USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 923 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 55 SER OG : rot 28:sc= 0.435 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.109 K(o=0.33,f=-0.55) USER MOD Set 2.1: A 23 MET CE :methyl -115:sc= -2.3 (180deg=-3.6!) USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 0.49 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc=-0.00982 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.25! C(o=-1.3!,f=-1.3!) USER MOD Single : A 26 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -0.102 (180deg=-0.59) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -6.56! C(o=-6.6!,f=-7.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -130:sc= -0.909 USER MOD Single : A 40 TYR OH : rot 162:sc= 1.3 USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 0.00549 (180deg=-0.644) USER MOD Single : A 59 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.456 (180deg=-0.962) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.077) USER MOD Single : A 75 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.32) USER MOD Single : A 77 THR OG1 : rot -59:sc= 0.331 USER MOD Single : A 80 LYS NZ :NH3+ 133:sc= 1.86 (180deg=-0.743) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.81 K(o=-0.81,f=-1.6!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3! C(o=-3!,f=-8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -105:sc= 1.73 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.6!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 29:sc= 0.0742 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -68:sc= -0.31 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.293 -17.959 6.535 1.00 0.00 N ATOM 2 CA GLY A 1 -1.035 -18.683 5.519 1.00 0.00 C ATOM 3 C GLY A 1 -0.168 -19.083 4.342 1.00 0.00 C ATOM 4 O GLY A 1 0.124 -18.262 3.471 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.930 -17.708 7.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.478 -18.557 6.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.106 -17.092 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.475 -19.576 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.859 -18.064 5.165 1.00 0.00 H new ATOM 8 N SER A 2 0.247 -20.345 4.315 1.00 0.00 N ATOM 9 CA SER A 2 1.091 -20.850 3.238 1.00 0.00 C ATOM 10 C SER A 2 0.348 -20.820 1.907 1.00 0.00 C ATOM 11 O SER A 2 -0.384 -21.749 1.570 1.00 0.00 O ATOM 12 CB SER A 2 1.549 -22.276 3.547 1.00 0.00 C ATOM 13 OG SER A 2 2.198 -22.857 2.429 1.00 0.00 O ATOM 0 H SER A 2 0.013 -21.037 5.027 1.00 0.00 H new ATOM 0 HA SER A 2 1.965 -20.204 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.227 -22.267 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.690 -22.884 3.829 1.00 0.00 H new ATOM 0 HG SER A 2 2.482 -23.768 2.653 1.00 0.00 H new ATOM 19 N SER A 3 0.544 -19.742 1.152 1.00 0.00 N ATOM 20 CA SER A 3 -0.110 -19.587 -0.143 1.00 0.00 C ATOM 21 C SER A 3 0.899 -19.195 -1.217 1.00 0.00 C ATOM 22 O SER A 3 1.349 -18.051 -1.276 1.00 0.00 O ATOM 23 CB SER A 3 -1.215 -18.532 -0.056 1.00 0.00 C ATOM 24 OG SER A 3 -2.116 -18.823 0.998 1.00 0.00 O ATOM 0 H SER A 3 1.150 -18.964 1.415 1.00 0.00 H new ATOM 0 HA SER A 3 -0.552 -20.545 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.772 -17.549 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.757 -18.490 -1.001 1.00 0.00 H new ATOM 0 HG SER A 3 -2.811 -18.133 1.034 1.00 0.00 H new ATOM 30 N GLY A 4 1.251 -20.155 -2.068 1.00 0.00 N ATOM 31 CA GLY A 4 2.205 -19.892 -3.130 1.00 0.00 C ATOM 32 C GLY A 4 1.780 -20.496 -4.454 1.00 0.00 C ATOM 33 O GLY A 4 1.445 -21.678 -4.525 1.00 0.00 O ATOM 0 H GLY A 4 0.893 -21.110 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.325 -18.815 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.178 -20.293 -2.847 1.00 0.00 H new ATOM 37 N SER A 5 1.794 -19.683 -5.505 1.00 0.00 N ATOM 38 CA SER A 5 1.401 -20.143 -6.832 1.00 0.00 C ATOM 39 C SER A 5 2.381 -21.189 -7.356 1.00 0.00 C ATOM 40 O SER A 5 3.552 -21.201 -6.979 1.00 0.00 O ATOM 41 CB SER A 5 1.330 -18.963 -7.803 1.00 0.00 C ATOM 42 OG SER A 5 0.365 -18.014 -7.382 1.00 0.00 O ATOM 0 H SER A 5 2.073 -18.703 -5.464 1.00 0.00 H new ATOM 0 HA SER A 5 0.415 -20.601 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.308 -18.486 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.079 -19.323 -8.801 1.00 0.00 H new ATOM 0 HG SER A 5 0.340 -17.269 -8.018 1.00 0.00 H new ATOM 48 N SER A 6 1.891 -22.065 -8.226 1.00 0.00 N ATOM 49 CA SER A 6 2.721 -23.118 -8.800 1.00 0.00 C ATOM 50 C SER A 6 2.954 -22.877 -10.288 1.00 0.00 C ATOM 51 O SER A 6 2.171 -23.312 -11.130 1.00 0.00 O ATOM 52 CB SER A 6 2.065 -24.485 -8.592 1.00 0.00 C ATOM 53 OG SER A 6 0.741 -24.498 -9.098 1.00 0.00 O ATOM 0 H SER A 6 0.924 -22.067 -8.549 1.00 0.00 H new ATOM 0 HA SER A 6 3.685 -23.103 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.655 -25.255 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.054 -24.729 -7.530 1.00 0.00 H new ATOM 0 HG SER A 6 0.728 -24.093 -9.990 1.00 0.00 H new ATOM 59 N GLY A 7 4.040 -22.176 -10.604 1.00 0.00 N ATOM 60 CA GLY A 7 4.359 -21.886 -11.990 1.00 0.00 C ATOM 61 C GLY A 7 3.352 -20.954 -12.634 1.00 0.00 C ATOM 62 O GLY A 7 2.854 -21.227 -13.726 1.00 0.00 O ATOM 0 H GLY A 7 4.704 -21.804 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.351 -21.438 -12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.399 -22.818 -12.553 1.00 0.00 H new ATOM 66 N SER A 8 3.049 -19.852 -11.955 1.00 0.00 N ATOM 67 CA SER A 8 2.091 -18.878 -12.466 1.00 0.00 C ATOM 68 C SER A 8 2.690 -17.476 -12.465 1.00 0.00 C ATOM 69 O SER A 8 3.149 -16.985 -11.434 1.00 0.00 O ATOM 70 CB SER A 8 0.813 -18.901 -11.624 1.00 0.00 C ATOM 71 OG SER A 8 -0.313 -18.525 -12.399 1.00 0.00 O ATOM 0 H SER A 8 3.453 -19.611 -11.050 1.00 0.00 H new ATOM 0 HA SER A 8 1.846 -19.148 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.660 -19.900 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.919 -18.223 -10.777 1.00 0.00 H new ATOM 0 HG SER A 8 -1.118 -18.549 -11.840 1.00 0.00 H new ATOM 77 N ARG A 9 2.680 -16.835 -13.629 1.00 0.00 N ATOM 78 CA ARG A 9 3.222 -15.488 -13.764 1.00 0.00 C ATOM 79 C ARG A 9 2.436 -14.497 -12.912 1.00 0.00 C ATOM 80 O ARG A 9 1.408 -13.974 -13.341 1.00 0.00 O ATOM 81 CB ARG A 9 3.195 -15.050 -15.230 1.00 0.00 C ATOM 82 CG ARG A 9 4.360 -15.584 -16.047 1.00 0.00 C ATOM 83 CD ARG A 9 4.438 -14.915 -17.410 1.00 0.00 C ATOM 84 NE ARG A 9 4.602 -13.467 -17.301 1.00 0.00 N ATOM 85 CZ ARG A 9 3.585 -12.618 -17.200 1.00 0.00 C ATOM 86 NH1 ARG A 9 2.338 -13.070 -17.192 1.00 0.00 N ATOM 87 NH2 ARG A 9 3.815 -11.315 -17.104 1.00 0.00 N ATOM 0 H ARG A 9 2.303 -17.226 -14.492 1.00 0.00 H new ATOM 0 HA ARG A 9 4.254 -15.502 -13.414 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.261 -15.384 -15.683 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.200 -13.961 -15.275 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.291 -15.419 -15.506 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.253 -16.661 -16.175 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.273 -15.333 -17.972 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.532 -15.136 -17.974 1.00 0.00 H new ATOM 0 HE ARG A 9 5.549 -13.087 -17.303 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.158 -14.071 -17.263 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.559 -12.416 -17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.773 -10.965 -17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.034 -10.664 -17.027 1.00 0.00 H new ATOM 101 N GLU A 10 2.926 -14.245 -11.702 1.00 0.00 N ATOM 102 CA GLU A 10 2.268 -13.318 -10.789 1.00 0.00 C ATOM 103 C GLU A 10 2.727 -11.885 -11.045 1.00 0.00 C ATOM 104 O GLU A 10 3.743 -11.655 -11.701 1.00 0.00 O ATOM 105 CB GLU A 10 2.556 -13.706 -9.337 1.00 0.00 C ATOM 106 CG GLU A 10 4.039 -13.775 -9.010 1.00 0.00 C ATOM 107 CD GLU A 10 4.300 -14.218 -7.582 1.00 0.00 C ATOM 108 OE1 GLU A 10 3.909 -15.352 -7.233 1.00 0.00 O ATOM 109 OE2 GLU A 10 4.894 -13.432 -6.816 1.00 0.00 O ATOM 0 H GLU A 10 3.776 -14.670 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 10 1.194 -13.375 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.079 -12.983 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.101 -14.675 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.527 -14.467 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.489 -12.795 -9.171 1.00 0.00 H new ATOM 116 N ILE A 11 1.969 -10.926 -10.523 1.00 0.00 N ATOM 117 CA ILE A 11 2.297 -9.516 -10.694 1.00 0.00 C ATOM 118 C ILE A 11 3.354 -9.072 -9.688 1.00 0.00 C ATOM 119 O ILE A 11 3.272 -9.396 -8.503 1.00 0.00 O ATOM 120 CB ILE A 11 1.051 -8.625 -10.539 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.001 -8.998 -11.587 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.431 -7.157 -10.662 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.366 -8.406 -11.309 1.00 0.00 C ATOM 0 H ILE A 11 1.124 -11.100 -9.979 1.00 0.00 H new ATOM 0 HA ILE A 11 2.690 -9.404 -11.704 1.00 0.00 H new ATOM 0 HB ILE A 11 0.626 -8.788 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.339 -8.663 -12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.087 -10.084 -11.634 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.540 -6.540 -10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.150 -6.901 -9.884 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.876 -6.977 -11.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.061 -8.711 -12.091 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.727 -8.761 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.294 -7.319 -11.292 1.00 0.00 H new ATOM 135 N ASP A 12 4.344 -8.326 -10.168 1.00 0.00 N ATOM 136 CA ASP A 12 5.415 -7.834 -9.310 1.00 0.00 C ATOM 137 C ASP A 12 5.104 -6.428 -8.805 1.00 0.00 C ATOM 138 O ASP A 12 5.128 -5.464 -9.568 1.00 0.00 O ATOM 139 CB ASP A 12 6.744 -7.834 -10.067 1.00 0.00 C ATOM 140 CG ASP A 12 7.907 -7.399 -9.197 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.093 -7.995 -8.115 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.629 -6.463 -9.596 1.00 0.00 O ATOM 0 H ASP A 12 4.426 -8.049 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 12 5.494 -8.500 -8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.938 -8.834 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.669 -7.168 -10.927 1.00 0.00 H new ATOM 147 N TYR A 13 4.811 -6.322 -7.513 1.00 0.00 N ATOM 148 CA TYR A 13 4.491 -5.035 -6.907 1.00 0.00 C ATOM 149 C TYR A 13 5.731 -4.149 -6.821 1.00 0.00 C ATOM 150 O TYR A 13 5.630 -2.927 -6.709 1.00 0.00 O ATOM 151 CB TYR A 13 3.901 -5.240 -5.511 1.00 0.00 C ATOM 152 CG TYR A 13 2.848 -6.323 -5.451 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.889 -6.443 -6.449 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.812 -7.227 -4.397 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.924 -7.430 -6.399 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.853 -8.219 -4.338 1.00 0.00 C ATOM 157 CZ TYR A 13 0.911 -8.316 -5.342 1.00 0.00 C ATOM 158 OH TYR A 13 -0.048 -9.303 -5.287 1.00 0.00 O ATOM 0 H TYR A 13 4.789 -7.111 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 13 3.754 -4.538 -7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.705 -5.489 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.465 -4.302 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.898 -5.752 -7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.547 -7.153 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.185 -7.507 -7.182 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.840 -8.914 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 13 0.084 -9.842 -4.480 1.00 0.00 H new ATOM 168 N THR A 14 6.903 -4.776 -6.877 1.00 0.00 N ATOM 169 CA THR A 14 8.163 -4.047 -6.806 1.00 0.00 C ATOM 170 C THR A 14 8.533 -3.456 -8.162 1.00 0.00 C ATOM 171 O THR A 14 9.594 -2.854 -8.318 1.00 0.00 O ATOM 172 CB THR A 14 9.310 -4.956 -6.324 1.00 0.00 C ATOM 173 OG1 THR A 14 9.497 -6.037 -7.243 1.00 0.00 O ATOM 174 CG2 THR A 14 9.019 -5.505 -4.937 1.00 0.00 C ATOM 0 H THR A 14 7.005 -5.787 -6.971 1.00 0.00 H new ATOM 0 HA THR A 14 8.022 -3.240 -6.087 1.00 0.00 H new ATOM 0 HB THR A 14 10.221 -4.360 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.828 -6.732 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.843 -6.144 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.908 -4.679 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.098 -6.087 -4.962 1.00 0.00 H new ATOM 182 N ALA A 15 7.651 -3.633 -9.140 1.00 0.00 N ATOM 183 CA ALA A 15 7.884 -3.114 -10.482 1.00 0.00 C ATOM 184 C ALA A 15 7.352 -1.692 -10.621 1.00 0.00 C ATOM 185 O ALA A 15 7.790 -0.937 -11.490 1.00 0.00 O ATOM 186 CB ALA A 15 7.242 -4.025 -11.519 1.00 0.00 C ATOM 0 H ALA A 15 6.768 -4.132 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 15 8.960 -3.089 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.424 -3.625 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.674 -5.023 -11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.168 -4.080 -11.340 1.00 0.00 H new ATOM 192 N TYR A 16 6.403 -1.334 -9.762 1.00 0.00 N ATOM 193 CA TYR A 16 5.809 -0.003 -9.792 1.00 0.00 C ATOM 194 C TYR A 16 6.684 1.002 -9.050 1.00 0.00 C ATOM 195 O TYR A 16 7.383 0.668 -8.092 1.00 0.00 O ATOM 196 CB TYR A 16 4.410 -0.033 -9.174 1.00 0.00 C ATOM 197 CG TYR A 16 3.395 -0.783 -10.007 1.00 0.00 C ATOM 198 CD1 TYR A 16 2.865 -0.221 -11.163 1.00 0.00 C ATOM 199 CD2 TYR A 16 2.966 -2.051 -9.638 1.00 0.00 C ATOM 200 CE1 TYR A 16 1.937 -0.901 -11.926 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.039 -2.739 -10.398 1.00 0.00 C ATOM 202 CZ TYR A 16 1.527 -2.160 -11.540 1.00 0.00 C ATOM 203 OH TYR A 16 0.603 -2.842 -12.298 1.00 0.00 O ATOM 0 H TYR A 16 6.029 -1.947 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 16 5.733 0.310 -10.833 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.468 -0.492 -8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.064 0.990 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.185 0.764 -11.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.363 -2.507 -8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.534 -0.449 -12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.717 -3.726 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 16 0.424 -3.714 -11.889 1.00 0.00 H new ATOM 213 N PRO A 17 6.646 2.265 -9.500 1.00 0.00 N ATOM 214 CA PRO A 17 7.428 3.346 -8.894 1.00 0.00 C ATOM 215 C PRO A 17 6.919 3.722 -7.506 1.00 0.00 C ATOM 216 O PRO A 17 7.679 4.200 -6.664 1.00 0.00 O ATOM 217 CB PRO A 17 7.237 4.512 -9.867 1.00 0.00 C ATOM 218 CG PRO A 17 5.939 4.232 -10.542 1.00 0.00 C ATOM 219 CD PRO A 17 5.836 2.735 -10.637 1.00 0.00 C ATOM 0 HA PRO A 17 8.470 3.062 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.212 5.467 -9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.054 4.565 -10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.106 4.645 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.907 4.689 -11.531 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.802 2.398 -10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.223 2.365 -11.586 1.00 0.00 H new ATOM 227 N TRP A 18 5.630 3.502 -7.274 1.00 0.00 N ATOM 228 CA TRP A 18 5.019 3.818 -5.989 1.00 0.00 C ATOM 229 C TRP A 18 5.289 2.713 -4.973 1.00 0.00 C ATOM 230 O TRP A 18 4.639 2.645 -3.929 1.00 0.00 O ATOM 231 CB TRP A 18 3.512 4.021 -6.152 1.00 0.00 C ATOM 232 CG TRP A 18 2.874 3.021 -7.069 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.474 3.230 -8.357 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.561 1.658 -6.765 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.931 2.078 -8.874 1.00 0.00 N ATOM 236 CE2 TRP A 18 1.974 1.099 -7.917 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.722 0.853 -5.634 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.548 -0.226 -7.967 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.298 -0.461 -5.684 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.717 -0.991 -6.845 1.00 0.00 C ATOM 0 H TRP A 18 4.988 3.106 -7.960 1.00 0.00 H new ATOM 0 HA TRP A 18 5.464 4.742 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.036 3.961 -5.173 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.327 5.025 -6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.570 4.164 -8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.557 1.970 -9.817 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.170 1.251 -4.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.100 -0.636 -8.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.416 -1.090 -4.814 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.397 -2.022 -6.854 1.00 0.00 H new ATOM 251 N PHE A 19 6.251 1.852 -5.283 1.00 0.00 N ATOM 252 CA PHE A 19 6.606 0.750 -4.397 1.00 0.00 C ATOM 253 C PHE A 19 7.774 1.133 -3.492 1.00 0.00 C ATOM 254 O PHE A 19 8.836 1.533 -3.968 1.00 0.00 O ATOM 255 CB PHE A 19 6.966 -0.493 -5.212 1.00 0.00 C ATOM 256 CG PHE A 19 7.806 -1.484 -4.457 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.213 -2.440 -3.649 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.188 -1.459 -4.557 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.984 -3.352 -2.952 1.00 0.00 C ATOM 260 CE2 PHE A 19 9.963 -2.368 -3.863 1.00 0.00 C ATOM 261 CZ PHE A 19 9.361 -3.316 -3.060 1.00 0.00 C ATOM 0 H PHE A 19 6.800 1.896 -6.142 1.00 0.00 H new ATOM 0 HA PHE A 19 5.741 0.528 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.048 -0.982 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.501 -0.186 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.137 -2.473 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.665 -0.720 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.510 -4.092 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.039 -2.337 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.965 -4.028 -2.517 1.00 0.00 H new ATOM 271 N ALA A 20 7.568 1.008 -2.185 1.00 0.00 N ATOM 272 CA ALA A 20 8.603 1.341 -1.213 1.00 0.00 C ATOM 273 C ALA A 20 9.540 0.160 -0.985 1.00 0.00 C ATOM 274 O ALA A 20 10.746 0.260 -1.208 1.00 0.00 O ATOM 275 CB ALA A 20 7.972 1.779 0.100 1.00 0.00 C ATOM 0 H ALA A 20 6.694 0.679 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 20 9.192 2.167 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.756 2.025 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.349 2.657 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.359 0.970 0.497 1.00 0.00 H new ATOM 281 N GLY A 21 8.978 -0.958 -0.537 1.00 0.00 N ATOM 282 CA GLY A 21 9.779 -2.142 -0.286 1.00 0.00 C ATOM 283 C GLY A 21 10.267 -2.218 1.148 1.00 0.00 C ATOM 284 O GLY A 21 11.395 -1.829 1.448 1.00 0.00 O ATOM 0 H GLY A 21 7.982 -1.065 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.190 -3.030 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.636 -2.147 -0.959 1.00 0.00 H new ATOM 288 N ASN A 22 9.413 -2.718 2.036 1.00 0.00 N ATOM 289 CA ASN A 22 9.763 -2.841 3.447 1.00 0.00 C ATOM 290 C ASN A 22 10.463 -1.580 3.944 1.00 0.00 C ATOM 291 O ASN A 22 11.471 -1.655 4.648 1.00 0.00 O ATOM 292 CB ASN A 22 10.663 -4.059 3.666 1.00 0.00 C ATOM 293 CG ASN A 22 11.166 -4.156 5.093 1.00 0.00 C ATOM 294 OD1 ASN A 22 10.401 -3.997 6.045 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.458 -4.419 5.249 1.00 0.00 N ATOM 0 H ASN A 22 8.475 -3.044 1.804 1.00 0.00 H new ATOM 0 HA ASN A 22 8.842 -2.972 4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.111 -4.965 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.514 -4.006 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.853 -4.497 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.055 -4.543 4.432 1.00 0.00 H new ATOM 302 N MET A 23 9.923 -0.425 3.576 1.00 0.00 N ATOM 303 CA MET A 23 10.495 0.852 3.988 1.00 0.00 C ATOM 304 C MET A 23 10.261 1.099 5.474 1.00 0.00 C ATOM 305 O MET A 23 9.351 0.525 6.073 1.00 0.00 O ATOM 306 CB MET A 23 9.891 1.994 3.168 1.00 0.00 C ATOM 307 CG MET A 23 10.345 3.373 3.619 1.00 0.00 C ATOM 308 SD MET A 23 10.101 4.633 2.353 1.00 0.00 S ATOM 309 CE MET A 23 8.312 4.675 2.259 1.00 0.00 C ATOM 0 H MET A 23 9.090 -0.346 2.993 1.00 0.00 H new ATOM 0 HA MET A 23 11.570 0.814 3.809 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.157 1.858 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.804 1.940 3.231 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.797 3.656 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.400 3.334 3.888 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.991 4.332 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.892 4.023 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.963 5.695 2.420 1.00 0.00 H new ATOM 319 N GLU A 24 11.088 1.956 6.065 1.00 0.00 N ATOM 320 CA GLU A 24 10.971 2.276 7.483 1.00 0.00 C ATOM 321 C GLU A 24 9.848 3.281 7.723 1.00 0.00 C ATOM 322 O GLU A 24 9.829 4.360 7.130 1.00 0.00 O ATOM 323 CB GLU A 24 12.293 2.836 8.014 1.00 0.00 C ATOM 324 CG GLU A 24 13.431 1.829 7.995 1.00 0.00 C ATOM 325 CD GLU A 24 14.713 2.386 8.584 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.773 2.554 9.819 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.654 2.655 7.808 1.00 0.00 O ATOM 0 H GLU A 24 11.846 2.441 5.584 1.00 0.00 H new ATOM 0 HA GLU A 24 10.733 1.356 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.576 3.703 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.146 3.186 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.135 0.941 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.615 1.513 6.968 1.00 0.00 H new ATOM 334 N ARG A 25 8.913 2.918 8.595 1.00 0.00 N ATOM 335 CA ARG A 25 7.785 3.786 8.911 1.00 0.00 C ATOM 336 C ARG A 25 8.236 5.239 9.038 1.00 0.00 C ATOM 337 O ARG A 25 7.837 6.093 8.249 1.00 0.00 O ATOM 338 CB ARG A 25 7.114 3.334 10.210 1.00 0.00 C ATOM 339 CG ARG A 25 5.713 3.891 10.397 1.00 0.00 C ATOM 340 CD ARG A 25 5.344 3.986 11.869 1.00 0.00 C ATOM 341 NE ARG A 25 4.083 4.693 12.074 1.00 0.00 N ATOM 342 CZ ARG A 25 3.552 4.920 13.270 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.172 4.497 14.364 1.00 0.00 N ATOM 344 NH2 ARG A 25 2.400 5.571 13.374 1.00 0.00 N ATOM 0 H ARG A 25 8.914 2.029 9.095 1.00 0.00 H new ATOM 0 HA ARG A 25 7.066 3.716 8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.068 2.245 10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.733 3.639 11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.649 4.879 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.995 3.254 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.269 2.983 12.289 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.139 4.500 12.409 1.00 0.00 H new ATOM 0 HE ARG A 25 3.582 5.032 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.058 3.997 14.287 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.763 4.672 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.921 5.898 12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.993 5.745 14.293 1.00 0.00 H new ATOM 358 N GLN A 26 9.070 5.509 10.038 1.00 0.00 N ATOM 359 CA GLN A 26 9.574 6.857 10.268 1.00 0.00 C ATOM 360 C GLN A 26 9.954 7.529 8.953 1.00 0.00 C ATOM 361 O GLN A 26 9.448 8.601 8.625 1.00 0.00 O ATOM 362 CB GLN A 26 10.784 6.819 11.203 1.00 0.00 C ATOM 363 CG GLN A 26 11.059 8.143 11.897 1.00 0.00 C ATOM 364 CD GLN A 26 12.512 8.300 12.300 1.00 0.00 C ATOM 365 OE1 GLN A 26 13.377 7.548 11.854 1.00 0.00 O ATOM 366 NE2 GLN A 26 12.788 9.283 13.150 1.00 0.00 N ATOM 0 H GLN A 26 9.410 4.812 10.701 1.00 0.00 H new ATOM 0 HA GLN A 26 8.780 7.439 10.736 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.625 6.049 11.958 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.665 6.528 10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.779 8.961 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.430 8.222 12.783 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.040 9.884 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.748 9.437 13.457 1.00 0.00 H new ATOM 375 N GLN A 27 10.847 6.891 8.204 1.00 0.00 N ATOM 376 CA GLN A 27 11.295 7.428 6.925 1.00 0.00 C ATOM 377 C GLN A 27 10.107 7.785 6.039 1.00 0.00 C ATOM 378 O GLN A 27 10.166 8.731 5.252 1.00 0.00 O ATOM 379 CB GLN A 27 12.194 6.417 6.210 1.00 0.00 C ATOM 380 CG GLN A 27 13.058 7.035 5.122 1.00 0.00 C ATOM 381 CD GLN A 27 13.945 6.017 4.433 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.011 5.662 4.939 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.510 5.541 3.273 1.00 0.00 N ATOM 0 H GLN A 27 11.275 6.001 8.461 1.00 0.00 H new ATOM 0 HA GLN A 27 11.865 8.336 7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.839 5.934 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.572 5.638 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.417 7.513 4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.680 7.817 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.621 5.863 2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.065 4.853 2.764 1.00 0.00 H new ATOM 392 N THR A 28 9.026 7.022 6.171 1.00 0.00 N ATOM 393 CA THR A 28 7.824 7.258 5.381 1.00 0.00 C ATOM 394 C THR A 28 7.176 8.588 5.747 1.00 0.00 C ATOM 395 O THR A 28 6.862 9.397 4.873 1.00 0.00 O ATOM 396 CB THR A 28 6.794 6.128 5.576 1.00 0.00 C ATOM 397 OG1 THR A 28 7.465 4.870 5.702 1.00 0.00 O ATOM 398 CG2 THR A 28 5.822 6.075 4.407 1.00 0.00 C ATOM 0 H THR A 28 8.959 6.236 6.817 1.00 0.00 H new ATOM 0 HA THR A 28 8.133 7.284 4.336 1.00 0.00 H new ATOM 0 HB THR A 28 6.232 6.332 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.804 4.158 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.105 5.270 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.292 7.024 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.372 5.893 3.484 1.00 0.00 H new ATOM 406 N ASP A 29 6.982 8.809 7.042 1.00 0.00 N ATOM 407 CA ASP A 29 6.374 10.044 7.524 1.00 0.00 C ATOM 408 C ASP A 29 7.353 11.209 7.419 1.00 0.00 C ATOM 409 O ASP A 29 6.975 12.368 7.587 1.00 0.00 O ATOM 410 CB ASP A 29 5.911 9.879 8.972 1.00 0.00 C ATOM 411 CG ASP A 29 4.739 10.778 9.312 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.757 11.957 8.901 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.803 10.303 9.988 1.00 0.00 O ATOM 0 H ASP A 29 7.237 8.149 7.777 1.00 0.00 H new ATOM 0 HA ASP A 29 5.509 10.262 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.630 8.840 9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.741 10.100 9.643 1.00 0.00 H new ATOM 418 N ASN A 30 8.614 10.892 7.140 1.00 0.00 N ATOM 419 CA ASN A 30 9.648 11.913 7.015 1.00 0.00 C ATOM 420 C ASN A 30 9.751 12.410 5.575 1.00 0.00 C ATOM 421 O ASN A 30 9.905 13.607 5.329 1.00 0.00 O ATOM 422 CB ASN A 30 10.999 11.359 7.472 1.00 0.00 C ATOM 423 CG ASN A 30 11.218 11.527 8.962 1.00 0.00 C ATOM 424 OD1 ASN A 30 11.003 12.606 9.515 1.00 0.00 O ATOM 425 ND2 ASN A 30 11.647 10.457 9.622 1.00 0.00 N ATOM 0 H ASN A 30 8.944 9.937 6.996 1.00 0.00 H new ATOM 0 HA ASN A 30 9.373 12.753 7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.061 10.301 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.798 11.865 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.811 10.510 10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.812 9.583 9.123 1.00 0.00 H new ATOM 432 N LEU A 31 9.663 11.483 4.628 1.00 0.00 N ATOM 433 CA LEU A 31 9.745 11.826 3.212 1.00 0.00 C ATOM 434 C LEU A 31 8.393 12.297 2.686 1.00 0.00 C ATOM 435 O LEU A 31 8.321 13.168 1.819 1.00 0.00 O ATOM 436 CB LEU A 31 10.228 10.621 2.403 1.00 0.00 C ATOM 437 CG LEU A 31 9.232 9.471 2.250 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.394 9.654 0.994 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.960 8.135 2.219 1.00 0.00 C ATOM 0 H LEU A 31 9.535 10.488 4.814 1.00 0.00 H new ATOM 0 HA LEU A 31 10.460 12.641 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.509 10.966 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.132 10.232 2.873 1.00 0.00 H new ATOM 0 HG LEU A 31 8.564 9.477 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.691 8.826 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.843 10.592 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.046 9.675 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.235 7.328 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.652 8.117 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.515 8.001 3.148 1.00 0.00 H new ATOM 451 N LEU A 32 7.322 11.715 3.219 1.00 0.00 N ATOM 452 CA LEU A 32 5.971 12.077 2.805 1.00 0.00 C ATOM 453 C LEU A 32 5.621 13.490 3.262 1.00 0.00 C ATOM 454 O LEU A 32 5.267 14.347 2.452 1.00 0.00 O ATOM 455 CB LEU A 32 4.960 11.080 3.372 1.00 0.00 C ATOM 456 CG LEU A 32 4.794 9.775 2.593 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.644 8.956 3.160 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.569 10.060 1.115 1.00 0.00 C ATOM 0 H LEU A 32 7.364 10.992 3.937 1.00 0.00 H new ATOM 0 HA LEU A 32 5.930 12.048 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.255 10.835 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.989 11.571 3.430 1.00 0.00 H new ATOM 0 HG LEU A 32 5.711 9.195 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.542 8.031 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.846 8.720 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.720 9.529 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.453 9.119 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.668 10.661 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.425 10.604 0.715 1.00 0.00 H new ATOM 470 N LYS A 33 5.724 13.726 4.566 1.00 0.00 N ATOM 471 CA LYS A 33 5.422 15.035 5.132 1.00 0.00 C ATOM 472 C LYS A 33 5.919 16.151 4.219 1.00 0.00 C ATOM 473 O LYS A 33 5.235 17.155 4.019 1.00 0.00 O ATOM 474 CB LYS A 33 6.059 15.174 6.517 1.00 0.00 C ATOM 475 CG LYS A 33 7.563 15.381 6.477 1.00 0.00 C ATOM 476 CD LYS A 33 8.179 15.261 7.862 1.00 0.00 C ATOM 477 CE LYS A 33 9.646 15.661 7.856 1.00 0.00 C ATOM 478 NZ LYS A 33 9.839 17.050 7.354 1.00 0.00 N ATOM 0 H LYS A 33 6.014 13.028 5.250 1.00 0.00 H new ATOM 0 HA LYS A 33 4.339 15.121 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.599 16.014 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.839 14.280 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.015 14.645 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.785 16.364 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.631 15.893 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.082 14.235 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.049 15.580 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.209 14.967 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.556 17.532 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.157 17.020 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.940 17.569 7.414 1.00 0.00 H new ATOM 492 N SER A 34 7.115 15.969 3.666 1.00 0.00 N ATOM 493 CA SER A 34 7.705 16.961 2.775 1.00 0.00 C ATOM 494 C SER A 34 7.012 16.952 1.416 1.00 0.00 C ATOM 495 O SER A 34 6.850 17.995 0.782 1.00 0.00 O ATOM 496 CB SER A 34 9.201 16.695 2.600 1.00 0.00 C ATOM 497 OG SER A 34 9.906 17.896 2.342 1.00 0.00 O ATOM 0 H SER A 34 7.694 15.143 3.820 1.00 0.00 H new ATOM 0 HA SER A 34 7.569 17.944 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.597 16.223 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.355 15.995 1.778 1.00 0.00 H new ATOM 0 HG SER A 34 10.860 17.699 2.236 1.00 0.00 H new ATOM 503 N HIS A 35 6.606 15.766 0.974 1.00 0.00 N ATOM 504 CA HIS A 35 5.930 15.618 -0.309 1.00 0.00 C ATOM 505 C HIS A 35 4.630 16.418 -0.334 1.00 0.00 C ATOM 506 O HIS A 35 4.297 17.110 0.628 1.00 0.00 O ATOM 507 CB HIS A 35 5.640 14.144 -0.592 1.00 0.00 C ATOM 508 CG HIS A 35 6.814 13.399 -1.148 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.378 13.691 -2.372 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.531 12.370 -0.640 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.391 12.871 -2.593 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.505 12.060 -1.557 1.00 0.00 N ATOM 0 H HIS A 35 6.734 14.893 1.486 1.00 0.00 H new ATOM 0 HA HIS A 35 6.590 16.005 -1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.318 13.662 0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.810 14.074 -1.295 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.063 14.424 -3.007 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.368 11.883 0.310 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.019 12.865 -3.472 1.00 0.00 H new ATOM 521 N ALA A 36 3.901 16.318 -1.440 1.00 0.00 N ATOM 522 CA ALA A 36 2.637 17.031 -1.589 1.00 0.00 C ATOM 523 C ALA A 36 1.504 16.292 -0.886 1.00 0.00 C ATOM 524 O ALA A 36 1.705 15.212 -0.330 1.00 0.00 O ATOM 525 CB ALA A 36 2.311 17.223 -3.063 1.00 0.00 C ATOM 0 H ALA A 36 4.163 15.751 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 36 2.742 18.010 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.365 17.756 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.104 17.800 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.230 16.250 -3.547 1.00 0.00 H new ATOM 531 N SER A 37 0.313 16.882 -0.912 1.00 0.00 N ATOM 532 CA SER A 37 -0.852 16.282 -0.273 1.00 0.00 C ATOM 533 C SER A 37 -1.507 15.255 -1.191 1.00 0.00 C ATOM 534 O SER A 37 -2.672 14.903 -1.015 1.00 0.00 O ATOM 535 CB SER A 37 -1.865 17.363 0.108 1.00 0.00 C ATOM 536 OG SER A 37 -2.657 17.735 -1.007 1.00 0.00 O ATOM 0 H SER A 37 0.130 17.775 -1.369 1.00 0.00 H new ATOM 0 HA SER A 37 -0.518 15.773 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.508 16.998 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.341 18.237 0.494 1.00 0.00 H new ATOM 0 HG SER A 37 -3.298 18.426 -0.737 1.00 0.00 H new ATOM 542 N GLY A 38 -0.748 14.778 -2.173 1.00 0.00 N ATOM 543 CA GLY A 38 -1.270 13.797 -3.105 1.00 0.00 C ATOM 544 C GLY A 38 -0.296 12.664 -3.362 1.00 0.00 C ATOM 545 O GLY A 38 -0.539 11.806 -4.211 1.00 0.00 O ATOM 0 H GLY A 38 0.220 15.054 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.202 13.389 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.508 14.288 -4.049 1.00 0.00 H new ATOM 549 N THR A 39 0.812 12.661 -2.627 1.00 0.00 N ATOM 550 CA THR A 39 1.828 11.627 -2.781 1.00 0.00 C ATOM 551 C THR A 39 1.443 10.360 -2.027 1.00 0.00 C ATOM 552 O THR A 39 1.146 10.404 -0.832 1.00 0.00 O ATOM 553 CB THR A 39 3.202 12.112 -2.280 1.00 0.00 C ATOM 554 OG1 THR A 39 3.609 13.272 -3.013 1.00 0.00 O ATOM 555 CG2 THR A 39 4.249 11.018 -2.431 1.00 0.00 C ATOM 0 H THR A 39 1.028 13.363 -1.919 1.00 0.00 H new ATOM 0 HA THR A 39 1.895 11.405 -3.846 1.00 0.00 H new ATOM 0 HB THR A 39 3.111 12.364 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.525 13.148 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.211 11.383 -2.071 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.951 10.146 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.336 10.740 -3.481 1.00 0.00 H new ATOM 563 N TYR A 40 1.449 9.234 -2.730 1.00 0.00 N ATOM 564 CA TYR A 40 1.097 7.954 -2.126 1.00 0.00 C ATOM 565 C TYR A 40 2.233 6.948 -2.282 1.00 0.00 C ATOM 566 O TYR A 40 3.145 7.142 -3.089 1.00 0.00 O ATOM 567 CB TYR A 40 -0.180 7.401 -2.760 1.00 0.00 C ATOM 568 CG TYR A 40 0.027 6.841 -4.150 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.173 7.683 -5.244 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.078 5.469 -4.366 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.361 7.176 -6.516 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.267 4.953 -5.634 1.00 0.00 C ATOM 573 CZ TYR A 40 0.408 5.811 -6.706 1.00 0.00 C ATOM 574 OH TYR A 40 0.596 5.302 -7.970 1.00 0.00 O ATOM 0 H TYR A 40 1.694 9.181 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 40 0.924 8.118 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.584 6.618 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.926 8.194 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.139 8.753 -5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.032 4.795 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.470 7.845 -7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.304 3.884 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 40 0.890 4.369 -7.907 1.00 0.00 H new ATOM 584 N LEU A 41 2.172 5.871 -1.507 1.00 0.00 N ATOM 585 CA LEU A 41 3.195 4.832 -1.557 1.00 0.00 C ATOM 586 C LEU A 41 2.675 3.526 -0.964 1.00 0.00 C ATOM 587 O LEU A 41 1.646 3.508 -0.289 1.00 0.00 O ATOM 588 CB LEU A 41 4.449 5.284 -0.806 1.00 0.00 C ATOM 589 CG LEU A 41 4.390 5.184 0.718 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.906 3.832 1.184 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.188 6.312 1.358 1.00 0.00 C ATOM 0 H LEU A 41 1.424 5.694 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 41 3.449 4.659 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.293 4.689 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.656 6.320 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 41 3.350 5.280 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.857 3.779 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.293 3.040 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.939 3.706 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.135 6.225 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.228 6.248 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.773 7.272 1.050 1.00 0.00 H new ATOM 603 N ILE A 42 3.396 2.439 -1.216 1.00 0.00 N ATOM 604 CA ILE A 42 3.009 1.131 -0.703 1.00 0.00 C ATOM 605 C ILE A 42 4.229 0.334 -0.254 1.00 0.00 C ATOM 606 O ILE A 42 5.036 -0.102 -1.076 1.00 0.00 O ATOM 607 CB ILE A 42 2.238 0.318 -1.759 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.823 0.874 -1.931 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.192 -1.152 -1.366 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.719 1.944 -2.995 1.00 0.00 C ATOM 0 H ILE A 42 4.251 2.438 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 42 2.358 1.307 0.153 1.00 0.00 H new ATOM 0 HB ILE A 42 2.759 0.403 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.148 0.056 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.485 1.285 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.644 -1.714 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.208 -1.540 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.692 -1.256 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.312 2.292 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.368 2.780 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.026 1.532 -3.956 1.00 0.00 H new ATOM 622 N ARG A 43 4.357 0.145 1.055 1.00 0.00 N ATOM 623 CA ARG A 43 5.478 -0.601 1.613 1.00 0.00 C ATOM 624 C ARG A 43 4.993 -1.862 2.323 1.00 0.00 C ATOM 625 O ARG A 43 3.795 -2.043 2.535 1.00 0.00 O ATOM 626 CB ARG A 43 6.266 0.276 2.589 1.00 0.00 C ATOM 627 CG ARG A 43 5.637 0.364 3.971 1.00 0.00 C ATOM 628 CD ARG A 43 4.424 1.281 3.973 1.00 0.00 C ATOM 629 NE ARG A 43 4.231 1.930 5.266 1.00 0.00 N ATOM 630 CZ ARG A 43 3.763 1.305 6.341 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.442 0.020 6.277 1.00 0.00 N ATOM 632 NH2 ARG A 43 3.615 1.964 7.483 1.00 0.00 N ATOM 0 H ARG A 43 3.698 0.498 1.749 1.00 0.00 H new ATOM 0 HA ARG A 43 6.131 -0.896 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.278 -0.118 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.353 1.280 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.342 -0.632 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.374 0.732 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.543 2.041 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.534 0.705 3.720 1.00 0.00 H new ATOM 0 HE ARG A 43 4.469 2.918 5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.554 -0.491 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.083 -0.458 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.861 2.953 7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.256 1.482 8.307 1.00 0.00 H new ATOM 646 N GLU A 44 5.934 -2.729 2.684 1.00 0.00 N ATOM 647 CA GLU A 44 5.601 -3.973 3.367 1.00 0.00 C ATOM 648 C GLU A 44 6.053 -3.932 4.824 1.00 0.00 C ATOM 649 O GLU A 44 7.247 -3.999 5.118 1.00 0.00 O ATOM 650 CB GLU A 44 6.250 -5.162 2.655 1.00 0.00 C ATOM 651 CG GLU A 44 5.772 -6.512 3.164 1.00 0.00 C ATOM 652 CD GLU A 44 6.448 -7.673 2.461 1.00 0.00 C ATOM 653 OE1 GLU A 44 6.512 -7.657 1.214 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.913 -8.598 3.158 1.00 0.00 O ATOM 0 H GLU A 44 6.931 -2.593 2.515 1.00 0.00 H new ATOM 0 HA GLU A 44 4.518 -4.091 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.043 -5.092 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.332 -5.100 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.962 -6.580 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.693 -6.587 3.026 1.00 0.00 H new ATOM 661 N ARG A 45 5.090 -3.819 5.734 1.00 0.00 N ATOM 662 CA ARG A 45 5.389 -3.767 7.160 1.00 0.00 C ATOM 663 C ARG A 45 5.594 -5.170 7.725 1.00 0.00 C ATOM 664 O ARG A 45 4.862 -6.107 7.407 1.00 0.00 O ATOM 665 CB ARG A 45 4.258 -3.064 7.913 1.00 0.00 C ATOM 666 CG ARG A 45 2.980 -3.882 7.997 1.00 0.00 C ATOM 667 CD ARG A 45 1.823 -3.055 8.534 1.00 0.00 C ATOM 668 NE ARG A 45 1.837 -2.975 9.992 1.00 0.00 N ATOM 669 CZ ARG A 45 2.575 -2.106 10.674 1.00 0.00 C ATOM 670 NH1 ARG A 45 3.355 -1.247 10.031 1.00 0.00 N ATOM 671 NH2 ARG A 45 2.534 -2.096 12.000 1.00 0.00 N ATOM 0 H ARG A 45 4.097 -3.762 5.509 1.00 0.00 H new ATOM 0 HA ARG A 45 6.312 -3.203 7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.596 -2.830 8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.040 -2.116 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.727 -4.265 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.141 -4.746 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.871 -2.050 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.881 -3.493 8.204 1.00 0.00 H new ATOM 0 HE ARG A 45 1.248 -3.622 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.389 -1.253 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.921 -0.580 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.936 -2.756 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.101 -1.428 12.523 1.00 0.00 H new ATOM 685 N PRO A 46 6.617 -5.318 8.580 1.00 0.00 N ATOM 686 CA PRO A 46 6.943 -6.603 9.207 1.00 0.00 C ATOM 687 C PRO A 46 5.896 -7.032 10.229 1.00 0.00 C ATOM 688 O PRO A 46 5.858 -6.517 11.346 1.00 0.00 O ATOM 689 CB PRO A 46 8.283 -6.330 9.896 1.00 0.00 C ATOM 690 CG PRO A 46 8.289 -4.862 10.145 1.00 0.00 C ATOM 691 CD PRO A 46 7.531 -4.245 9.003 1.00 0.00 C ATOM 0 HA PRO A 46 6.979 -7.414 8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.371 -6.890 10.827 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.120 -6.628 9.265 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.817 -4.626 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.308 -4.478 10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.987 -3.354 9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.197 -3.943 8.195 1.00 0.00 H new ATOM 699 N ALA A 47 5.049 -7.979 9.839 1.00 0.00 N ATOM 700 CA ALA A 47 4.002 -8.479 10.723 1.00 0.00 C ATOM 701 C ALA A 47 3.355 -9.735 10.152 1.00 0.00 C ATOM 702 O ALA A 47 3.462 -10.010 8.957 1.00 0.00 O ATOM 703 CB ALA A 47 2.953 -7.403 10.960 1.00 0.00 C ATOM 0 H ALA A 47 5.067 -8.415 8.917 1.00 0.00 H new ATOM 0 HA ALA A 47 4.460 -8.740 11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.178 -7.790 11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.422 -6.533 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.507 -7.114 10.008 1.00 0.00 H new ATOM 709 N GLU A 48 2.685 -10.495 11.013 1.00 0.00 N ATOM 710 CA GLU A 48 2.023 -11.724 10.593 1.00 0.00 C ATOM 711 C GLU A 48 0.679 -11.419 9.937 1.00 0.00 C ATOM 712 O GLU A 48 0.519 -11.568 8.725 1.00 0.00 O ATOM 713 CB GLU A 48 1.820 -12.654 11.790 1.00 0.00 C ATOM 714 CG GLU A 48 3.118 -13.128 12.420 1.00 0.00 C ATOM 715 CD GLU A 48 2.895 -13.903 13.705 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.445 -15.064 13.624 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.171 -13.348 14.789 1.00 0.00 O ATOM 0 H GLU A 48 2.587 -10.281 12.005 1.00 0.00 H new ATOM 0 HA GLU A 48 2.661 -12.220 9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.227 -12.137 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.243 -13.522 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.654 -13.757 11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.753 -12.267 12.625 1.00 0.00 H new ATOM 724 N ALA A 49 -0.285 -10.993 10.746 1.00 0.00 N ATOM 725 CA ALA A 49 -1.615 -10.666 10.245 1.00 0.00 C ATOM 726 C ALA A 49 -1.534 -9.745 9.033 1.00 0.00 C ATOM 727 O ALA A 49 -2.175 -9.992 8.012 1.00 0.00 O ATOM 728 CB ALA A 49 -2.449 -10.025 11.344 1.00 0.00 C ATOM 0 H ALA A 49 -0.170 -10.866 11.752 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.097 -11.592 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.439 -9.786 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.544 -10.718 12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.962 -9.111 11.684 1.00 0.00 H new ATOM 734 N GLU A 50 -0.742 -8.684 9.154 1.00 0.00 N ATOM 735 CA GLU A 50 -0.580 -7.726 8.066 1.00 0.00 C ATOM 736 C GLU A 50 0.837 -7.779 7.501 1.00 0.00 C ATOM 737 O GLU A 50 1.812 -7.854 8.250 1.00 0.00 O ATOM 738 CB GLU A 50 -0.895 -6.310 8.553 1.00 0.00 C ATOM 739 CG GLU A 50 -2.284 -6.167 9.151 1.00 0.00 C ATOM 740 CD GLU A 50 -2.447 -6.945 10.441 1.00 0.00 C ATOM 741 OE1 GLU A 50 -1.529 -6.895 11.286 1.00 0.00 O ATOM 742 OE2 GLU A 50 -3.495 -7.605 10.607 1.00 0.00 O ATOM 0 H GLU A 50 -0.204 -8.466 9.993 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.279 -7.993 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.156 -6.019 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.795 -5.617 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.488 -5.113 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.024 -6.511 8.428 1.00 0.00 H new ATOM 749 N ARG A 51 0.941 -7.738 6.177 1.00 0.00 N ATOM 750 CA ARG A 51 2.237 -7.783 5.512 1.00 0.00 C ATOM 751 C ARG A 51 2.469 -6.521 4.687 1.00 0.00 C ATOM 752 O ARG A 51 3.541 -5.917 4.744 1.00 0.00 O ATOM 753 CB ARG A 51 2.330 -9.018 4.612 1.00 0.00 C ATOM 754 CG ARG A 51 2.784 -10.271 5.342 1.00 0.00 C ATOM 755 CD ARG A 51 2.823 -11.474 4.413 1.00 0.00 C ATOM 756 NE ARG A 51 3.949 -11.413 3.485 1.00 0.00 N ATOM 757 CZ ARG A 51 4.068 -12.199 2.421 1.00 0.00 C ATOM 758 NH1 ARG A 51 3.134 -13.101 2.151 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.123 -12.084 1.624 1.00 0.00 N ATOM 0 H ARG A 51 0.144 -7.674 5.544 1.00 0.00 H new ATOM 0 HA ARG A 51 3.009 -7.842 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.355 -9.203 4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.023 -8.811 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.774 -10.107 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.109 -10.474 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.890 -12.387 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.891 -11.527 3.850 1.00 0.00 H new ATOM 0 HE ARG A 51 4.684 -10.729 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.322 -13.192 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.228 -13.703 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.843 -11.391 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.213 -12.688 0.807 1.00 0.00 H new ATOM 773 N PHE A 52 1.457 -6.127 3.921 1.00 0.00 N ATOM 774 CA PHE A 52 1.551 -4.937 3.082 1.00 0.00 C ATOM 775 C PHE A 52 0.759 -3.782 3.687 1.00 0.00 C ATOM 776 O PHE A 52 -0.211 -3.994 4.414 1.00 0.00 O ATOM 777 CB PHE A 52 1.038 -5.239 1.672 1.00 0.00 C ATOM 778 CG PHE A 52 1.959 -6.117 0.875 1.00 0.00 C ATOM 779 CD1 PHE A 52 3.247 -5.702 0.575 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.538 -7.358 0.426 1.00 0.00 C ATOM 781 CE1 PHE A 52 4.097 -6.508 -0.159 1.00 0.00 C ATOM 782 CE2 PHE A 52 2.384 -8.168 -0.307 1.00 0.00 C ATOM 783 CZ PHE A 52 3.665 -7.743 -0.601 1.00 0.00 C ATOM 0 H PHE A 52 0.563 -6.614 3.864 1.00 0.00 H new ATOM 0 HA PHE A 52 2.600 -4.645 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.062 -5.720 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.892 -4.300 1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.591 -4.738 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.537 -7.696 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.098 -6.172 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.044 -9.134 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.327 -8.375 -1.175 1.00 0.00 H new ATOM 793 N ALA A 53 1.180 -2.560 3.382 1.00 0.00 N ATOM 794 CA ALA A 53 0.510 -1.371 3.893 1.00 0.00 C ATOM 795 C ALA A 53 0.631 -0.207 2.914 1.00 0.00 C ATOM 796 O ALA A 53 1.583 -0.136 2.136 1.00 0.00 O ATOM 797 CB ALA A 53 1.082 -0.984 5.249 1.00 0.00 C ATOM 0 H ALA A 53 1.983 -2.367 2.783 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.548 -1.604 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.572 -0.094 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.937 -1.804 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.147 -0.776 5.149 1.00 0.00 H new ATOM 803 N ILE A 54 -0.339 0.699 2.957 1.00 0.00 N ATOM 804 CA ILE A 54 -0.341 1.859 2.073 1.00 0.00 C ATOM 805 C ILE A 54 -0.234 3.155 2.869 1.00 0.00 C ATOM 806 O ILE A 54 -0.872 3.312 3.910 1.00 0.00 O ATOM 807 CB ILE A 54 -1.612 1.904 1.206 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.833 0.557 0.515 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.513 3.023 0.179 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.275 0.301 0.136 1.00 0.00 C ATOM 0 H ILE A 54 -1.134 0.653 3.594 1.00 0.00 H new ATOM 0 HA ILE A 54 0.528 1.762 1.422 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.467 2.104 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.217 0.513 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.492 -0.241 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.419 3.042 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.399 3.978 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.650 2.851 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.357 -0.672 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.894 0.312 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.615 1.078 -0.549 1.00 0.00 H new ATOM 822 N SER A 55 0.574 4.085 2.369 1.00 0.00 N ATOM 823 CA SER A 55 0.766 5.369 3.033 1.00 0.00 C ATOM 824 C SER A 55 0.612 6.520 2.044 1.00 0.00 C ATOM 825 O SER A 55 1.314 6.583 1.034 1.00 0.00 O ATOM 826 CB SER A 55 2.147 5.426 3.689 1.00 0.00 C ATOM 827 OG SER A 55 2.186 6.409 4.710 1.00 0.00 O ATOM 0 H SER A 55 1.106 3.973 1.506 1.00 0.00 H new ATOM 0 HA SER A 55 0.001 5.470 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.394 4.451 4.109 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.902 5.649 2.935 1.00 0.00 H new ATOM 0 HG SER A 55 1.288 6.528 5.084 1.00 0.00 H new ATOM 833 N ILE A 56 -0.310 7.429 2.343 1.00 0.00 N ATOM 834 CA ILE A 56 -0.555 8.579 1.481 1.00 0.00 C ATOM 835 C ILE A 56 -0.594 9.872 2.289 1.00 0.00 C ATOM 836 O ILE A 56 -1.099 9.902 3.411 1.00 0.00 O ATOM 837 CB ILE A 56 -1.878 8.431 0.707 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.023 7.005 0.170 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.943 9.439 -0.430 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.586 6.032 1.182 1.00 0.00 C ATOM 0 H ILE A 56 -0.899 7.392 3.175 1.00 0.00 H new ATOM 0 HA ILE A 56 0.270 8.622 0.769 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.705 8.629 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.670 7.020 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.047 6.649 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.884 9.321 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.880 10.449 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.111 9.270 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.661 5.042 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.928 5.988 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.576 6.364 1.495 1.00 0.00 H new ATOM 852 N LYS A 57 -0.060 10.941 1.709 1.00 0.00 N ATOM 853 CA LYS A 57 -0.035 12.240 2.372 1.00 0.00 C ATOM 854 C LYS A 57 -1.305 13.030 2.069 1.00 0.00 C ATOM 855 O LYS A 57 -1.531 13.450 0.934 1.00 0.00 O ATOM 856 CB LYS A 57 1.192 13.039 1.928 1.00 0.00 C ATOM 857 CG LYS A 57 1.292 14.410 2.574 1.00 0.00 C ATOM 858 CD LYS A 57 1.538 14.304 4.070 1.00 0.00 C ATOM 859 CE LYS A 57 1.256 15.622 4.776 1.00 0.00 C ATOM 860 NZ LYS A 57 2.192 16.696 4.340 1.00 0.00 N ATOM 0 H LYS A 57 0.362 10.934 0.780 1.00 0.00 H new ATOM 0 HA LYS A 57 0.019 12.070 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.091 12.469 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.165 13.158 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.101 14.974 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.372 14.966 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.905 13.522 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.571 14.007 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.230 15.930 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.340 15.482 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.457 17.279 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.046 16.267 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.727 17.293 3.626 1.00 0.00 H new ATOM 874 N PHE A 58 -2.131 13.228 3.091 1.00 0.00 N ATOM 875 CA PHE A 58 -3.377 13.967 2.935 1.00 0.00 C ATOM 876 C PHE A 58 -3.710 14.747 4.203 1.00 0.00 C ATOM 877 O PHE A 58 -3.517 14.257 5.315 1.00 0.00 O ATOM 878 CB PHE A 58 -4.523 13.010 2.597 1.00 0.00 C ATOM 879 CG PHE A 58 -5.879 13.653 2.661 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.288 14.540 1.677 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.745 13.371 3.705 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.535 15.132 1.733 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.993 13.961 3.766 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.389 14.843 2.780 1.00 0.00 C ATOM 0 H PHE A 58 -1.959 12.886 4.037 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.250 14.675 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.367 12.608 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.497 12.166 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.624 14.771 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.441 12.682 4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.842 15.820 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.659 13.732 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.364 15.306 2.827 1.00 0.00 H new ATOM 894 N ASN A 59 -4.210 15.966 4.027 1.00 0.00 N ATOM 895 CA ASN A 59 -4.569 16.816 5.157 1.00 0.00 C ATOM 896 C ASN A 59 -3.345 17.128 6.013 1.00 0.00 C ATOM 897 O ASN A 59 -3.419 17.132 7.242 1.00 0.00 O ATOM 898 CB ASN A 59 -5.643 16.139 6.010 1.00 0.00 C ATOM 899 CG ASN A 59 -7.047 16.484 5.552 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.234 17.142 4.529 1.00 0.00 O ATOM 901 ND2 ASN A 59 -8.042 16.039 6.310 1.00 0.00 N ATOM 0 H ASN A 59 -4.376 16.387 3.113 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.964 17.753 4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.506 15.058 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.519 16.439 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.008 16.239 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.840 15.497 7.150 1.00 0.00 H new ATOM 908 N ASP A 60 -2.221 17.389 5.356 1.00 0.00 N ATOM 909 CA ASP A 60 -0.981 17.703 6.056 1.00 0.00 C ATOM 910 C ASP A 60 -0.656 16.632 7.093 1.00 0.00 C ATOM 911 O ASP A 60 -0.090 16.927 8.144 1.00 0.00 O ATOM 912 CB ASP A 60 -1.085 19.071 6.731 1.00 0.00 C ATOM 913 CG ASP A 60 -1.341 20.189 5.740 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.372 20.647 5.100 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.510 20.606 5.605 1.00 0.00 O ATOM 0 H ASP A 60 -2.143 17.389 4.339 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.175 17.729 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.890 19.050 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.163 19.276 7.274 1.00 0.00 H new ATOM 920 N GLU A 61 -1.019 15.391 6.787 1.00 0.00 N ATOM 921 CA GLU A 61 -0.766 14.277 7.695 1.00 0.00 C ATOM 922 C GLU A 61 -0.586 12.974 6.921 1.00 0.00 C ATOM 923 O GLU A 61 -1.345 12.676 5.999 1.00 0.00 O ATOM 924 CB GLU A 61 -1.917 14.134 8.694 1.00 0.00 C ATOM 925 CG GLU A 61 -1.738 14.969 9.952 1.00 0.00 C ATOM 926 CD GLU A 61 -2.805 14.691 10.992 1.00 0.00 C ATOM 927 OE1 GLU A 61 -4.004 14.804 10.659 1.00 0.00 O ATOM 928 OE2 GLU A 61 -2.441 14.362 12.141 1.00 0.00 O ATOM 0 H GLU A 61 -1.488 15.131 5.919 1.00 0.00 H new ATOM 0 HA GLU A 61 0.155 14.487 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.848 14.422 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.015 13.085 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.756 14.767 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.760 16.026 9.688 1.00 0.00 H new ATOM 935 N VAL A 62 0.426 12.201 7.303 1.00 0.00 N ATOM 936 CA VAL A 62 0.706 10.930 6.646 1.00 0.00 C ATOM 937 C VAL A 62 -0.098 9.798 7.273 1.00 0.00 C ATOM 938 O VAL A 62 0.117 9.433 8.429 1.00 0.00 O ATOM 939 CB VAL A 62 2.205 10.581 6.718 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.460 9.199 6.135 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.032 11.634 5.995 1.00 0.00 C ATOM 0 H VAL A 62 1.065 12.433 8.064 1.00 0.00 H new ATOM 0 HA VAL A 62 0.415 11.042 5.602 1.00 0.00 H new ATOM 0 HB VAL A 62 2.508 10.569 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.524 8.970 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.897 8.456 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.142 9.180 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.088 11.372 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.729 11.680 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.872 12.606 6.462 1.00 0.00 H new ATOM 951 N LYS A 63 -1.028 9.243 6.503 1.00 0.00 N ATOM 952 CA LYS A 63 -1.866 8.149 6.981 1.00 0.00 C ATOM 953 C LYS A 63 -1.215 6.800 6.695 1.00 0.00 C ATOM 954 O LYS A 63 -0.682 6.574 5.608 1.00 0.00 O ATOM 955 CB LYS A 63 -3.246 8.211 6.322 1.00 0.00 C ATOM 956 CG LYS A 63 -4.244 9.070 7.079 1.00 0.00 C ATOM 957 CD LYS A 63 -3.827 10.531 7.094 1.00 0.00 C ATOM 958 CE LYS A 63 -5.030 11.452 7.218 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.680 12.732 7.895 1.00 0.00 N ATOM 0 H LYS A 63 -1.221 9.533 5.544 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.980 8.256 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.139 8.600 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.643 7.200 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.228 8.977 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.335 8.707 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.145 10.707 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.281 10.764 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.430 11.663 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.817 10.948 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.546 13.186 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.040 12.540 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.209 13.365 7.218 1.00 0.00 H new ATOM 973 N HIS A 64 -1.262 5.906 7.678 1.00 0.00 N ATOM 974 CA HIS A 64 -0.678 4.577 7.531 1.00 0.00 C ATOM 975 C HIS A 64 -1.763 3.504 7.533 1.00 0.00 C ATOM 976 O HIS A 64 -2.307 3.160 8.584 1.00 0.00 O ATOM 977 CB HIS A 64 0.323 4.311 8.655 1.00 0.00 C ATOM 978 CG HIS A 64 1.571 5.131 8.553 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.542 4.909 7.599 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.004 6.180 9.291 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.519 5.784 7.756 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.216 6.567 8.776 1.00 0.00 N ATOM 0 H HIS A 64 -1.698 6.077 8.584 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.157 4.539 6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.157 4.513 9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.591 3.254 8.649 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.491 6.629 10.129 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.413 5.848 7.153 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.790 7.335 9.124 1.00 0.00 H new ATOM 991 N ILE A 65 -2.073 2.980 6.353 1.00 0.00 N ATOM 992 CA ILE A 65 -3.091 1.946 6.220 1.00 0.00 C ATOM 993 C ILE A 65 -2.478 0.554 6.318 1.00 0.00 C ATOM 994 O ILE A 65 -1.299 0.360 6.019 1.00 0.00 O ATOM 995 CB ILE A 65 -3.847 2.069 4.884 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.484 3.454 4.757 1.00 0.00 C ATOM 997 CG2 ILE A 65 -4.905 0.981 4.771 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.016 3.751 3.373 1.00 0.00 C ATOM 0 H ILE A 65 -1.634 3.255 5.474 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.794 2.089 7.041 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.135 1.942 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.299 3.537 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.746 4.210 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.430 1.082 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.427 0.002 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.616 1.078 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.453 4.749 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.201 3.701 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.778 3.017 3.111 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.286 -0.414 6.739 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.824 -1.791 6.873 1.00 0.00 C ATOM 1012 C LYS A 66 -3.572 -2.712 5.914 1.00 0.00 C ATOM 1013 O LYS A 66 -4.749 -2.499 5.625 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.014 -2.274 8.313 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.458 -2.585 8.666 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.207 -1.335 9.096 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.385 -1.674 9.998 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.678 -0.579 10.962 1.00 0.00 N ATOM 0 H LYS A 66 -4.263 -0.270 6.993 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.764 -1.819 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.410 -3.168 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.638 -1.512 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.956 -3.031 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.487 -3.322 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.527 -0.664 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.564 -0.802 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.267 -1.865 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.171 -2.592 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.487 -0.848 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.845 -0.413 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.907 0.291 10.440 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.881 -3.737 5.426 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.480 -4.692 4.502 1.00 0.00 C ATOM 1034 C VAL A 67 -3.572 -6.079 5.128 1.00 0.00 C ATOM 1035 O VAL A 67 -2.650 -6.526 5.810 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.678 -4.785 3.191 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.430 -5.614 2.162 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.378 -3.394 2.651 1.00 0.00 C ATOM 0 H VAL A 67 -1.906 -3.927 5.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.484 -4.329 4.280 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.730 -5.282 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.847 -5.668 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.589 -6.620 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.394 -5.149 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.811 -3.478 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.314 -2.869 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.795 -2.837 3.384 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.690 -6.757 4.891 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.902 -8.095 5.430 1.00 0.00 C ATOM 1050 C VAL A 68 -5.047 -9.122 4.311 1.00 0.00 C ATOM 1051 O VAL A 68 -5.376 -8.776 3.177 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.155 -8.148 6.324 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -5.995 -7.224 7.522 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -7.397 -7.786 5.524 1.00 0.00 C ATOM 0 H VAL A 68 -5.463 -6.402 4.329 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.025 -8.337 6.031 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.273 -9.167 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.890 -7.274 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.129 -7.534 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.851 -6.201 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.272 -7.829 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.291 -6.778 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.519 -8.492 4.702 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.799 -10.386 4.641 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.901 -11.463 3.663 1.00 0.00 C ATOM 1066 C GLU A 69 -5.658 -12.654 4.242 1.00 0.00 C ATOM 1067 O GLU A 69 -5.111 -13.431 5.024 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.507 -11.902 3.208 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.858 -10.945 2.224 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.345 -10.948 2.318 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.816 -10.578 3.387 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.689 -11.321 1.323 1.00 0.00 O ATOM 0 H GLU A 69 -4.527 -10.689 5.576 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.455 -11.087 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.864 -12.002 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.578 -12.888 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.156 -11.215 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.228 -9.936 2.407 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.921 -12.790 3.854 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.755 -13.886 4.333 1.00 0.00 C ATOM 1081 C LYS A 70 -8.489 -14.557 3.176 1.00 0.00 C ATOM 1082 O LYS A 70 -8.812 -13.914 2.177 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.766 -13.373 5.362 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.444 -14.479 6.151 1.00 0.00 C ATOM 1085 CD LYS A 70 -10.185 -13.927 7.358 1.00 0.00 C ATOM 1086 CE LYS A 70 -9.224 -13.530 8.469 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.891 -12.697 9.507 1.00 0.00 N ATOM 0 H LYS A 70 -7.390 -12.154 3.209 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.106 -14.623 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.258 -12.702 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.527 -12.785 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.143 -15.012 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.698 -15.203 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.775 -13.061 7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.884 -14.676 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.813 -14.427 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.385 -12.978 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.203 -12.447 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.261 -11.829 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.675 -13.233 9.931 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.751 -15.852 3.319 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.450 -16.608 2.287 1.00 0.00 C ATOM 1103 C ASP A 71 -8.791 -16.407 0.926 1.00 0.00 C ATOM 1104 O ASP A 71 -9.471 -16.322 -0.096 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.919 -16.190 2.224 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.735 -16.765 3.365 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.361 -17.841 3.878 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.748 -16.140 3.745 1.00 0.00 O ATOM 0 H ASP A 71 -8.490 -16.399 4.139 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.393 -17.665 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.985 -15.102 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.346 -16.516 1.276 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.465 -16.329 0.921 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.714 -16.135 -0.314 1.00 0.00 C ATOM 1115 C ASN A 72 -7.118 -14.833 -0.997 1.00 0.00 C ATOM 1116 O ASN A 72 -7.200 -14.762 -2.223 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.942 -17.314 -1.264 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.247 -18.577 -0.795 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.457 -19.173 -1.528 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -6.539 -18.992 0.432 1.00 0.00 N ATOM 0 H ASN A 72 -6.887 -16.397 1.759 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.655 -16.079 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.012 -17.503 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.580 -17.051 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.103 -19.836 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.200 -18.466 1.004 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.368 -13.804 -0.195 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.762 -12.503 -0.722 1.00 0.00 C ATOM 1129 C TRP A 73 -6.925 -11.388 -0.102 1.00 0.00 C ATOM 1130 O TRP A 73 -6.117 -11.632 0.795 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.247 -12.250 -0.455 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.130 -13.376 -0.898 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -11.097 -13.999 -0.160 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.125 -14.016 -2.179 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.693 -14.986 -0.906 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.116 -15.017 -2.148 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.383 -13.840 -3.349 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.380 -15.837 -3.241 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.646 -14.655 -4.433 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.638 -15.643 -4.374 1.00 0.00 C ATOM 0 H TRP A 73 -7.305 -13.846 0.822 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.589 -12.507 -1.798 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.393 -12.081 0.612 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.550 -11.337 -0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.354 -13.752 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.444 -15.598 -0.587 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.617 -13.080 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.144 -16.599 -3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.077 -14.528 -5.342 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.820 -16.263 -5.239 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.124 -10.167 -0.586 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.387 -9.016 -0.078 1.00 0.00 C ATOM 1153 C ILE A 74 -7.270 -7.773 -0.036 1.00 0.00 C ATOM 1154 O ILE A 74 -7.826 -7.359 -1.053 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.143 -8.719 -0.937 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.988 -9.640 -0.535 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.738 -7.259 -0.795 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.003 -9.895 -1.654 1.00 0.00 C ATOM 0 H ILE A 74 -7.789 -9.949 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.068 -9.267 0.934 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.387 -8.908 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.460 -9.199 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.395 -10.593 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.858 -7.064 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.558 -6.620 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.508 -7.045 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.212 -10.555 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.518 -10.364 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.568 -8.950 -1.979 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.392 -7.181 1.148 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.206 -5.983 1.322 1.00 0.00 C ATOM 1172 C HIS A 75 -7.775 -5.210 2.566 1.00 0.00 C ATOM 1173 O HIS A 75 -6.794 -5.565 3.219 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.686 -6.356 1.427 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.965 -7.412 2.451 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.154 -7.133 3.788 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.091 -8.754 2.328 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.381 -8.257 4.443 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.348 -9.257 3.580 1.00 0.00 N ATOM 0 H HIS A 75 -6.938 -7.511 2.000 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.061 -5.345 0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.261 -5.463 1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.035 -6.703 0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.005 -9.324 1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.563 -8.344 5.504 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.490 -10.241 3.806 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.514 -4.152 2.883 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.208 -3.330 4.047 1.00 0.00 C ATOM 1190 C ILE A 76 -9.472 -2.992 4.830 1.00 0.00 C ATOM 1191 O ILE A 76 -10.552 -2.847 4.256 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.503 -2.022 3.643 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.463 -1.119 2.867 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.262 -2.323 2.815 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.935 0.283 2.655 1.00 0.00 C ATOM 0 H ILE A 76 -9.328 -3.844 2.351 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.538 -3.914 4.678 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.193 -1.498 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.670 -1.571 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.411 -1.065 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.775 -1.389 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.573 -2.932 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.549 -2.865 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.667 0.867 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.754 0.754 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.002 0.239 2.093 1.00 0.00 H new ATOM 1207 N THR A 77 -9.331 -2.865 6.146 1.00 0.00 N ATOM 1208 CA THR A 77 -10.462 -2.543 7.007 1.00 0.00 C ATOM 1209 C THR A 77 -11.749 -3.166 6.482 1.00 0.00 C ATOM 1210 O THR A 77 -12.833 -2.608 6.650 1.00 0.00 O ATOM 1211 CB THR A 77 -10.656 -1.020 7.134 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.533 -0.726 8.227 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.226 -0.439 5.850 1.00 0.00 C ATOM 0 H THR A 77 -8.445 -2.980 6.638 1.00 0.00 H new ATOM 0 HA THR A 77 -10.237 -2.956 7.990 1.00 0.00 H new ATOM 0 HB THR A 77 -9.682 -0.567 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.396 -1.167 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.354 0.637 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.542 -0.638 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.191 -0.899 5.639 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.624 -4.326 5.845 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.779 -5.025 5.295 1.00 0.00 C ATOM 1223 C GLU A 78 -13.662 -4.069 4.497 1.00 0.00 C ATOM 1224 O GLU A 78 -14.880 -4.038 4.675 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.593 -5.673 6.416 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.959 -6.935 6.976 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.958 -7.820 7.695 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.418 -7.429 8.787 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -14.280 -8.904 7.165 1.00 0.00 O ATOM 0 H GLU A 78 -10.734 -4.802 5.697 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.416 -5.804 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.722 -4.952 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.588 -5.912 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.500 -7.498 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.160 -6.661 7.665 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.040 -3.291 3.618 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.768 -2.336 2.792 1.00 0.00 C ATOM 1238 C ALA A 79 -14.080 -2.923 1.419 1.00 0.00 C ATOM 1239 O ALA A 79 -15.237 -2.976 1.002 1.00 0.00 O ATOM 1240 CB ALA A 79 -12.973 -1.047 2.649 1.00 0.00 C ATOM 0 H ALA A 79 -12.032 -3.303 3.459 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.714 -2.113 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.529 -0.343 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.807 -0.611 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.012 -1.262 2.181 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.039 -3.363 0.719 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.201 -3.946 -0.607 1.00 0.00 C ATOM 1248 C LYS A 80 -12.357 -5.209 -0.752 1.00 0.00 C ATOM 1249 O LYS A 80 -11.135 -5.171 -0.614 1.00 0.00 O ATOM 1250 CB LYS A 80 -12.809 -2.932 -1.685 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.973 -2.093 -2.182 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.950 -2.923 -2.999 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.585 -2.920 -4.476 1.00 0.00 C ATOM 1254 NZ LYS A 80 -13.670 -4.043 -4.823 1.00 0.00 N ATOM 0 H LYS A 80 -12.074 -3.327 1.049 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.250 -4.213 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.039 -2.271 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.368 -3.463 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.492 -1.650 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.596 -1.270 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.958 -3.948 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.959 -2.530 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.493 -2.993 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.110 -1.973 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.014 -4.519 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.714 -3.672 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.642 -4.724 -4.037 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.018 -6.327 -1.033 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.330 -7.602 -1.200 1.00 0.00 C ATOM 1270 C LYS A 81 -11.759 -7.731 -2.608 1.00 0.00 C ATOM 1271 O LYS A 81 -12.503 -7.840 -3.584 1.00 0.00 O ATOM 1272 CB LYS A 81 -13.287 -8.762 -0.918 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.690 -8.538 -1.457 1.00 0.00 C ATOM 1274 CD LYS A 81 -15.361 -9.851 -1.826 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.502 -9.636 -2.809 1.00 0.00 C ATOM 1276 NZ LYS A 81 -17.794 -9.386 -2.113 1.00 0.00 N ATOM 0 H LYS A 81 -14.030 -6.376 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.506 -7.638 -0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.880 -9.673 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.342 -8.923 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.290 -8.019 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.645 -7.892 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.626 -10.527 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.741 -10.333 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.269 -8.791 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.599 -10.512 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.546 -9.244 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.030 -10.203 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.710 -8.535 -1.520 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.434 -7.720 -2.708 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.763 -7.837 -3.997 1.00 0.00 C ATOM 1292 C PHE A 82 -9.000 -9.154 -4.095 1.00 0.00 C ATOM 1293 O PHE A 82 -8.816 -9.854 -3.100 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.803 -6.663 -4.205 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.497 -5.335 -4.326 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.174 -4.997 -5.486 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.472 -4.428 -3.279 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -10.812 -3.776 -5.601 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.109 -3.206 -3.388 1.00 0.00 C ATOM 1300 CZ PHE A 82 -10.781 -2.881 -4.550 1.00 0.00 C ATOM 0 H PHE A 82 -9.803 -7.631 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.524 -7.818 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.103 -6.624 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.215 -6.840 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.204 -5.695 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.949 -4.678 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.334 -3.522 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.081 -2.506 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.282 -1.928 -4.637 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.559 -9.487 -5.304 1.00 0.00 N ATOM 1311 CA ASP A 83 -7.817 -10.720 -5.536 1.00 0.00 C ATOM 1312 C ASP A 83 -6.334 -10.526 -5.231 1.00 0.00 C ATOM 1313 O ASP A 83 -5.644 -11.466 -4.833 1.00 0.00 O ATOM 1314 CB ASP A 83 -7.997 -11.187 -6.981 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.301 -12.506 -7.254 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.100 -12.484 -7.592 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -7.959 -13.560 -7.131 1.00 0.00 O ATOM 0 H ASP A 83 -8.703 -8.919 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.211 -11.484 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.060 -11.289 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.606 -10.426 -7.657 1.00 0.00 H new ATOM 1322 N SER A 84 -5.850 -9.303 -5.421 1.00 0.00 N ATOM 1323 CA SER A 84 -4.449 -8.988 -5.172 1.00 0.00 C ATOM 1324 C SER A 84 -4.299 -7.567 -4.635 1.00 0.00 C ATOM 1325 O SER A 84 -5.273 -6.816 -4.552 1.00 0.00 O ATOM 1326 CB SER A 84 -3.633 -9.149 -6.455 1.00 0.00 C ATOM 1327 OG SER A 84 -3.571 -10.507 -6.854 1.00 0.00 O ATOM 0 H SER A 84 -6.408 -8.514 -5.747 1.00 0.00 H new ATOM 0 HA SER A 84 -4.073 -9.683 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.080 -8.553 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.624 -8.767 -6.298 1.00 0.00 H new ATOM 0 HG SER A 84 -3.045 -10.582 -7.678 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.074 -7.205 -4.271 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.795 -5.875 -3.741 1.00 0.00 C ATOM 1335 C LEU A 85 -2.972 -4.812 -4.821 1.00 0.00 C ATOM 1336 O LEU A 85 -3.569 -3.761 -4.579 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.373 -5.817 -3.181 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.826 -4.420 -2.883 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.508 -3.829 -1.658 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.682 -4.469 -2.683 1.00 0.00 C ATOM 0 H LEU A 85 -2.258 -7.814 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.504 -5.673 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.342 -6.401 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.704 -6.304 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.039 -3.778 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.106 -2.835 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.581 -3.757 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.327 -4.471 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.054 -3.466 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.917 -5.127 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.157 -4.849 -3.588 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.452 -5.091 -6.011 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.556 -4.159 -7.128 1.00 0.00 C ATOM 1354 C LEU A 86 -3.993 -3.681 -7.309 1.00 0.00 C ATOM 1355 O LEU A 86 -4.259 -2.481 -7.339 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.060 -4.819 -8.415 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.300 -4.036 -9.707 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.421 -2.797 -9.751 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -2.044 -4.918 -10.921 1.00 0.00 C ATOM 0 H LEU A 86 -1.954 -5.955 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.932 -3.294 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.990 -5.001 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.541 -5.793 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.342 -3.718 -9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.605 -2.253 -10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.653 -2.156 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.373 -3.093 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.220 -4.344 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.012 -5.267 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.717 -5.775 -10.897 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.916 -4.631 -7.426 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.327 -4.306 -7.601 1.00 0.00 C ATOM 1373 C GLU A 87 -6.775 -3.257 -6.588 1.00 0.00 C ATOM 1374 O GLU A 87 -7.457 -2.292 -6.937 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.184 -5.565 -7.460 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.406 -6.303 -8.770 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.586 -7.253 -8.713 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.416 -8.377 -8.197 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.678 -6.873 -9.184 1.00 0.00 O ATOM 0 H GLU A 87 -4.712 -5.630 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.457 -3.896 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.708 -6.240 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.151 -5.290 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.566 -5.578 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.506 -6.863 -9.024 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.385 -3.451 -5.333 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.745 -2.522 -4.268 1.00 0.00 C ATOM 1388 C LEU A 88 -6.195 -1.128 -4.551 1.00 0.00 C ATOM 1389 O LEU A 88 -6.873 -0.125 -4.331 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.218 -3.027 -2.924 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.544 -2.161 -1.707 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.492 -2.990 -0.433 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.584 -0.984 -1.617 1.00 0.00 C ATOM 0 H LEU A 88 -5.819 -4.243 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.832 -2.461 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.618 -4.026 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.135 -3.126 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.556 -1.772 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.727 -2.357 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.219 -3.800 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.493 -3.408 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.831 -0.379 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.563 -1.354 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.669 -0.375 -2.517 1.00 0.00 H new ATOM 1405 N VAL A 89 -4.962 -1.074 -5.044 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.320 0.197 -5.362 1.00 0.00 C ATOM 1407 C VAL A 89 -4.983 0.862 -6.563 1.00 0.00 C ATOM 1408 O VAL A 89 -5.435 2.004 -6.481 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.820 0.011 -5.655 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.140 1.360 -5.840 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.154 -0.783 -4.541 1.00 0.00 C ATOM 0 H VAL A 89 -4.387 -1.895 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.434 0.837 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.716 -0.551 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.081 1.208 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.600 1.888 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.252 1.951 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.094 -0.905 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.267 -0.250 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.623 -1.764 -4.462 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.038 0.139 -7.677 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.646 0.661 -8.896 1.00 0.00 C ATOM 1423 C GLU A 90 -7.050 1.191 -8.619 1.00 0.00 C ATOM 1424 O GLU A 90 -7.486 2.169 -9.228 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.704 -0.429 -9.970 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.336 -0.860 -10.472 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.407 -1.596 -11.796 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.777 -2.788 -11.794 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.092 -0.977 -12.835 1.00 0.00 O ATOM 0 H GLU A 90 -4.670 -0.808 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.029 1.484 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.224 -1.298 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.294 -0.067 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.700 0.018 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.866 -1.503 -9.728 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.751 0.541 -7.698 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.106 0.945 -7.342 1.00 0.00 C ATOM 1438 C TYR A 91 -9.122 2.363 -6.780 1.00 0.00 C ATOM 1439 O TYR A 91 -9.870 3.221 -7.250 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.699 -0.026 -6.320 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.210 -0.063 -6.325 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -11.907 -0.640 -7.381 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.942 0.479 -5.277 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.288 -0.674 -7.391 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.323 0.447 -5.278 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.992 -0.130 -6.337 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.367 -0.163 -6.342 1.00 0.00 O ATOM 0 H TYR A 91 -7.404 -0.268 -7.184 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.713 0.925 -8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.319 -1.028 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.354 0.253 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.359 -1.069 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.423 0.934 -4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.814 -1.124 -8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.876 0.872 -4.453 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.707 0.261 -5.527 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.290 2.602 -5.772 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.209 3.916 -5.145 1.00 0.00 C ATOM 1459 C TYR A 92 -7.481 4.908 -6.048 1.00 0.00 C ATOM 1460 O TYR A 92 -7.649 6.119 -5.918 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.492 3.816 -3.797 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.141 2.845 -2.837 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.519 2.823 -2.666 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.374 1.949 -2.101 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.116 1.938 -1.789 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.963 1.060 -1.222 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.334 1.058 -1.070 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.925 0.174 -0.196 1.00 0.00 O ATOM 0 H TYR A 92 -7.663 1.904 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.225 4.277 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.459 3.511 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.462 4.804 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.135 3.510 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.300 1.948 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.189 1.935 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.353 0.371 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.282 -0.525 0.047 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.673 4.382 -6.963 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.920 5.220 -7.888 1.00 0.00 C ATOM 1480 C GLN A 93 -6.846 6.170 -8.639 1.00 0.00 C ATOM 1481 O GLN A 93 -6.413 7.209 -9.139 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.145 4.351 -8.881 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.756 3.968 -8.399 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.833 3.571 -9.535 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -2.981 4.040 -10.663 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.873 2.703 -9.241 1.00 0.00 N ATOM 0 H GLN A 93 -6.523 3.380 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.214 5.814 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.715 3.443 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.058 4.885 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.319 4.807 -7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.835 3.140 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.787 2.340 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.221 2.399 -9.964 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.121 5.807 -8.716 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.110 6.627 -9.409 1.00 0.00 C ATOM 1497 C CYS A 94 -10.289 6.946 -8.494 1.00 0.00 C ATOM 1498 O CYS A 94 -10.929 7.989 -8.631 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.604 5.912 -10.667 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.446 5.975 -12.054 1.00 0.00 S ATOM 0 H CYS A 94 -8.495 4.951 -8.307 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.633 7.564 -9.696 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.806 4.869 -10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.550 6.356 -10.977 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.951 5.341 -13.070 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.570 6.040 -7.562 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.672 6.225 -6.626 1.00 0.00 C ATOM 1508 C HIS A 95 -11.165 6.749 -5.286 1.00 0.00 C ATOM 1509 O HIS A 95 -10.224 6.202 -4.710 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.422 4.908 -6.421 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.450 4.039 -7.641 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.289 2.671 -7.594 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.623 4.352 -8.946 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.361 2.179 -8.818 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.564 3.179 -9.657 1.00 0.00 N ATOM 0 H HIS A 95 -10.050 5.172 -7.436 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.355 6.961 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.956 4.358 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.446 5.126 -6.116 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.138 2.124 -6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.779 5.340 -9.353 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.270 1.137 -9.087 1.00 0.00 H new ATOM 1524 N SER A 96 -11.794 7.812 -4.794 1.00 0.00 N ATOM 1525 CA SER A 96 -11.404 8.411 -3.524 1.00 0.00 C ATOM 1526 C SER A 96 -11.266 7.348 -2.440 1.00 0.00 C ATOM 1527 O SER A 96 -12.143 6.498 -2.272 1.00 0.00 O ATOM 1528 CB SER A 96 -12.429 9.463 -3.095 1.00 0.00 C ATOM 1529 OG SER A 96 -11.965 10.204 -1.980 1.00 0.00 O ATOM 0 H SER A 96 -12.576 8.276 -5.256 1.00 0.00 H new ATOM 0 HA SER A 96 -10.436 8.892 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.630 10.139 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.371 8.976 -2.845 1.00 0.00 H new ATOM 0 HG SER A 96 -12.638 10.870 -1.727 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.159 7.399 -1.706 1.00 0.00 N ATOM 1536 CA LEU A 97 -9.905 6.441 -0.636 1.00 0.00 C ATOM 1537 C LEU A 97 -11.009 6.491 0.415 1.00 0.00 C ATOM 1538 O LEU A 97 -11.089 5.629 1.290 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.551 6.721 0.017 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.344 6.031 -0.619 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.090 6.873 -0.438 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.147 4.645 -0.022 1.00 0.00 C ATOM 0 H LEU A 97 -9.423 8.094 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.891 5.443 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.379 7.797 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.606 6.421 1.064 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.533 5.923 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.242 6.366 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.232 7.844 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.897 7.014 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.284 4.168 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.980 4.732 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.036 4.041 -0.203 1.00 0.00 H new ATOM 1554 N LYS A 98 -11.862 7.506 0.321 1.00 0.00 N ATOM 1555 CA LYS A 98 -12.965 7.669 1.261 1.00 0.00 C ATOM 1556 C LYS A 98 -13.707 6.352 1.463 1.00 0.00 C ATOM 1557 O LYS A 98 -14.244 6.090 2.538 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.935 8.741 0.760 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.084 8.186 -0.063 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.833 9.290 -0.792 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.981 9.831 0.046 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.788 10.835 -0.701 1.00 0.00 N ATOM 0 H LYS A 98 -11.810 8.228 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.550 7.982 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.340 9.281 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.385 9.464 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.700 7.467 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.772 7.647 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.145 10.100 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.219 8.907 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.624 9.007 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.585 10.286 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.560 11.180 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.181 11.633 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.187 10.394 -1.554 1.00 0.00 H new ATOM 1576 N GLU A 99 -13.732 5.526 0.421 1.00 0.00 N ATOM 1577 CA GLU A 99 -14.408 4.236 0.486 1.00 0.00 C ATOM 1578 C GLU A 99 -14.034 3.488 1.762 1.00 0.00 C ATOM 1579 O GLU A 99 -14.891 2.912 2.430 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.054 3.388 -0.738 1.00 0.00 C ATOM 1581 CG GLU A 99 -14.571 3.961 -2.047 1.00 0.00 C ATOM 1582 CD GLU A 99 -14.855 2.889 -3.082 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -15.431 1.844 -2.710 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -14.502 3.094 -4.261 1.00 0.00 O ATOM 0 H GLU A 99 -13.292 5.727 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.483 4.418 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.970 3.287 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.460 2.385 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.483 4.527 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.838 4.662 -2.447 1.00 0.00 H new ATOM 1591 N SER A 100 -12.747 3.503 2.093 1.00 0.00 N ATOM 1592 CA SER A 100 -12.256 2.823 3.286 1.00 0.00 C ATOM 1593 C SER A 100 -12.486 3.676 4.530 1.00 0.00 C ATOM 1594 O SER A 100 -13.217 3.284 5.439 1.00 0.00 O ATOM 1595 CB SER A 100 -10.767 2.503 3.141 1.00 0.00 C ATOM 1596 OG SER A 100 -10.221 2.049 4.368 1.00 0.00 O ATOM 0 H SER A 100 -12.025 3.979 1.552 1.00 0.00 H new ATOM 0 HA SER A 100 -12.811 1.891 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.629 1.741 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.231 3.392 2.808 1.00 0.00 H new ATOM 0 HG SER A 100 -9.675 2.759 4.766 1.00 0.00 H new ATOM 1602 N PHE A 101 -11.856 4.845 4.562 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.991 5.755 5.694 1.00 0.00 C ATOM 1604 C PHE A 101 -12.841 6.966 5.322 1.00 0.00 C ATOM 1605 O PHE A 101 -12.986 7.300 4.146 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.612 6.215 6.173 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.671 5.082 6.466 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -8.881 4.542 5.465 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.577 4.554 7.745 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.013 3.500 5.731 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.711 3.512 8.017 1.00 0.00 C ATOM 1612 CZ PHE A 101 -7.929 2.983 7.009 1.00 0.00 C ATOM 0 H PHE A 101 -11.247 5.185 3.818 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.489 5.218 6.501 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.168 6.858 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.731 6.819 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.944 4.940 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.187 4.962 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.401 3.091 4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.646 3.111 9.018 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.253 2.167 7.220 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.403 7.619 6.332 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.240 8.794 6.113 1.00 0.00 C ATOM 1624 C LYS A 102 -13.417 10.074 6.209 1.00 0.00 C ATOM 1625 O LYS A 102 -13.747 11.083 5.586 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.379 8.831 7.135 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.811 10.237 7.514 1.00 0.00 C ATOM 1628 CD LYS A 102 -17.273 10.280 7.926 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.473 9.733 9.331 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.819 10.069 9.870 1.00 0.00 N ATOM 0 H LYS A 102 -13.295 7.355 7.311 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.661 8.727 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.236 8.293 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.066 8.301 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.191 10.601 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.650 10.908 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.635 11.307 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.868 9.700 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.346 8.651 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.706 10.138 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.916 9.679 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.931 11.102 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.551 9.661 9.254 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.343 10.024 6.990 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.472 11.182 7.165 1.00 0.00 C ATOM 1646 C GLN A 103 -10.433 11.253 6.052 1.00 0.00 C ATOM 1647 O GLN A 103 -9.620 12.178 6.005 1.00 0.00 O ATOM 1648 CB GLN A 103 -10.777 11.121 8.526 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.696 11.439 9.694 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.124 10.994 11.025 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.069 10.362 11.080 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.820 11.321 12.109 1.00 0.00 N ATOM 0 H GLN A 103 -12.055 9.196 7.511 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.088 12.080 7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.357 10.125 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.942 11.822 8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.881 12.513 9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.659 10.953 9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.690 11.846 12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.484 11.047 13.032 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.461 10.271 5.158 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.521 10.222 4.044 1.00 0.00 C ATOM 1663 C LEU A 104 -10.246 10.384 2.711 1.00 0.00 C ATOM 1664 O LEU A 104 -10.930 9.471 2.251 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.749 8.901 4.060 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.311 8.958 3.543 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.403 9.627 4.562 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.808 7.560 3.214 1.00 0.00 C ATOM 0 H LEU A 104 -11.125 9.497 5.183 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.819 11.048 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.731 8.526 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.300 8.174 3.463 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.297 9.553 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.384 9.658 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.752 10.643 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.421 9.060 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.783 7.619 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.837 6.942 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.443 7.116 2.447 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.088 11.551 2.096 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.725 11.831 0.815 1.00 0.00 C ATOM 1682 C ASP A 105 -9.690 12.248 -0.226 1.00 0.00 C ATOM 1683 O ASP A 105 -9.438 13.436 -0.427 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.777 12.930 0.973 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.777 12.619 2.069 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.345 12.329 3.204 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.994 12.667 1.792 1.00 0.00 O ATOM 0 H ASP A 105 -9.525 12.318 2.464 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.213 10.918 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.281 13.875 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.306 13.062 0.029 1.00 0.00 H new ATOM 1692 N THR A 106 -9.092 11.261 -0.886 1.00 0.00 N ATOM 1693 CA THR A 106 -8.083 11.524 -1.904 1.00 0.00 C ATOM 1694 C THR A 106 -7.810 10.280 -2.743 1.00 0.00 C ATOM 1695 O THR A 106 -8.118 9.161 -2.331 1.00 0.00 O ATOM 1696 CB THR A 106 -6.762 12.006 -1.276 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.923 12.585 -2.281 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.031 10.852 -0.602 1.00 0.00 C ATOM 0 H THR A 106 -9.289 10.272 -0.733 1.00 0.00 H new ATOM 0 HA THR A 106 -8.480 12.311 -2.545 1.00 0.00 H new ATOM 0 HB THR A 106 -6.997 12.758 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.086 12.890 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.101 11.216 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.660 10.432 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.808 10.082 -1.340 1.00 0.00 H new ATOM 1706 N THR A 107 -7.229 10.481 -3.921 1.00 0.00 N ATOM 1707 CA THR A 107 -6.915 9.376 -4.818 1.00 0.00 C ATOM 1708 C THR A 107 -5.446 9.398 -5.225 1.00 0.00 C ATOM 1709 O THR A 107 -4.925 10.432 -5.646 1.00 0.00 O ATOM 1710 CB THR A 107 -7.789 9.415 -6.086 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.738 10.719 -6.675 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.231 9.055 -5.760 1.00 0.00 C ATOM 0 H THR A 107 -6.966 11.400 -4.277 1.00 0.00 H new ATOM 0 HA THR A 107 -7.123 8.456 -4.271 1.00 0.00 H new ATOM 0 HB THR A 107 -7.400 8.682 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.878 11.139 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.829 9.089 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.269 8.051 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.629 9.767 -5.037 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.784 8.254 -5.099 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.374 8.142 -5.455 1.00 0.00 C ATOM 1722 C LEU A 108 -3.041 9.036 -6.645 1.00 0.00 C ATOM 1723 O LEU A 108 -3.314 8.688 -7.794 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.024 6.689 -5.780 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.557 5.636 -4.808 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.133 4.243 -5.244 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.074 5.924 -3.394 1.00 0.00 C ATOM 0 H LEU A 108 -5.201 7.390 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.781 8.469 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.402 6.459 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.939 6.599 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.646 5.680 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.522 3.507 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.528 4.037 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.045 4.184 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.463 5.165 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.984 5.908 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.429 6.906 -3.081 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.446 10.191 -6.363 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.072 11.135 -7.409 1.00 0.00 C ATOM 1741 C LYS A 109 -0.664 10.847 -7.923 1.00 0.00 C ATOM 1742 O LYS A 109 -0.489 10.335 -9.028 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.151 12.569 -6.883 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.526 13.196 -7.032 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.548 14.624 -6.512 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.969 15.115 -6.289 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.540 15.735 -7.517 1.00 0.00 N ATOM 0 H LYS A 109 -2.213 10.495 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.773 11.019 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.869 12.577 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.422 13.182 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.820 13.186 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.260 12.599 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.992 14.680 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.043 15.279 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.597 14.280 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.979 15.842 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.510 16.057 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.955 16.547 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.554 15.034 -8.285 1.00 0.00 H new ATOM 1761 N TYR A 110 0.335 11.178 -7.112 1.00 0.00 N ATOM 1762 CA TYR A 110 1.727 10.956 -7.484 1.00 0.00 C ATOM 1763 C TYR A 110 2.390 9.957 -6.543 1.00 0.00 C ATOM 1764 O TYR A 110 2.031 9.834 -5.372 1.00 0.00 O ATOM 1765 CB TYR A 110 2.498 12.278 -7.469 1.00 0.00 C ATOM 1766 CG TYR A 110 1.724 13.437 -8.055 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.780 13.719 -9.414 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.938 14.251 -7.248 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.075 14.778 -9.953 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.229 15.311 -7.779 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.300 15.570 -9.131 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.404 16.625 -9.665 1.00 0.00 O ATOM 0 H TYR A 110 0.206 11.601 -6.193 1.00 0.00 H new ATOM 0 HA TYR A 110 1.745 10.544 -8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.772 12.517 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.427 12.154 -8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.385 13.100 -10.060 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.881 14.051 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.130 14.985 -11.012 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.378 15.934 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.900 17.081 -8.953 1.00 0.00 H new ATOM 1782 N PRO A 111 3.385 9.223 -7.066 1.00 0.00 N ATOM 1783 CA PRO A 111 4.121 8.220 -6.290 1.00 0.00 C ATOM 1784 C PRO A 111 5.014 8.851 -5.228 1.00 0.00 C ATOM 1785 O PRO A 111 4.917 10.047 -4.952 1.00 0.00 O ATOM 1786 CB PRO A 111 4.969 7.507 -7.345 1.00 0.00 C ATOM 1787 CG PRO A 111 5.133 8.508 -8.438 1.00 0.00 C ATOM 1788 CD PRO A 111 3.866 9.315 -8.454 1.00 0.00 C ATOM 0 HA PRO A 111 3.451 7.557 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.934 7.203 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.476 6.604 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.999 9.145 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.294 8.016 -9.397 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.052 10.348 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.140 8.909 -9.159 1.00 0.00 H new ATOM 1796 N TYR A 112 5.882 8.041 -4.633 1.00 0.00 N ATOM 1797 CA TYR A 112 6.792 8.519 -3.599 1.00 0.00 C ATOM 1798 C TYR A 112 8.167 8.829 -4.183 1.00 0.00 C ATOM 1799 O TYR A 112 8.597 8.204 -5.153 1.00 0.00 O ATOM 1800 CB TYR A 112 6.921 7.481 -2.483 1.00 0.00 C ATOM 1801 CG TYR A 112 8.008 6.460 -2.731 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.224 5.940 -4.001 1.00 0.00 C ATOM 1803 CD2 TYR A 112 8.817 6.012 -1.694 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.215 5.005 -4.232 1.00 0.00 C ATOM 1805 CE2 TYR A 112 9.811 5.079 -1.915 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.007 4.579 -3.186 1.00 0.00 C ATOM 1807 OH TYR A 112 10.995 3.648 -3.411 1.00 0.00 O ATOM 0 H TYR A 112 5.975 7.049 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 112 6.378 9.438 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.123 7.994 -1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.968 6.964 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.606 6.272 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.666 6.400 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.368 4.610 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.431 4.743 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 112 10.587 2.785 -3.633 1.00 0.00 H new ATOM 1817 N SER A 113 8.852 9.798 -3.584 1.00 0.00 N ATOM 1818 CA SER A 113 10.177 10.194 -4.047 1.00 0.00 C ATOM 1819 C SER A 113 10.958 8.988 -4.558 1.00 0.00 C ATOM 1820 O SER A 113 11.104 8.795 -5.765 1.00 0.00 O ATOM 1821 CB SER A 113 10.952 10.874 -2.916 1.00 0.00 C ATOM 1822 OG SER A 113 12.350 10.792 -3.134 1.00 0.00 O ATOM 0 H SER A 113 8.512 10.323 -2.778 1.00 0.00 H new ATOM 0 HA SER A 113 10.052 10.898 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.653 11.920 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.701 10.404 -1.965 1.00 0.00 H new ATOM 0 HG SER A 113 12.822 11.235 -2.398 1.00 0.00 H new ATOM 1828 N GLY A 114 11.457 8.176 -3.631 1.00 0.00 N ATOM 1829 CA GLY A 114 12.215 6.998 -4.008 1.00 0.00 C ATOM 1830 C GLY A 114 13.679 7.105 -3.625 1.00 0.00 C ATOM 1831 O GLY A 114 14.156 8.155 -3.198 1.00 0.00 O ATOM 0 H GLY A 114 11.350 8.313 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.780 6.121 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.134 6.846 -5.084 1.00 0.00 H new ATOM 1835 N PRO A 115 14.416 5.994 -3.777 1.00 0.00 N ATOM 1836 CA PRO A 115 15.844 5.942 -3.449 1.00 0.00 C ATOM 1837 C PRO A 115 16.692 6.756 -4.420 1.00 0.00 C ATOM 1838 O PRO A 115 16.610 6.573 -5.635 1.00 0.00 O ATOM 1839 CB PRO A 115 16.180 4.452 -3.564 1.00 0.00 C ATOM 1840 CG PRO A 115 15.167 3.909 -4.512 1.00 0.00 C ATOM 1841 CD PRO A 115 13.914 4.705 -4.281 1.00 0.00 C ATOM 0 HA PRO A 115 16.052 6.366 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.193 4.302 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.121 3.957 -2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.506 4.006 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.994 2.848 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.341 4.829 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.257 4.220 -3.559 1.00 0.00 H new ATOM 1849 N SER A 116 17.506 7.656 -3.876 1.00 0.00 N ATOM 1850 CA SER A 116 18.367 8.500 -4.696 1.00 0.00 C ATOM 1851 C SER A 116 19.441 7.670 -5.392 1.00 0.00 C ATOM 1852 O SER A 116 19.858 6.627 -4.889 1.00 0.00 O ATOM 1853 CB SER A 116 19.022 9.583 -3.836 1.00 0.00 C ATOM 1854 OG SER A 116 19.638 10.573 -4.643 1.00 0.00 O ATOM 0 H SER A 116 17.587 7.819 -2.872 1.00 0.00 H new ATOM 0 HA SER A 116 17.749 8.974 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 116 18.271 10.047 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 116 19.765 9.130 -3.180 1.00 0.00 H new ATOM 0 HG SER A 116 20.048 11.254 -4.070 1.00 0.00 H new ATOM 1860 N SER A 117 19.883 8.140 -6.554 1.00 0.00 N ATOM 1861 CA SER A 117 20.905 7.439 -7.323 1.00 0.00 C ATOM 1862 C SER A 117 22.205 7.337 -6.532 1.00 0.00 C ATOM 1863 O SER A 117 23.039 8.241 -6.568 1.00 0.00 O ATOM 1864 CB SER A 117 21.157 8.157 -8.650 1.00 0.00 C ATOM 1865 OG SER A 117 20.014 8.098 -9.486 1.00 0.00 O ATOM 0 H SER A 117 19.550 9.003 -6.984 1.00 0.00 H new ATOM 0 HA SER A 117 20.544 6.431 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 117 21.419 9.198 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 117 22.007 7.702 -9.158 1.00 0.00 H new ATOM 0 HG SER A 117 20.199 8.565 -10.327 1.00 0.00 H new ATOM 1871 N GLY A 118 22.371 6.229 -5.817 1.00 0.00 N ATOM 1872 CA GLY A 118 23.571 6.028 -5.026 1.00 0.00 C ATOM 1873 C GLY A 118 23.265 5.601 -3.605 1.00 0.00 C ATOM 1874 O GLY A 118 22.107 5.379 -3.253 1.00 0.00 O ATOM 0 H GLY A 118 21.695 5.466 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 118 24.194 5.271 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 118 24.149 6.952 -5.008 1.00 0.00 H new TER 1878 GLY A 118