG3 LYS A 75 4.047 10.927 -4.437 1.00 61.41 H new ATOM 0 HD2 LYS A 75 2.688 12.987 -5.060 1.00 3.04 H new ATOM 0 HD3 LYS A 75 3.831 13.951 -4.145 1.00 3.04 H new ATOM 0 HE2 LYS A 75 4.463 12.220 -6.572 1.00 53.23 H new ATOM 0 HE3 LYS A 75 4.424 13.972 -6.527 1.00 53.23 H new ATOM 0 HZ1 LYS A 75 6.638 13.599 -6.284 1.00 22.31 H new ATOM 0 HZ2 LYS A 75 6.197 13.606 -4.644 1.00 22.31 H new ATOM 0 HZ3 LYS A 75 6.437 12.132 -5.452 1.00 22.31 H new ATOM 1204 N GLN A 76 4.652 11.769 -0.153 1.00 61.24 N ATOM 1205 CA GLN A 76 5.885 12.151 0.551 1.00 45.33 C ATOM 1206 C GLN A 76 6.435 11.009 1.426 1.00 71.42 C ATOM 1207 O GLN A 76 7.651 10.884 1.594 1.00 32.14 O ATOM 1208 CB GLN A 76 5.673 13.423 1.389 1.00 53.32 C ATOM 1209 CG GLN A 76 4.575 13.316 2.441 1.00 45.34 C ATOM 1210 CD GLN A 76 4.400 14.601 3.236 1.00 14.21 C ATOM 1211 OE1 GLN A 76 4.671 15.692 2.745 1.00 4.14 O ATOM 1212 NE2 GLN A 76 3.943 14.488 4.468 1.00 53.13 N ATOM 0 H GLN A 76 3.834 12.325 0.097 1.00 61.24 H new ATOM 0 HA GLN A 76 6.632 12.361 -0.214 1.00 45.33 H new ATOM 0 HB2 GLN A 76 6.610 13.675 1.886 1.00 53.32 H new ATOM 0 HB3 GLN A 76 5.436 14.249 0.718 1.00 53.32 H new ATOM 0 HG2 GLN A 76 3.633 13.063 1.954 1.00 45.34 H new ATOM 0 HG3 GLN A 76 4.809 12.500 3.124 1.00 45.34 H new ATOM 0 HE21 GLN A 76 3.726 13.567 4.849 1.00 53.13 H new ATOM 0 HE22 GLN A 76 3.806 15.322 5.040 1.00 53.13 H new ATOM 1221 N LYS A 77 5.550 10.170 1.976 1.00 3.11 N ATOM 1222 CA LYS A 77 5.996 8.983 2.719 1.00 12.31 C ATOM 1223 C LYS A 77 6.819 8.062 1.802 1.00 31.42 C ATOM 1224 O LYS A 77 7.892 7.579 2.178 1.00 54.23 O ATOM 1225 CB LYS A 77 4.805 8.195 3.286 1.00 12.53 C ATOM 1226 CG LYS A 77 3.887 8.970 4.236 1.00 64.13 C ATOM 1227 CD LYS A 77 4.598 9.487 5.492 1.00 60.51 C ATOM 1228 CE LYS A 77 5.169 10.890 5.298 1.00 14.20 C ATOM 1229 NZ LYS A 77 5.747 11.436 6.552 1.00 1.43 N ATOM 0 H LYS A 77 4.538 10.286 1.924 1.00 3.11 H new ATOM 0 HA LYS A 77 6.612 9.327 3.549 1.00 12.31 H new ATOM 0 HB2 LYS A 77 4.207 7.827 2.452 1.00 12.53 H new ATOM 0 HB3 LYS A 77 5.189 7.322 3.813 1.00 12.53 H new ATOM 0 HG2 LYS A 77 3.454 9.815 3.700 1.00 64.13 H new ATOM 0 HG3 LYS A 77 3.061 8.325 4.536 1.00 64.13 H new ATOM 0 HD2 LYS A 77 3.897 9.495 6.327 1.00 60.51 H new ATOM 0 HD3 LYS A 77 5.404 8.803 5.759 1.00 60.51 H new ATOM 0 HE2 LYS A 77 5.938 10.864 4.526 1.00 14.20 H new ATOM 0 HE3 LYS A 77 4.382 11.555 4.942 1.00 14.20 H new ATOM 0 HZ1 LYS A 77 6.123 12.389 6.375 1.00 1.43 H new ATOM 0 HZ2 LYS A 77 5.008 11.485 7.282 1.00 1.43 H new ATOM 0 HZ3 LYS A 77 6.516 10.816 6.879 1.00 1.43 H new ATOM 1243 N LEU A 78 6.300 7.836 0.597 1.00 25.34 N ATOM 1244 CA LEU A 78 6.981 7.019 -0.414 1.00 43.42 C ATOM 1245 C LEU A 78 8.273 7.697 -0.895 1.00 62.21 C ATOM 1246 O LEU A 78 9.312 7.046 -1.049 1.00 40.21 O ATOM 1247 CB LEU A 78 6.042 6.775 -1.602 1.00 63.43 C ATOM 1248 CG LEU A 78 4.708 6.091 -1.254 1.00 2.31 C ATOM 1249 CD1 LEU A 78 3.792 6.033 -2.473 1.00 22.14 C ATOM 1250 CD2 LEU A 78 4.948 4.692 -0.692 1.00 54.11 C ATOM 0 H LEU A 78 5.401 8.210 0.292 1.00 25.34 H new ATOM 0 HA LEU A 78 7.249 6.065 0.039 1.00 43.42 H new ATOM 0 HB2 LEU A 78 5.828 7.732 -2.078 1.00 63.43 H new ATOM 0 HB3 LEU A 78 6.564 6.163 -2.338 1.00 63.43 H new ATOM 0 HG LEU A 78 4.213 6.687 -0.487 1.00 2.31 H new ATOM 0 HD11 LEU A 78 2.856 5.545 -2.202 1.00 22.14 H new ATOM 0 HD12 LEU A 78 3.586 7.045 -2.822 1.00 22.14 H new ATOM 0 HD13 LEU A 78 4.279 5.467 -3.267 1.00 22.14 H new ATOM 0 HD21 LEU A 78 3.992 4.227 -0.453 1.00 54.11 H new ATOM 0 HD22 LEU A 78 5.471 4.087 -1.433 1.00 54.11 H new ATOM 0 HD23 LEU A 78 5.553 4.762 0.212 1.00 54.11 H new ATOM 1262 N GLU A 79 8.199 9.009 -1.127 1.00 3.01 N ATOM 1263 CA GLU A 79 9.371 9.808 -1.503 1.00 65.11 C ATOM 1264 C GLU A 79 10.511 9.609 -0.492 1.00 54.13 C ATOM 1265 O GLU A 79 11.676 9.476 -0.870 1.00 42.20 O ATOM 1266 CB GLU A 79 9.000 11.298 -1.581 1.00 34.10 C ATOM 1267 CG GLU A 79 7.960 11.637 -2.652 1.00 22.41 C ATOM 1268 CD GLU A 79 8.467 11.454 -4.077 1.00 74.42 C ATOM 1269 OE1 GLU A 79 9.630 11.815 -4.352 1.00 22.41 O ATOM 1270 OE2 GLU A 79 7.697 10.966 -4.931 1.00 25.42 O ATOM 0 H GLU A 79 7.334 9.545 -1.061 1.00 3.01 H new ATOM 0 HA GLU A 79 9.710 9.473 -2.483 1.00 65.11 H new ATOM 0 HB2 GLU A 79 8.620 11.616 -0.610 1.00 34.10 H new ATOM 0 HB3 GLU A 79 9.904 11.875 -1.775 1.00 34.10 H new ATOM 0 HG2 GLU A 79 7.082 11.009 -2.505 1.00 22.41 H new ATOM 0 HG3 GLU A 79 7.639 12.670 -2.520 1.00 22.41 H new ATOM 1277 N ALA A 80 10.158 9.570 0.795 1.00 24.42 N ATOM 1278 CA ALA A 80 11.130 9.309 1.865 1.00 25.34 C ATOM 1279 C ALA A 80 11.759 7.909 1.725 1.00 64.14 C ATOM 1280 O ALA A 80 12.955 7.727 1.962 1.00 32.20 O ATOM 1281 CB ALA A 80 10.468 9.462 3.231 1.00 33.12 C ATOM 0 H ALA A 80 9.204 9.716 1.124 1.00 24.42 H new ATOM 0 HA ALA A 80 11.931 10.043 1.776 1.00 25.34 H new ATOM 0 HB1 ALA A 80 11.200 9.266 4.014 1.00 33.12 H new ATOM 0 HB2 ALA A 80 10.085 10.477 3.338 1.00 33.12 H new ATOM 0 HB3 ALA A 80 9.645 8.753 3.318 1.00 33.12 H new ATOM 1287 N GLU A 81 10.946 6.931 1.318 1.00 35.14 N ATOM 1288 CA GLU A 81 11.424 5.559 1.081 1.00 11.54 C ATOM 1289 C GLU A 81 12.340 5.497 -0.155 1.00 74.53 C ATOM 1290 O GLU A 81 13.146 4.576 -0.306 1.00 12.14 O ATOM 1291 CB GLU A 81 10.229 4.607 0.879 1.00 73.24 C ATOM 1292 CG GLU A 81 9.262 4.534 2.063 1.00 24.33 C ATOM 1293 CD GLU A 81 9.862 3.882 3.303 1.00 22.14 C ATOM 1294 OE1 GLU A 81 10.808 3.079 3.170 1.00 13.20 O ATOM 1295 OE2 GLU A 81 9.359 4.141 4.416 1.00 14.53 O ATOM 0 H GLU A 81 9.949 7.061 1.144 1.00 35.14 H new ATOM 0 HA GLU A 81 11.996 5.249 1.956 1.00 11.54 H new ATOM 0 HB2 GLU A 81 9.676 4.923 -0.005 1.00 73.24 H new ATOM 0 HB3 GLU A 81 10.610 3.606 0.676 1.00 73.24 H new ATOM 0 HG2 GLU A 81 8.934 5.542 2.316 1.00 24.33 H new ATOM 0 HG3 GLU A 81 8.375 3.976 1.763 1.00 24.33 H new ATOM 1302 N GLY A 82 12.207 6.490 -1.034 1.00 4.14 N ATOM 1303 CA GLY A 82 12.976 6.522 -2.274 1.00 2.22 C ATOM 1304 C GLY A 82 12.181 6.006 -3.470 1.00 42.21 C ATOM 1305 O GLY A 82 12.753 5.565 -4.466 1.00 14.11 O ATOM 0 H GLY A 82 11.575 7.281 -0.909 1.00 4.14 H new ATOM 0 HA2 GLY A 82 13.299 7.544 -2.471 1.00 2.22 H new ATOM 0 HA3 GLY A 82 13.877 5.920 -2.154 1.00 2.22 H new ATOM 1309 N ILE A 83 10.853 6.063 -3.369 1.00 63.45 N ATOM 1310 CA ILE A 83 9.968 5.565 -4.429 1.00 15.35 C ATOM 1311 C ILE A 83 9.589 6.678 -5.422 1.00 11.41 C ATOM 1312 O ILE A 83 9.128 7.752 -5.031 1.00 63.44 O ATOM 1313 CB ILE A 83 8.682 4.941 -3.828 1.00 51.31 C ATOM 1314 CG1 ILE A 83 9.054 3.759 -2.913 1.00 41.22 C ATOM 1315 CG2 ILE A 83 7.717 4.499 -4.935 1.00 31.22 C ATOM 1316 CD1 ILE A 83 7.867 3.093 -2.249 1.00 34.43 C ATOM 0 H ILE A 83 10.363 6.450 -2.563 1.00 63.45 H new ATOM 0 HA ILE A 83 10.519 4.796 -4.970 1.00 15.35 H new ATOM 0 HB ILE A 83 8.171 5.697 -3.232 1.00 51.31 H new ATOM 0 HG12 ILE A 83 9.593 3.015 -3.500 1.00 41.22 H new ATOM 0 HG13 ILE A 83 9.737 4.112 -2.141 1.00 41.22 H new ATOM 0 HG21 ILE A 83 6.823 4.065 -4.487 1.00 31.22 H new ATOM 0 HG22 ILE A 83 7.437 5.362 -5.540 1.00 31.22 H new ATOM 0 HG23 ILE A 83 8.204 3.756 -5.567 1.00 31.22 H new ATOM 0 HD11 ILE A 83 8.214 2.271 -1.622 1.00 34.43 H new ATOM 0 HD12 ILE A 83 7.339 3.821 -1.633 1.00 34.43 H new ATOM 0 HD13 ILE A 83 7.192 2.707 -3.013 1.00 34.43 H new ATOM 1328 N GLU A 84 9.806 6.416 -6.708 1.00 61.43 N ATOM 1329 CA GLU A 84 9.459 7.358 -7.776 1.00 13.04 C ATOM 1330 C GLU A 84 7.938 7.409 -8.022 1.00 53.11 C ATOM 1331 O GLU A 84 7.379 6.571 -8.736 1.00 64.33 O ATOM 1332 CB GLU A 84 10.195 6.955 -9.066 1.00 60.12 C ATOM 1333 CG GLU A 84 9.835 7.789 -10.293 1.00 25.45 C ATOM 1334 CD GLU A 84 10.555 7.319 -11.550 1.00 52.35 C ATOM 1335 OE1 GLU A 84 10.256 6.203 -12.034 1.00 22.40 O ATOM 1336 OE2 GLU A 84 11.421 8.061 -12.063 1.00 34.21 O ATOM 0 H GLU A 84 10.226 5.548 -7.042 1.00 61.43 H new ATOM 0 HA GLU A 84 9.770 8.356 -7.468 1.00 13.04 H new ATOM 0 HB2 GLU A 84 11.269 7.031 -8.894 1.00 60.12 H new ATOM 0 HB3 GLU A 84 9.979 5.908 -9.279 1.00 60.12 H new ATOM 0 HG2 GLU A 84 8.758 7.743 -10.456 1.00 25.45 H new ATOM 0 HG3 GLU A 84 10.084 8.833 -10.104 1.00 25.45 H new ATOM 1343 N VAL A 85 7.267 8.382 -7.405 1.00 45.35 N ATOM 1344 CA VAL A 85 5.838 8.604 -7.649 1.00 32.41 C ATOM 1345 C VAL A 85 5.635 9.542 -8.851 1.00 34.03 C ATOM 1346 O VAL A 85 6.057 10.699 -8.822 1.00 55.40 O ATOM 1347 CB VAL A 85 5.138 9.206 -6.407 1.00 43.31 C ATOM 1348 CG1 VAL A 85 3.633 9.328 -6.641 1.00 51.35 C ATOM 1349 CG2 VAL A 85 5.431 8.371 -5.158 1.00 74.52 C ATOM 0 H VAL A 85 7.686 9.027 -6.735 1.00 45.35 H new ATOM 0 HA VAL A 85 5.391 7.633 -7.864 1.00 32.41 H new ATOM 0 HB VAL A 85 5.538 10.207 -6.243 1.00 43.31 H new ATOM 0 HG11 VAL A 85 3.160 9.753 -5.756 1.00 51.35 H new ATOM 0 HG12 VAL A 85 3.449 9.977 -7.497 1.00 51.35 H new ATOM 0 HG13 VAL A 85 3.214 8.341 -6.837 1.00 51.35 H new ATOM 0 HG21 VAL A 85 4.928 8.814 -4.298 1.00 74.52 H new ATOM 0 HG22 VAL A 85 5.068 7.354 -5.307 1.00 74.52 H new ATOM 0 HG23 VAL A 85 6.506 8.350 -4.979 1.00 74.52 H new ATOM 1359 N SER A 86 4.985 9.043 -9.901 1.00 5.45 N ATOM 1360 CA SER A 86 4.820 9.806 -11.148 1.00 65.23 C ATOM 1361 C SER A 86 3.689 10.849 -11.064 1.00 23.33 C ATOM 1362 O SER A 86 2.839 10.797 -10.171 1.00 64.22 O ATOM 1363 CB SER A 86 4.563 8.858 -12.326 1.00 61.11 C ATOM 1364 OG SER A 86 5.653 7.960 -12.518 1.00 60.21 O ATOM 0 H SER A 86 4.562 8.115 -9.918 1.00 5.45 H new ATOM 0 HA SER A 86 5.752 10.349 -11.306 1.00 65.23 H new ATOM 0 HB2 SER A 86 3.650 8.291 -12.146 1.00 61.11 H new ATOM 0 HB3 SER A 86 4.404 9.439 -13.234 1.00 61.11 H new ATOM 0 HG SER A 86 5.459 7.368 -13.274 1.00 60.21 H new ATOM 1370 N GLU A 87 3.674 11.751 -12.054 1.00 71.31 N ATOM 1371 CA GLU A 87 2.817 12.956 -12.073 1.00 53.44 C ATOM 1372 C GLU A 87 1.379 12.739 -11.552 1.00 1.30 C ATOM 1373 O GLU A 87 0.941 13.425 -10.624 1.00 14.42 O ATOM 1374 CB GLU A 87 2.775 13.540 -13.501 1.00 62.23 C ATOM 1375 CG GLU A 87 2.127 12.641 -14.563 1.00 43.11 C ATOM 1376 CD GLU A 87 2.842 11.310 -14.752 1.00 3.10 C ATOM 1377 OE1 GLU A 87 3.889 11.284 -15.432 1.00 62.04 O ATOM 1378 OE2 GLU A 87 2.364 10.287 -14.213 1.00 41.12 O ATOM 0 H GLU A 87 4.265 11.667 -12.881 1.00 71.31 H new ATOM 0 HA GLU A 87 3.276 13.656 -11.375 1.00 53.44 H new ATOM 0 HB2 GLU A 87 2.235 14.486 -13.472 1.00 62.23 H new ATOM 0 HB3 GLU A 87 3.795 13.765 -13.813 1.00 62.23 H new ATOM 0 HG2 GLU A 87 1.091 12.451 -14.283 1.00 43.11 H new ATOM 0 HG3 GLU A 87 2.108 13.172 -15.515 1.00 43.11 H new ATOM 1385 N ILE A 88 0.646 11.795 -12.138 1.00 10.21 N ATOM 1386 CA ILE A 88 -0.764 11.573 -11.775 1.00 72.34 C ATOM 1387 C ILE A 88 -0.907 10.633 -10.566 1.00 52.43 C ATOM 1388 O ILE A 88 -1.940 9.982 -10.390 1.00 64.15 O ATOM 1389 CB ILE A 88 -1.571 10.992 -12.968 1.00 65.42 C ATOM 1390 CG1 ILE A 88 -0.940 9.676 -13.460 1.00 22.41 C ATOM 1391 CG2 ILE A 88 -1.668 12.013 -14.107 1.00 32.32 C ATOM 1392 CD1 ILE A 88 -1.718 8.999 -14.567 1.00 15.21 C ATOM 0 H ILE A 88 0.997 11.171 -12.864 1.00 10.21 H new ATOM 0 HA ILE A 88 -1.167 12.550 -11.507 1.00 72.34 H new ATOM 0 HB ILE A 88 -2.582 10.775 -12.624 1.00 65.42 H new ATOM 0 HG12 ILE A 88 0.072 9.879 -13.812 1.00 22.41 H new ATOM 0 HG13 ILE A 88 -0.853 8.989 -12.618 1.00 22.41 H new ATOM 0 HG21 ILE A 88 -2.237 11.585 -14.932 1.00 32.32 H new ATOM 0 HG22 ILE A 88 -2.169 12.912 -13.748 1.00 32.32 H new ATOM 0 HG23 ILE A 88 -0.666 12.269 -14.452 1.00 32.32 H new ATOM 0 HD11 ILE A 88 -1.210 8.080 -14.859 1.00 15.21 H new ATOM 0 HD12 ILE A 88 -2.722 8.763 -14.214 1.00 15.21 H new ATOM 0 HD13 ILE A 88 -1.783 9.666 -15.427 1.00 15.21 H new ATOM 1404 N GLY A 89 0.122 10.593 -9.721 1.00 40.32 N ATOM 1405 CA GLY A 89 0.142 9.648 -8.613 1.00 54.30 C ATOM 1406 C GLY A 89 0.315 8.218 -9.101 1.00 52.21 C ATOM 1407 O GLY A 89 -0.260 7.284 -8.543 1.00 13.41 O ATOM 0 H GLY A 89 0.942 11.197 -9.783 1.00 40.32 H new ATOM 0 HA2 GLY A 89 0.955 9.902 -7.932 1.00 54.30 H new ATOM 0 HA3 GLY A 89 -0.786 9.730 -8.047 1.00 54.30 H new ATOM 1411 N LYS A 90 1.113 8.050 -10.155 1.00 3.04 N ATOM 1412 CA LYS A 90 1.301 6.736 -10.780 1.00 22.41 C ATOM 1413 C LYS A 90 2.604 6.078 -10.300 1.00 22.33 C ATOM 1414 O LYS A 90 3.690 6.632 -10.463 1.00 53.23 O ATOM 1415 CB LYS A 90 1.297 6.867 -12.315 1.00 12.22 C ATOM 1416 CG LYS A 90 1.278 5.524 -13.044 1.00 12.31 C ATOM 1417 CD LYS A 90 1.082 5.671 -14.556 1.00 42.33 C ATOM 1418 CE LYS A 90 2.326 6.197 -15.276 1.00 34.44 C ATOM 1419 NZ LYS A 90 2.520 7.665 -15.113 1.00 10.41 N ATOM 0 H LYS A 90 1.640 8.804 -10.595 1.00 3.04 H new ATOM 0 HA LYS A 90 0.471 6.096 -10.481 1.00 22.41 H new ATOM 0 HB2 LYS A 90 0.427 7.448 -12.619 1.00 12.22 H new ATOM 0 HB3 LYS A 90 2.179 7.427 -12.626 1.00 12.22 H new ATOM 0 HG2 LYS A 90 2.214 4.999 -12.853 1.00 12.31 H new ATOM 0 HG3 LYS A 90 0.477 4.906 -12.637 1.00 12.31 H new ATOM 0 HD2 LYS A 90 0.809 4.703 -14.976 1.00 42.33 H new ATOM 0 HD3 LYS A 90 0.248 6.347 -14.744 1.00 42.33 H new ATOM 0 HE2 LYS A 90 3.205 5.676 -14.897 1.00 34.44 H new ATOM 0 HE3 LYS A 90 2.250 5.962 -16.338 1.00 34.44 H new ATOM 0 HZ1 LYS A 90 2.695 8.097 -16.043 1.00 10.41 H new ATOM 0 HZ2 LYS A 90 1.666 8.083 -14.691 1.00 10.41 H new ATOM 0 HZ3 LYS A 90 3.335 7.841 -14.491 1.00 10.41 H new ATOM 1433 N ILE A 91 2.488 4.895 -9.706 1.00 73.43 N ATOM 1434 CA ILE A 91 3.650 4.181 -9.162 1.00 53.23 C ATOM 1435 C ILE A 91 4.074 3.020 -10.076 1.00 62.32 C ATOM 1436 O ILE A 91 3.255 2.180 -10.455 1.00 14.24 O ATOM 1437 CB ILE A 91 3.356 3.634 -7.740 1.00 24.11 C ATOM 1438 CG1 ILE A 91 2.972 4.787 -6.795 1.00 3.54 C ATOM 1439 CG2 ILE A 91 4.561 2.863 -7.192 1.00 3.54 C ATOM 1440 CD1 ILE A 91 2.612 4.340 -5.393 1.00 23.11 C ATOM 0 H ILE A 91 1.601 4.405 -9.586 1.00 73.43 H new ATOM 0 HA ILE A 91 4.467 4.901 -9.106 1.00 53.23 H new ATOM 0 HB ILE A 91 2.516 2.942 -7.804 1.00 24.11 H new ATOM 0 HG12 ILE A 91 3.803 5.490 -6.739 1.00 3.54 H new ATOM 0 HG13 ILE A 91 2.127 5.327 -7.222 1.00 3.54 H new ATOM 0 HG21 ILE A 91 4.331 2.489 -6.194 1.00 3.54 H new ATOM 0 HG22 ILE A 91 4.786 2.024 -7.851 1.00 3.54 H new ATOM 0 HG23 ILE A 91 5.425 3.526 -7.141 1.00 3.54 H new ATOM 0 HD11 ILE A 91 2.354 5.210 -4.789 1.00 23.11 H new ATOM 0 HD12 ILE A 91 1.760 3.661 -5.435 1.00 23.11 H new ATOM 0 HD13 ILE A 91 3.463 3.827 -4.945 1.00 23.11 H new ATOM 1452 N ALA A 92 5.354 2.981 -10.432 1.00 25.51 N ATOM 1453 CA ALA A 92 5.881 1.909 -11.278 1.00 51.45 C ATOM 1454 C ALA A 92 5.972 0.580 -10.505 1.00 22.55 C ATOM 1455 O ALA A 92 6.972 0.295 -9.839 1.00 0.32 O ATOM 1456 CB ALA A 92 7.240 2.311 -11.837 1.00 74.51 C ATOM 0 H ALA A 92 6.046 3.676 -10.150 1.00 25.51 H new ATOM 0 HA ALA A 92 5.192 1.754 -12.109 1.00 51.45 H new ATOM 0 HB1 ALA A 92 7.627 1.509 -12.466 1.00 74.51 H new ATOM 0 HB2 ALA A 92 7.135 3.219 -12.431 1.00 74.51 H new ATOM 0 HB3 ALA A 92 7.932 2.493 -11.015 1.00 74.51 H new ATOM 1462 N LEU A 93 4.924 -0.232 -10.612 1.00 64.11 N ATOM 1463 CA LEU A 93 4.806 -1.467 -9.831 1.00 41.42 C ATOM 1464 C LEU A 93 5.895 -2.496 -10.172 1.00 14.43 C ATOM 1465 O LEU A 93 6.464 -3.103 -9.277 1.00 75.44 O ATOM 1466 CB LEU A 93 3.414 -2.091 -10.025 1.00 40.53 C ATOM 1467 CG LEU A 93 2.234 -1.240 -9.514 1.00 30.14 C ATOM 1468 CD1 LEU A 93 0.906 -1.969 -9.715 1.00 33.11 C ATOM 1469 CD2 LEU A 93 2.432 -0.873 -8.043 1.00 71.32 C ATOM 0 H LEU A 93 4.137 -0.058 -11.236 1.00 64.11 H new ATOM 0 HA LEU A 93 4.944 -1.190 -8.786 1.00 41.42 H new ATOM 0 HB2 LEU A 93 3.266 -2.287 -11.087 1.00 40.53 H new ATOM 0 HB3 LEU A 93 3.392 -3.055 -9.517 1.00 40.53 H new ATOM 0 HG LEU A 93 2.204 -0.319 -10.097 1.00 30.14 H new ATOM 0 HD11 LEU A 93 0.090 -1.347 -9.346 1.00 33.11 H new ATOM 0 HD12 LEU A 93 0.758 -2.170 -10.776 1.00 33.11 H new ATOM 0 HD13 LEU A 93 0.921 -2.911 -9.166 1.00 33.11 H new ATOM 0 HD21 LEU A 93 1.589 -0.273 -7.701 1.00 71.32 H new ATOM 0 HD22 LEU A 93 2.495 -1.783 -7.446 1.00 71.32 H new ATOM 0 HD23 LEU A 93 3.353 -0.301 -7.931 1.00 71.32 H new ATOM 1481 N ARG A 94 6.205 -2.675 -11.454 1.00 61.11 N ATOM 1482 CA ARG A 94 7.150 -3.726 -11.880 1.00 73.44 C ATOM 1483 C ARG A 94 8.482 -3.680 -11.099 1.00 42.24 C ATOM 1484 O ARG A 94 9.033 -4.720 -10.733 1.00 15.12 O ATOM 1485 CB ARG A 94 7.440 -3.624 -13.382 1.00 24.43 C ATOM 1486 CG ARG A 94 6.205 -3.728 -14.269 1.00 12.42 C ATOM 1487 CD ARG A 94 6.579 -3.702 -15.749 1.00 64.42 C ATOM 1488 NE ARG A 94 7.506 -2.614 -16.063 1.00 24.43 N ATOM 1489 CZ ARG A 94 7.241 -1.617 -16.862 1.00 41.02 C ATOM 1490 NH1 ARG A 94 6.099 -1.548 -17.467 1.00 2.21 N ATOM 1491 NH2 ARG A 94 8.129 -0.702 -17.064 1.00 12.52 N ATOM 0 H ARG A 94 5.824 -2.115 -12.217 1.00 61.11 H new ATOM 0 HA ARG A 94 6.666 -4.678 -11.662 1.00 73.44 H new ATOM 0 HB2 ARG A 94 7.936 -2.674 -13.580 1.00 24.43 H new ATOM 0 HB3 ARG A 94 8.139 -4.413 -13.659 1.00 24.43 H new ATOM 0 HG2 ARG A 94 5.670 -4.650 -14.043 1.00 12.42 H new ATOM 0 HG3 ARG A 94 5.527 -2.904 -14.049 1.00 12.42 H new ATOM 0 HD2 ARG A 94 7.032 -4.654 -16.025 1.00 64.42 H new ATOM 0 HD3 ARG A 94 5.676 -3.593 -16.349 1.00 64.42 H new ATOM 0 HE ARG A 94 8.427 -2.637 -15.625 1.00 24.43 H new ATOM 0 HH11 ARG A 94 5.399 -2.276 -17.321 1.00 2.21 H new ATOM 0 HH12 ARG A 94 5.898 -0.766 -18.090 1.00 2.21 H new ATOM 0 HH21 ARG A 94 9.035 -0.759 -16.600 1.00 12.52 H new ATOM 0 HH22 ARG A 94 7.924 0.078 -17.688 1.00 12.52 H new ATOM 1505 N LYS A 95 9.002 -2.477 -10.845 1.00 24.24 N ATOM 1506 CA LYS A 95 10.259 -2.335 -10.096 1.00 10.42 C ATOM 1507 C LYS A 95 10.023 -2.148 -8.583 1.00 72.41 C ATOM 1508 O LYS A 95 10.885 -2.491 -7.769 1.00 62.41 O ATOM 1509 CB LYS A 95 11.113 -1.184 -10.662 1.00 5.20 C ATOM 1510 CG LYS A 95 10.411 0.172 -10.738 1.00 33.04 C ATOM 1511 CD LYS A 95 11.359 1.266 -11.240 1.00 65.13 C ATOM 1512 CE LYS A 95 10.653 2.606 -11.416 1.00 75.42 C ATOM 1513 NZ LYS A 95 11.595 3.695 -11.794 1.00 11.40 N ATOM 0 H LYS A 95 8.581 -1.596 -11.141 1.00 24.24 H new ATOM 0 HA LYS A 95 10.808 -3.268 -10.222 1.00 10.42 H new ATOM 0 HB2 LYS A 95 12.006 -1.079 -10.046 1.00 5.20 H new ATOM 0 HB3 LYS A 95 11.447 -1.459 -11.663 1.00 5.20 H new ATOM 0 HG2 LYS A 95 9.551 0.101 -11.403 1.00 33.04 H new ATOM 0 HG3 LYS A 95 10.031 0.442 -9.753 1.00 33.04 H new ATOM 0 HD2 LYS A 95 12.183 1.381 -10.536 1.00 65.13 H new ATOM 0 HD3 LYS A 95 11.794 0.959 -12.191 1.00 65.13 H new ATOM 0 HE2 LYS A 95 9.884 2.511 -12.183 1.00 75.42 H new ATOM 0 HE3 LYS A 95 10.147 2.872 -10.488 1.00 75.42 H new ATOM 0 HZ1 LYS A 95 11.076 4.593 -11.869 1.00 11.40 H new ATOM 0 HZ2 LYS A 95 12.334 3.782 -11.068 1.00 11.40 H new ATOM 0 HZ3 LYS A 95 12.034 3.472 -12.710 1.00 11.40 H new ATOM 1527 N TYR A 96 8.857 -1.630 -8.197 1.00 64.54 N ATOM 1528 CA TYR A 96 8.561 -1.381 -6.771 1.00 74.11 C ATOM 1529 C TYR A 96 7.665 -2.462 -6.141 1.00 14.33 C ATOM 1530 O TYR A 96 7.309 -2.360 -4.975 1.00 70.22 O ATOM 1531 CB TYR A 96 7.908 -0.003 -6.592 1.00 20.35 C ATOM 1532 CG TYR A 96 8.845 1.153 -6.875 1.00 34.12 C ATOM 1533 CD1 TYR A 96 9.966 1.365 -6.081 1.00 72.43 C ATOM 1534 CD2 TYR A 96 8.610 2.030 -7.926 1.00 22.52 C ATOM 1535 CE1 TYR A 96 10.827 2.414 -6.329 1.00 21.32 C ATOM 1536 CE2 TYR A 96 9.467 3.080 -8.180 1.00 5.32 C ATOM 1537 CZ TYR A 96 10.572 3.268 -7.380 1.00 33.02 C ATOM 1538 OH TYR A 96 11.426 4.316 -7.631 1.00 22.43 O ATOM 0 H TYR A 96 8.105 -1.375 -8.837 1.00 64.54 H new ATOM 0 HA TYR A 96 9.518 -1.412 -6.250 1.00 74.11 H new ATOM 0 HB2 TYR A 96 7.045 0.069 -7.254 1.00 20.35 H new ATOM 0 HB3 TYR A 96 7.535 0.084 -5.571 1.00 20.35 H new ATOM 0 HD1 TYR A 96 10.166 0.697 -5.256 1.00 72.43 H new ATOM 0 HD2 TYR A 96 7.743 1.887 -8.554 1.00 22.52 H new ATOM 0 HE1 TYR A 96 11.695 2.565 -5.704 1.00 21.32 H new ATOM 0 HE2 TYR A 96 9.272 3.752 -9.003 1.00 5.32 H new ATOM 0 HH TYR A 96 11.674 4.316 -8.579 1.00 22.43 H new ATOM 1548 N LYS A 97 7.314 -3.497 -6.894 1.00 52.23 N ATOM 1549 CA LYS A 97 6.440 -4.559 -6.375 1.00 41.01 C ATOM 1550 C LYS A 97 7.142 -5.400 -5.297 1.00 61.22 C ATOM 1551 O LYS A 97 8.291 -5.825 -5.466 1.00 12.35 O ATOM 1552 CB LYS A 97 5.954 -5.463 -7.519 1.00 43.11 C ATOM 1553 CG LYS A 97 7.075 -6.163 -8.280 1.00 62.52 C ATOM 1554 CD LYS A 97 6.543 -6.947 -9.476 1.00 73.50 C ATOM 1555 CE LYS A 97 7.665 -7.629 -10.250 1.00 2.21 C ATOM 1556 NZ LYS A 97 8.361 -8.654 -9.431 1.00 32.03 N ATOM 0 H LYS A 97 7.615 -3.630 -7.860 1.00 52.23 H new ATOM 0 HA LYS A 97 5.580 -4.076 -5.912 1.00 41.01 H new ATOM 0 HB2 LYS A 97 5.281 -6.217 -7.111 1.00 43.11 H new ATOM 0 HB3 LYS A 97 5.373 -4.863 -8.220 1.00 43.11 H new ATOM 0 HG2 LYS A 97 7.799 -5.424 -8.623 1.00 62.52 H new ATOM 0 HG3 LYS A 97 7.604 -6.839 -7.608 1.00 62.52 H new ATOM 0 HD2 LYS A 97 5.831 -7.697 -9.131 1.00 73.50 H new ATOM 0 HD3 LYS A 97 6.001 -6.274 -10.140 1.00 73.50 H new ATOM 0 HE2 LYS A 97 7.256 -8.097 -11.145 1.00 2.21 H new ATOM 0 HE3 LYS A 97 8.384 -6.880 -10.582 1.00 2.21 H new ATOM 0 HZ1 LYS A 97 8.998 -9.209 -10.037 1.00 32.03 H new ATOM 0 HZ2 LYS A 97 8.914 -8.186 -8.685 1.00 32.03 H new ATOM 0 HZ3 LYS A 97 7.659 -9.286 -8.996 1.00 32.03 H new ATOM 1570 N TRP A 98 6.450 -5.611 -4.182 1.00 32.34 N ATOM 1571 CA TRP A 98 6.945 -6.462 -3.103 1.00 74.45 C ATOM 1572 C TRP A 98 6.772 -7.945 -3.464 1.00 20.42 C ATOM 1573 O TRP A 98 5.852 -8.311 -4.194 1.00 75.41 O ATOM 1574 CB TRP A 98 6.205 -6.130 -1.798 1.00 14.52 C ATOM 1575 CG TRP A 98 6.670 -6.920 -0.611 1.00 61.55 C ATOM 1576 CD1 TRP A 98 7.960 -7.181 -0.251 1.00 35.01 C ATOM 1577 CD2 TRP A 98 5.846 -7.535 0.384 1.00 51.03 C ATOM 1578 NE1 TRP A 98 7.987 -7.924 0.902 1.00 53.23 N ATOM 1579 CE2 TRP A 98 6.701 -8.150 1.315 1.00 3.23 C ATOM 1580 CE3 TRP A 98 4.464 -7.619 0.578 1.00 75.15 C ATOM 1581 CZ2 TRP A 98 6.219 -8.846 2.419 1.00 24.45 C ATOM 1582 CZ3 TRP A 98 3.989 -8.309 1.675 1.00 5.22 C ATOM 1583 CH2 TRP A 98 4.864 -8.913 2.585 1.00 64.41 C ATOM 0 H TRP A 98 5.535 -5.200 -4.000 1.00 32.34 H new ATOM 0 HA TRP A 98 8.009 -6.272 -2.961 1.00 74.45 H new ATOM 0 HB2 TRP A 98 6.327 -5.068 -1.584 1.00 14.52 H new ATOM 0 HB3 TRP A 98 5.139 -6.306 -1.943 1.00 14.52 H new ATOM 0 HD1 TRP A 98 8.833 -6.851 -0.795 1.00 35.01 H new ATOM 0 HE1 TRP A 98 8.828 -8.254 1.375 1.00 53.23 H new ATOM 0 HE3 TRP A 98 3.781 -7.153 -0.117 1.00 75.15 H new ATOM 0 HZ2 TRP A 98 6.892 -9.317 3.120 1.00 24.45 H new ATOM 0 HZ3 TRP A 98 2.923 -8.384 1.834 1.00 5.22 H new ATOM 0 HH2 TRP A 98 4.461 -9.443 3.435 1.00 64.41 H new ATOM 1594 N GLN A 99 7.666 -8.794 -2.965 1.00 75.11 N ATOM 1595 CA GLN A 99 7.631 -10.220 -3.288 1.00 31.24 C ATOM 1596 C GLN A 99 8.213 -11.062 -2.137 1.00 25.23 C ATOM 1597 O GLN A 99 9.409 -11.352 -2.107 1.00 54.21 O ATOM 1598 CB GLN A 99 8.406 -10.460 -4.591 1.00 23.15 C ATOM 1599 CG GLN A 99 8.303 -11.878 -5.139 1.00 32.51 C ATOM 1600 CD GLN A 99 9.052 -12.040 -6.450 1.00 0.54 C ATOM 1601 OE1 GLN A 99 10.048 -11.363 -6.700 1.00 41.24 O ATOM 1602 NE2 GLN A 99 8.585 -12.931 -7.297 1.00 21.11 N ATOM 0 H GLN A 99 8.422 -8.522 -2.337 1.00 75.11 H new ATOM 0 HA GLN A 99 6.595 -10.531 -3.424 1.00 31.24 H new ATOM 0 HB2 GLN A 99 8.042 -9.765 -5.348 1.00 23.15 H new ATOM 0 HB3 GLN A 99 9.457 -10.226 -4.422 1.00 23.15 H new ATOM 0 HG2 GLN A 99 8.701 -12.579 -4.406 1.00 32.51 H new ATOM 0 HG3 GLN A 99 7.254 -12.133 -5.288 1.00 32.51 H new ATOM 0 HE21 GLN A 99 7.756 -13.476 -7.059 1.00 21.11 H new ATOM 0 HE22 GLN A 99 9.051 -13.077 -8.192 1.00 21.11 H new ATOM 1611 N PRO A 100 7.371 -11.448 -1.156 1.00 33.23 N ATOM 1612 CA PRO A 100 7.819 -12.197 0.033 1.00 74.40 C ATOM 1613 C PRO A 100 8.018 -13.701 -0.221 1.00 55.23 C ATOM 1614 O PRO A 100 8.530 -14.419 0.640 1.00 13.40 O ATOM 1615 CB PRO A 100 6.667 -11.973 1.017 1.00 31.54 C ATOM 1616 CG PRO A 100 5.458 -11.860 0.150 1.00 71.14 C ATOM 1617 CD PRO A 100 5.916 -11.172 -1.115 1.00 0.44 C ATOM 0 HA PRO A 100 8.795 -11.856 0.379 1.00 74.40 H new ATOM 0 HB2 PRO A 100 6.577 -12.802 1.719 1.00 31.54 H new ATOM 0 HB3 PRO A 100 6.819 -11.070 1.608 1.00 31.54 H new ATOM 0 HG2 PRO A 100 5.042 -12.843 -0.069 1.00 71.14 H new ATOM 0 HG3 PRO A 100 4.675 -11.286 0.645 1.00 71.14 H new ATOM 0 HD2 PRO A 100 5.408 -11.569 -1.994 1.00 0.44 H new ATOM 0 HD3 PRO A 100 5.712 -10.102 -1.085 1.00 0.44 H new ATOM 1625 N LEU A 101 7.622 -14.164 -1.404 1.00 34.25 N ATOM 1626 CA LEU A 101 7.668 -15.592 -1.738 1.00 30.44 C ATOM 1627 C LEU A 101 9.104 -16.151 -1.737 1.00 73.22 C ATOM 1628 O LEU A 101 9.862 -15.953 -2.686 1.00 61.12 O ATOM 1629 CB LEU A 101 7.020 -15.830 -3.111 1.00 64.55 C ATOM 1630 CG LEU A 101 5.574 -15.319 -3.257 1.00 4.14 C ATOM 1631 CD1 LEU A 101 5.054 -15.557 -4.673 1.00 32.14 C ATOM 1632 CD2 LEU A 101 4.657 -15.975 -2.223 1.00 61.42 C ATOM 0 H LEU A 101 7.264 -13.571 -2.153 1.00 34.25 H new ATOM 0 HA LEU A 101 7.111 -16.122 -0.965 1.00 30.44 H new ATOM 0 HB2 LEU A 101 7.635 -15.350 -3.872 1.00 64.55 H new ATOM 0 HB3 LEU A 101 7.032 -16.900 -3.319 1.00 64.55 H new ATOM 0 HG LEU A 101 5.576 -14.245 -3.073 1.00 4.14 H new ATOM 0 HD11 LEU A 101 4.031 -15.188 -4.752 1.00 32.14 H new ATOM 0 HD12 LEU A 101 5.686 -15.029 -5.386 1.00 32.14 H new ATOM 0 HD13 LEU A 101 5.073 -16.624 -4.893 1.00 32.14 H new ATOM 0 HD21 LEU A 101 3.642 -15.598 -2.346 1.00 61.42 H new ATOM 0 HD22 LEU A 101 4.663 -17.056 -2.365 1.00 61.42 H new ATOM 0 HD23 LEU A 101 5.012 -15.739 -1.220 1.00 61.42 H new ATOM 1644 N GLU A 102 9.473 -16.845 -0.663 1.00 21.05 N ATOM 1645 CA GLU A 102 10.775 -17.528 -0.581 1.00 10.24 C ATOM 1646 C GLU A 102 10.602 -19.053 -0.426 1.00 61.22 C ATOM 1647 O GLU A 102 10.341 -19.531 0.703 1.00 36.61 O ATOM 1648 CB GLU A 102 11.633 -16.938 0.557 1.00 73.14 C ATOM 1649 CG GLU A 102 10.896 -16.753 1.883 1.00 14.13 C ATOM 1650 CD GLU A 102 11.791 -16.199 2.983 1.00 0.42 C ATOM 1651 OE1 GLU A 102 12.131 -14.999 2.935 1.00 53.23 O ATOM 1652 OE2 GLU A 102 12.151 -16.959 3.909 1.00 41.21 O ATOM 0 H GLU A 102 8.892 -16.953 0.168 1.00 21.05 H new ATOM 0 HA GLU A 102 11.303 -17.357 -1.519 1.00 10.24 H new ATOM 0 HB2 GLU A 102 12.491 -17.590 0.722 1.00 73.14 H new ATOM 0 HB3 GLU A 102 12.023 -15.972 0.236 1.00 73.14 H new ATOM 0 HG2 GLU A 102 10.052 -16.079 1.734 1.00 14.13 H new ATOM 0 HG3 GLU A 102 10.486 -17.711 2.202 1.00 14.13 H new TER 1659 GLU A 102