USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 81 ASN :FLIP amide:sc= -2.41! C(o=-5.1!,f=-2.4!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 71 THR OG1 : rot -50:sc= 0.0137 USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -15.2! C(o=-38!,f=-37!) USER MOD Set 2.3: A 75 HIS : no HD1:sc= -21.6! C(o=-37!,f=-38!) USER MOD Set 3.1: A 60 ASN : amide:sc= -6.93! C(o=-13!,f=-19!) USER MOD Set 3.2: A 65 ASN : amide:sc= -6.3! C(o=-13!,f=-15!) USER MOD Set 4.1: A 57 SER OG : rot -151:sc= -3.11! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -10.4! C(o=-13!,f=-21!) USER MOD Set 5.1: A 44 TYR OH : rot -37:sc= -1.95! USER MOD Set 5.2: A 48 MET CE :methyl -165:sc= -12! (180deg=-13.2!) USER MOD Set 5.3: A 119 SER OG : rot -129:sc= -0.029 USER MOD Set 6.1: A 36 THR OG1 : rot 100:sc= -1.21 USER MOD Set 6.2: A 91 SER OG : rot 175:sc= 0 USER MOD Set 7.1: A 34 TYR OH : rot -53:sc= -3.11! USER MOD Set 7.2: A 64 HIS : no HD1:sc= -10.9! C(o=-14!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 19 SER OG : rot -100:sc= 1.22 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.76 F(o=-3.6!,f=-1.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.58) USER MOD Single : A 27 THR OG1 : rot 35:sc= 0.0605 USER MOD Single : A 30 CYS SG : rot 73:sc= -4.23! USER MOD Single : A 35 THR OG1 : rot -140:sc= -3.01! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.729! (180deg=-1.64!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.421 (180deg=-1.1) USER MOD Single : A 51 TYR OH : rot 165:sc= 0 USER MOD Single : A 52 SER OG : rot -57:sc= 0.229 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -23:sc= -3.96! USER MOD Single : A 62 TYR OH : rot -15:sc= -0.385 USER MOD Single : A 63 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.89) USER MOD Single : A 78 SER OG : rot 180:sc= 0.101 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 15:sc= -2.27! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -48:sc= -1.54 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 95 CYS SG : rot -125:sc= -4.1 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.94 K(o=-0.94,f=-5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -143:sc= -0.787 (180deg=-2.45!) USER MOD Single : A 105 TYR OH : rot -58:sc= -0.354 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -49:sc= 0.858 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.739 -5.405 18.011 1.00 0.00 N ATOM 75 CA ASP A 6 108.042 -5.246 16.703 1.00 0.00 C ATOM 76 C ASP A 6 107.981 -3.758 16.333 1.00 0.00 C ATOM 77 O ASP A 6 107.559 -2.945 17.131 1.00 0.00 O ATOM 78 CB ASP A 6 106.620 -5.800 16.817 1.00 0.00 C ATOM 79 CG ASP A 6 106.565 -7.196 16.193 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.613 -7.703 15.828 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.475 -7.735 16.090 1.00 0.00 O ATOM 0 HA ASP A 6 108.586 -5.790 15.931 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.319 -5.846 17.864 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.918 -5.136 16.312 1.00 0.00 H new ATOM 86 N PRO A 7 108.404 -3.443 15.132 1.00 0.00 N ATOM 87 CA PRO A 7 108.408 -2.057 14.631 1.00 0.00 C ATOM 88 C PRO A 7 107.002 -1.644 14.190 1.00 0.00 C ATOM 89 O PRO A 7 106.459 -2.172 13.240 1.00 0.00 O ATOM 90 CB PRO A 7 109.363 -2.108 13.438 1.00 0.00 C ATOM 91 CG PRO A 7 109.406 -3.582 12.975 1.00 0.00 C ATOM 92 CD PRO A 7 108.919 -4.433 14.163 1.00 0.00 C ATOM 0 HA PRO A 7 108.715 -1.330 15.383 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.015 -1.459 12.634 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.357 -1.761 13.721 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.769 -3.733 12.104 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.417 -3.867 12.683 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.142 -5.134 13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.730 -5.023 14.589 1.00 0.00 H new ATOM 100 N LYS A 8 106.409 -0.702 14.872 1.00 0.00 N ATOM 101 CA LYS A 8 105.041 -0.255 14.487 1.00 0.00 C ATOM 102 C LYS A 8 105.137 0.703 13.299 1.00 0.00 C ATOM 103 O LYS A 8 104.144 1.208 12.814 1.00 0.00 O ATOM 104 CB LYS A 8 104.386 0.463 15.670 1.00 0.00 C ATOM 105 CG LYS A 8 105.043 1.830 15.868 1.00 0.00 C ATOM 106 CD LYS A 8 105.555 1.950 17.306 1.00 0.00 C ATOM 107 CE LYS A 8 107.074 2.136 17.293 1.00 0.00 C ATOM 108 NZ LYS A 8 107.457 3.169 18.295 1.00 0.00 N ATOM 0 H LYS A 8 106.812 -0.224 15.678 1.00 0.00 H new ATOM 0 HA LYS A 8 104.439 -1.121 14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.318 0.584 15.489 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.490 -0.136 16.575 1.00 0.00 H new ATOM 0 HG2 LYS A 8 105.868 1.953 15.166 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.325 2.623 15.659 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.079 2.795 17.804 1.00 0.00 H new ATOM 0 HD3 LYS A 8 105.292 1.057 17.873 1.00 0.00 H new ATOM 0 HE2 LYS A 8 107.569 1.192 17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 8 107.406 2.437 16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 108.489 3.295 18.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 106.996 4.070 18.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 107.154 2.864 19.242 1.00 0.00 H new ATOM 122 N ASP A 9 106.327 0.956 12.823 1.00 0.00 N ATOM 123 CA ASP A 9 106.484 1.878 11.666 1.00 0.00 C ATOM 124 C ASP A 9 107.945 1.878 11.208 1.00 0.00 C ATOM 125 O ASP A 9 108.819 1.383 11.892 1.00 0.00 O ATOM 126 CB ASP A 9 106.078 3.294 12.080 1.00 0.00 C ATOM 127 CG ASP A 9 106.651 3.606 13.464 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.576 2.921 13.868 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.154 4.524 14.095 1.00 0.00 O ATOM 0 H ASP A 9 107.195 0.563 13.187 1.00 0.00 H new ATOM 0 HA ASP A 9 105.847 1.544 10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.445 4.017 11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 9 104.992 3.382 12.096 1.00 0.00 H new ATOM 134 N PHE A 10 108.219 2.437 10.061 1.00 0.00 N ATOM 135 CA PHE A 10 109.623 2.476 9.566 1.00 0.00 C ATOM 136 C PHE A 10 110.541 2.896 10.718 1.00 0.00 C ATOM 137 O PHE A 10 110.077 3.406 11.718 1.00 0.00 O ATOM 138 CB PHE A 10 109.727 3.508 8.439 1.00 0.00 C ATOM 139 CG PHE A 10 108.603 3.310 7.451 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.712 2.330 6.462 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.461 4.118 7.513 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.681 2.153 5.531 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.427 3.940 6.586 1.00 0.00 C ATOM 144 CZ PHE A 10 106.538 2.956 5.594 1.00 0.00 C ATOM 0 H PHE A 10 107.530 2.869 9.445 1.00 0.00 H new ATOM 0 HA PHE A 10 109.917 1.494 9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.685 4.516 8.853 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.688 3.411 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.593 1.707 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.378 4.878 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.769 1.397 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.544 4.560 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.741 2.818 4.878 1.00 0.00 H new ATOM 154 N PRO A 11 111.821 2.680 10.544 1.00 0.00 N ATOM 155 CA PRO A 11 112.822 3.044 11.560 1.00 0.00 C ATOM 156 C PRO A 11 113.082 4.552 11.512 1.00 0.00 C ATOM 157 O PRO A 11 112.893 5.185 10.495 1.00 0.00 O ATOM 158 CB PRO A 11 114.062 2.247 11.148 1.00 0.00 C ATOM 159 CG PRO A 11 113.892 1.922 9.644 1.00 0.00 C ATOM 160 CD PRO A 11 112.390 2.059 9.328 1.00 0.00 C ATOM 0 HA PRO A 11 112.513 2.820 12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.970 2.825 11.320 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.149 1.333 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.480 2.605 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.243 0.914 9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.223 2.680 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.935 1.089 9.125 1.00 0.00 H new ATOM 168 N SER A 12 113.498 5.134 12.603 1.00 0.00 N ATOM 169 CA SER A 12 113.749 6.606 12.616 1.00 0.00 C ATOM 170 C SER A 12 114.879 6.958 11.643 1.00 0.00 C ATOM 171 O SER A 12 114.953 8.062 11.140 1.00 0.00 O ATOM 172 CB SER A 12 114.139 7.042 14.028 1.00 0.00 C ATOM 173 OG SER A 12 115.116 8.072 13.948 1.00 0.00 O ATOM 0 H SER A 12 113.675 4.656 13.486 1.00 0.00 H new ATOM 0 HA SER A 12 112.841 7.124 12.308 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.261 7.399 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.533 6.194 14.587 1.00 0.00 H new ATOM 0 HG SER A 12 115.367 8.355 14.852 1.00 0.00 H new ATOM 179 N GLU A 13 115.762 6.034 11.375 1.00 0.00 N ATOM 180 CA GLU A 13 116.890 6.324 10.440 1.00 0.00 C ATOM 181 C GLU A 13 116.373 6.418 8.999 1.00 0.00 C ATOM 182 O GLU A 13 117.133 6.625 8.074 1.00 0.00 O ATOM 183 CB GLU A 13 117.925 5.203 10.536 1.00 0.00 C ATOM 184 CG GLU A 13 119.327 5.784 10.343 1.00 0.00 C ATOM 185 CD GLU A 13 119.784 6.457 11.638 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.341 7.565 11.894 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.568 5.854 12.352 1.00 0.00 O ATOM 0 H GLU A 13 115.752 5.091 11.763 1.00 0.00 H new ATOM 0 HA GLU A 13 117.346 7.275 10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.854 4.711 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.727 4.445 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 13 120.025 4.994 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.323 6.507 9.527 1.00 0.00 H new ATOM 194 N LEU A 14 115.095 6.261 8.797 1.00 0.00 N ATOM 195 CA LEU A 14 114.544 6.336 7.416 1.00 0.00 C ATOM 196 C LEU A 14 113.289 7.215 7.405 1.00 0.00 C ATOM 197 O LEU A 14 112.605 7.320 6.408 1.00 0.00 O ATOM 198 CB LEU A 14 114.180 4.926 6.948 1.00 0.00 C ATOM 199 CG LEU A 14 114.569 4.750 5.480 1.00 0.00 C ATOM 200 CD1 LEU A 14 116.047 5.095 5.293 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.329 3.297 5.067 1.00 0.00 C ATOM 0 H LEU A 14 114.408 6.084 9.529 1.00 0.00 H new ATOM 0 HA LEU A 14 115.290 6.769 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.694 4.186 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.111 4.756 7.073 1.00 0.00 H new ATOM 0 HG LEU A 14 113.964 5.413 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.320 4.968 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.220 6.129 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.656 4.434 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.605 3.166 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.936 2.637 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.275 3.051 5.198 1.00 0.00 H new ATOM 213 N LEU A 15 112.979 7.846 8.505 1.00 0.00 N ATOM 214 CA LEU A 15 111.765 8.713 8.542 1.00 0.00 C ATOM 215 C LEU A 15 112.138 10.132 8.109 1.00 0.00 C ATOM 216 O LEU A 15 111.442 11.084 8.400 1.00 0.00 O ATOM 217 CB LEU A 15 111.198 8.744 9.964 1.00 0.00 C ATOM 218 CG LEU A 15 110.703 7.348 10.348 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.444 7.292 11.854 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.406 7.039 9.598 1.00 0.00 C ATOM 0 H LEU A 15 113.510 7.800 9.375 1.00 0.00 H new ATOM 0 HA LEU A 15 111.013 8.312 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.964 9.075 10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.379 9.461 10.025 1.00 0.00 H new ATOM 0 HG LEU A 15 111.461 6.612 10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.091 6.297 12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.368 7.509 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.688 8.030 12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.055 6.044 9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.648 7.777 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.589 7.075 8.524 1.00 0.00 H new ATOM 232 N SER A 16 113.230 10.281 7.410 1.00 0.00 N ATOM 233 CA SER A 16 113.644 11.638 6.955 1.00 0.00 C ATOM 234 C SER A 16 112.857 12.015 5.700 1.00 0.00 C ATOM 235 O SER A 16 112.883 13.145 5.254 1.00 0.00 O ATOM 236 CB SER A 16 115.140 11.635 6.635 1.00 0.00 C ATOM 237 OG SER A 16 115.735 10.468 7.187 1.00 0.00 O ATOM 0 H SER A 16 113.853 9.522 7.135 1.00 0.00 H new ATOM 0 HA SER A 16 113.443 12.363 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.293 11.660 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.613 12.527 7.045 1.00 0.00 H new ATOM 0 HG SER A 16 116.693 10.462 6.983 1.00 0.00 H new ATOM 243 N PHE A 17 112.154 11.077 5.125 1.00 0.00 N ATOM 244 CA PHE A 17 111.366 11.383 3.897 1.00 0.00 C ATOM 245 C PHE A 17 110.145 10.463 3.828 1.00 0.00 C ATOM 246 O PHE A 17 110.200 9.381 3.278 1.00 0.00 O ATOM 247 CB PHE A 17 112.230 11.172 2.648 1.00 0.00 C ATOM 248 CG PHE A 17 113.346 10.194 2.940 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.095 9.039 3.690 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.636 10.446 2.457 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.131 8.139 3.957 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.673 9.547 2.722 1.00 0.00 C ATOM 253 CZ PHE A 17 115.420 8.391 3.474 1.00 0.00 C ATOM 0 H PHE A 17 112.091 10.113 5.452 1.00 0.00 H new ATOM 0 HA PHE A 17 111.042 12.423 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.614 10.798 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.648 12.124 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.100 8.843 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.830 11.337 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.936 7.249 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.667 9.742 2.348 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.220 7.695 3.680 1.00 0.00 H new ATOM 263 N LEU A 18 109.043 10.886 4.382 1.00 0.00 N ATOM 264 CA LEU A 18 107.818 10.041 4.347 1.00 0.00 C ATOM 265 C LEU A 18 106.582 10.934 4.477 1.00 0.00 C ATOM 266 O LEU A 18 106.677 12.091 4.830 1.00 0.00 O ATOM 267 CB LEU A 18 107.852 9.047 5.509 1.00 0.00 C ATOM 268 CG LEU A 18 108.422 7.713 5.026 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.583 6.769 6.218 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.466 7.089 4.007 1.00 0.00 C ATOM 0 H LEU A 18 108.938 11.782 4.858 1.00 0.00 H new ATOM 0 HA LEU A 18 107.777 9.496 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.462 9.442 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.847 8.902 5.907 1.00 0.00 H new ATOM 0 HG LEU A 18 109.393 7.879 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.989 5.817 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.263 7.214 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.612 6.602 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.872 6.138 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.495 6.921 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.349 7.763 3.158 1.00 0.00 H new ATOM 282 N SER A 19 105.423 10.405 4.194 1.00 0.00 N ATOM 283 CA SER A 19 104.186 11.228 4.304 1.00 0.00 C ATOM 284 C SER A 19 103.568 11.042 5.693 1.00 0.00 C ATOM 285 O SER A 19 102.964 11.944 6.238 1.00 0.00 O ATOM 286 CB SER A 19 103.182 10.786 3.239 1.00 0.00 C ATOM 287 OG SER A 19 102.990 9.380 3.328 1.00 0.00 O ATOM 0 H SER A 19 105.280 9.441 3.892 1.00 0.00 H new ATOM 0 HA SER A 19 104.437 12.278 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.233 11.304 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.546 11.053 2.247 1.00 0.00 H new ATOM 0 HG SER A 19 103.520 8.933 2.636 1.00 0.00 H new ATOM 293 N HIS A 20 103.715 9.880 6.268 1.00 0.00 N ATOM 294 CA HIS A 20 103.135 9.642 7.621 1.00 0.00 C ATOM 295 C HIS A 20 101.619 9.833 7.565 1.00 0.00 C ATOM 296 O HIS A 20 101.006 10.292 8.509 1.00 0.00 O ATOM 297 CB HIS A 20 103.739 10.633 8.617 1.00 0.00 C ATOM 298 CG HIS A 20 105.224 10.719 8.402 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.040 11.764 8.048 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.057 9.621 8.552 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.360 11.326 7.978 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.314 10.028 8.290 1.00 0.00 N flip ATOM 0 H HIS A 20 104.210 9.087 5.861 1.00 0.00 H new ATOM 0 HA HIS A 20 103.361 8.625 7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.285 11.616 8.489 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.527 10.314 9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.754 8.622 8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.233 11.910 7.726 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.131 9.419 8.326 1.00 0.00 H new ATOM 310 N ALA A 21 101.008 9.485 6.467 1.00 0.00 N ATOM 311 CA ALA A 21 99.530 9.647 6.352 1.00 0.00 C ATOM 312 C ALA A 21 98.921 8.375 5.760 1.00 0.00 C ATOM 313 O ALA A 21 99.571 7.637 5.045 1.00 0.00 O ATOM 314 CB ALA A 21 99.219 10.835 5.440 1.00 0.00 C ATOM 0 H ALA A 21 101.467 9.095 5.644 1.00 0.00 H new ATOM 0 HA ALA A 21 99.105 9.825 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.139 10.955 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.653 11.741 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.643 10.656 4.452 1.00 0.00 H new ATOM 320 N VAL A 22 97.676 8.112 6.049 1.00 0.00 N ATOM 321 CA VAL A 22 97.027 6.888 5.502 1.00 0.00 C ATOM 322 C VAL A 22 95.926 7.291 4.521 1.00 0.00 C ATOM 323 O VAL A 22 95.783 6.716 3.460 1.00 0.00 O ATOM 324 CB VAL A 22 96.417 6.074 6.646 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.386 4.594 6.260 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.263 6.251 7.909 1.00 0.00 C ATOM 0 H VAL A 22 97.081 8.692 6.640 1.00 0.00 H new ATOM 0 HA VAL A 22 97.773 6.283 4.986 1.00 0.00 H new ATOM 0 HB VAL A 22 95.402 6.423 6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.952 4.015 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.783 4.465 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.401 4.247 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 22 96.828 5.671 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.278 5.903 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.286 7.305 8.187 1.00 0.00 H new ATOM 336 N PHE A 23 95.148 8.277 4.868 1.00 0.00 N ATOM 337 CA PHE A 23 94.055 8.722 3.958 1.00 0.00 C ATOM 338 C PHE A 23 94.337 10.148 3.482 1.00 0.00 C ATOM 339 O PHE A 23 93.588 11.063 3.760 1.00 0.00 O ATOM 340 CB PHE A 23 92.721 8.690 4.706 1.00 0.00 C ATOM 341 CG PHE A 23 92.626 7.419 5.516 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.133 7.382 6.821 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.029 6.280 4.964 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.043 6.205 7.572 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.938 5.103 5.716 1.00 0.00 C ATOM 346 CZ PHE A 23 92.445 5.065 7.020 1.00 0.00 C ATOM 0 H PHE A 23 95.221 8.795 5.744 1.00 0.00 H new ATOM 0 HA PHE A 23 94.005 8.054 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.638 9.558 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.894 8.745 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.593 8.261 7.247 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.638 6.309 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.435 6.175 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 23 91.477 4.224 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.375 4.157 7.600 1.00 0.00 H new ATOM 356 N SER A 24 95.411 10.345 2.769 1.00 0.00 N ATOM 357 CA SER A 24 95.736 11.714 2.277 1.00 0.00 C ATOM 358 C SER A 24 95.064 11.942 0.922 1.00 0.00 C ATOM 359 O SER A 24 94.863 11.022 0.156 1.00 0.00 O ATOM 360 CB SER A 24 97.251 11.856 2.127 1.00 0.00 C ATOM 361 OG SER A 24 97.627 11.501 0.802 1.00 0.00 O ATOM 0 H SER A 24 96.077 9.619 2.506 1.00 0.00 H new ATOM 0 HA SER A 24 95.372 12.453 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.555 12.881 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.761 11.215 2.846 1.00 0.00 H new ATOM 0 HG SER A 24 98.598 11.592 0.702 1.00 0.00 H new ATOM 367 N ASN A 25 94.713 13.163 0.622 1.00 0.00 N ATOM 368 CA ASN A 25 94.052 13.448 -0.683 1.00 0.00 C ATOM 369 C ASN A 25 95.110 13.522 -1.786 1.00 0.00 C ATOM 370 O ASN A 25 94.807 13.427 -2.958 1.00 0.00 O ATOM 371 CB ASN A 25 93.311 14.784 -0.599 1.00 0.00 C ATOM 372 CG ASN A 25 94.302 15.896 -0.248 1.00 0.00 C ATOM 373 OD1 ASN A 25 94.510 16.197 0.911 1.00 0.00 O ATOM 374 ND2 ASN A 25 94.925 16.525 -1.207 1.00 0.00 N ATOM 0 H ASN A 25 94.855 13.974 1.223 1.00 0.00 H new ATOM 0 HA ASN A 25 93.343 12.652 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.825 15.003 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.526 14.730 0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 95.586 17.269 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 94.751 16.273 -2.180 1.00 0.00 H new ATOM 381 N ARG A 26 96.352 13.691 -1.421 1.00 0.00 N ATOM 382 CA ARG A 26 97.427 13.771 -2.450 1.00 0.00 C ATOM 383 C ARG A 26 97.620 12.397 -3.094 1.00 0.00 C ATOM 384 O ARG A 26 97.666 11.387 -2.420 1.00 0.00 O ATOM 385 CB ARG A 26 98.734 14.213 -1.788 1.00 0.00 C ATOM 386 CG ARG A 26 98.604 15.663 -1.317 1.00 0.00 C ATOM 387 CD ARG A 26 98.504 15.697 0.210 1.00 0.00 C ATOM 388 NE ARG A 26 99.379 16.780 0.738 1.00 0.00 N ATOM 389 CZ ARG A 26 98.847 17.857 1.248 1.00 0.00 C ATOM 390 NH1 ARG A 26 97.834 18.428 0.657 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.330 18.364 2.350 1.00 0.00 N ATOM 0 H ARG A 26 96.668 13.777 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 26 97.145 14.494 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.963 13.564 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.560 14.121 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 26 99.465 16.243 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.721 16.123 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 26 97.471 15.868 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 26 98.804 14.736 0.627 1.00 0.00 H new ATOM 0 HE ARG A 26 100.393 16.680 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 26 97.457 18.033 -0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 26 97.419 19.270 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 26 100.123 17.918 2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 26 98.915 19.206 2.749 1.00 0.00 H new ATOM 405 N THR A 27 97.734 12.350 -4.392 1.00 0.00 N ATOM 406 CA THR A 27 97.925 11.041 -5.076 1.00 0.00 C ATOM 407 C THR A 27 99.415 10.815 -5.338 1.00 0.00 C ATOM 408 O THR A 27 100.113 11.694 -5.800 1.00 0.00 O ATOM 409 CB THR A 27 97.168 11.042 -6.407 1.00 0.00 C ATOM 410 OG1 THR A 27 97.591 12.152 -7.187 1.00 0.00 O ATOM 411 CG2 THR A 27 95.666 11.144 -6.142 1.00 0.00 C ATOM 0 H THR A 27 97.703 13.162 -5.009 1.00 0.00 H new ATOM 0 HA THR A 27 97.541 10.242 -4.442 1.00 0.00 H new ATOM 0 HB THR A 27 97.376 10.118 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.545 12.314 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.128 11.145 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.344 10.293 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.453 12.068 -5.604 1.00 0.00 H new ATOM 419 N LEU A 28 99.908 9.643 -5.045 1.00 0.00 N ATOM 420 CA LEU A 28 101.353 9.365 -5.278 1.00 0.00 C ATOM 421 C LEU A 28 101.501 8.057 -6.056 1.00 0.00 C ATOM 422 O LEU A 28 100.600 7.246 -6.104 1.00 0.00 O ATOM 423 CB LEU A 28 102.072 9.236 -3.933 1.00 0.00 C ATOM 424 CG LEU A 28 101.730 10.435 -3.050 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.147 10.142 -1.608 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.483 11.669 -3.555 1.00 0.00 C ATOM 0 H LEU A 28 99.373 8.867 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 28 101.791 10.183 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.775 8.311 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.149 9.183 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 28 100.657 10.620 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.903 10.997 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.615 9.262 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.221 9.958 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.240 12.526 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.556 11.482 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.189 11.879 -4.583 1.00 0.00 H new ATOM 438 N ALA A 29 102.637 7.843 -6.660 1.00 0.00 N ATOM 439 CA ALA A 29 102.848 6.583 -7.426 1.00 0.00 C ATOM 440 C ALA A 29 104.032 5.821 -6.825 1.00 0.00 C ATOM 441 O ALA A 29 104.475 4.822 -7.354 1.00 0.00 O ATOM 442 CB ALA A 29 103.146 6.919 -8.890 1.00 0.00 C ATOM 0 H ALA A 29 103.428 8.486 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 29 101.951 5.967 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.300 5.997 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.305 7.466 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.045 7.533 -8.947 1.00 0.00 H new ATOM 448 N CYS A 30 104.547 6.290 -5.719 1.00 0.00 N ATOM 449 CA CYS A 30 105.700 5.603 -5.074 1.00 0.00 C ATOM 450 C CYS A 30 105.347 5.305 -3.611 1.00 0.00 C ATOM 451 O CYS A 30 104.849 6.156 -2.899 1.00 0.00 O ATOM 452 CB CYS A 30 106.949 6.511 -5.198 1.00 0.00 C ATOM 453 SG CYS A 30 107.613 6.996 -3.575 1.00 0.00 S ATOM 0 H CYS A 30 104.215 7.124 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 30 105.920 4.654 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.721 5.988 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.690 7.406 -5.765 1.00 0.00 H new ATOM 0 HG CYS A 30 108.209 5.978 -3.028 1.00 0.00 H new ATOM 459 N PHE A 31 105.599 4.108 -3.156 1.00 0.00 N ATOM 460 CA PHE A 31 105.268 3.779 -1.740 1.00 0.00 C ATOM 461 C PHE A 31 106.333 2.847 -1.154 1.00 0.00 C ATOM 462 O PHE A 31 106.957 2.071 -1.856 1.00 0.00 O ATOM 463 CB PHE A 31 103.902 3.093 -1.683 1.00 0.00 C ATOM 464 CG PHE A 31 102.896 3.896 -2.473 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.939 3.890 -3.871 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.917 4.642 -1.806 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.006 4.630 -4.603 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.984 5.382 -2.537 1.00 0.00 C ATOM 469 CZ PHE A 31 101.027 5.376 -3.936 1.00 0.00 C ATOM 0 H PHE A 31 106.016 3.350 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 31 105.241 4.699 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.974 2.083 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.574 2.999 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.694 3.313 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.883 4.646 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.040 4.626 -5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.230 5.959 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.305 5.947 -4.501 1.00 0.00 H new ATOM 479 N ALA A 32 106.541 2.922 0.133 1.00 0.00 N ATOM 480 CA ALA A 32 107.560 2.050 0.783 1.00 0.00 C ATOM 481 C ALA A 32 106.858 0.982 1.623 1.00 0.00 C ATOM 482 O ALA A 32 106.355 1.255 2.696 1.00 0.00 O ATOM 483 CB ALA A 32 108.449 2.897 1.695 1.00 0.00 C ATOM 0 H ALA A 32 106.047 3.553 0.764 1.00 0.00 H new ATOM 0 HA ALA A 32 108.168 1.573 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.194 2.260 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.951 3.663 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.836 3.372 2.461 1.00 0.00 H new ATOM 489 N ILE A 33 106.822 -0.233 1.151 1.00 0.00 N ATOM 490 CA ILE A 33 106.158 -1.313 1.930 1.00 0.00 C ATOM 491 C ILE A 33 107.143 -1.859 2.968 1.00 0.00 C ATOM 492 O ILE A 33 107.824 -2.836 2.735 1.00 0.00 O ATOM 493 CB ILE A 33 105.717 -2.436 0.980 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.389 -2.049 0.324 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.526 -3.743 1.757 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.242 -2.786 -1.008 1.00 0.00 C ATOM 0 H ILE A 33 107.224 -0.524 0.260 1.00 0.00 H new ATOM 0 HA ILE A 33 105.279 -0.916 2.439 1.00 0.00 H new ATOM 0 HB ILE A 33 106.485 -2.579 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.559 -2.300 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.352 -0.972 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.213 -4.531 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.466 -4.026 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.762 -3.603 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.296 -2.510 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.065 -2.513 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.260 -3.862 -0.833 1.00 0.00 H new ATOM 508 N TYR A 34 107.212 -1.245 4.118 1.00 0.00 N ATOM 509 CA TYR A 34 108.144 -1.744 5.168 1.00 0.00 C ATOM 510 C TYR A 34 107.495 -2.939 5.847 1.00 0.00 C ATOM 511 O TYR A 34 106.550 -2.799 6.595 1.00 0.00 O ATOM 512 CB TYR A 34 108.400 -0.645 6.203 1.00 0.00 C ATOM 513 CG TYR A 34 109.019 -1.241 7.450 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.147 -2.065 7.347 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.469 -0.969 8.711 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.723 -2.612 8.497 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.046 -1.518 9.862 1.00 0.00 C ATOM 518 CZ TYR A 34 110.174 -2.340 9.755 1.00 0.00 C ATOM 519 OH TYR A 34 110.744 -2.881 10.888 1.00 0.00 O ATOM 0 H TYR A 34 106.666 -0.423 4.375 1.00 0.00 H new ATOM 0 HA TYR A 34 109.095 -2.030 4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.063 0.113 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.464 -0.146 6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.572 -2.278 6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.599 -0.335 8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.594 -3.246 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.621 -1.307 10.832 1.00 0.00 H new ATOM 0 HH TYR A 34 110.827 -3.852 10.781 1.00 0.00 H new ATOM 529 N THR A 35 107.976 -4.114 5.586 1.00 0.00 N ATOM 530 CA THR A 35 107.353 -5.303 6.216 1.00 0.00 C ATOM 531 C THR A 35 108.432 -6.319 6.569 1.00 0.00 C ATOM 532 O THR A 35 109.539 -6.267 6.070 1.00 0.00 O ATOM 533 CB THR A 35 106.351 -5.916 5.238 1.00 0.00 C ATOM 534 OG1 THR A 35 107.054 -6.564 4.187 1.00 0.00 O ATOM 535 CG2 THR A 35 105.470 -4.811 4.655 1.00 0.00 C ATOM 0 H THR A 35 108.766 -4.304 4.970 1.00 0.00 H new ATOM 0 HA THR A 35 106.835 -5.011 7.129 1.00 0.00 H new ATOM 0 HB THR A 35 105.727 -6.641 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.597 -6.397 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.755 -5.246 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.933 -4.311 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.094 -4.087 4.131 1.00 0.00 H new ATOM 543 N THR A 36 108.118 -7.240 7.429 1.00 0.00 N ATOM 544 CA THR A 36 109.122 -8.259 7.820 1.00 0.00 C ATOM 545 C THR A 36 109.587 -9.006 6.567 1.00 0.00 C ATOM 546 O THR A 36 108.897 -9.053 5.569 1.00 0.00 O ATOM 547 CB THR A 36 108.488 -9.226 8.823 1.00 0.00 C ATOM 548 OG1 THR A 36 107.551 -10.054 8.151 1.00 0.00 O ATOM 549 CG2 THR A 36 107.774 -8.420 9.917 1.00 0.00 C ATOM 0 H THR A 36 107.207 -7.331 7.879 1.00 0.00 H new ATOM 0 HA THR A 36 109.985 -7.785 8.288 1.00 0.00 H new ATOM 0 HB THR A 36 109.260 -9.849 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.959 -10.925 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.320 -9.103 10.635 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.495 -7.783 10.429 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.999 -7.801 9.465 1.00 0.00 H new ATOM 557 N LYS A 37 110.762 -9.569 6.603 1.00 0.00 N ATOM 558 CA LYS A 37 111.289 -10.292 5.415 1.00 0.00 C ATOM 559 C LYS A 37 110.191 -11.150 4.774 1.00 0.00 C ATOM 560 O LYS A 37 109.929 -11.056 3.594 1.00 0.00 O ATOM 561 CB LYS A 37 112.444 -11.190 5.858 1.00 0.00 C ATOM 562 CG LYS A 37 112.041 -11.960 7.117 1.00 0.00 C ATOM 563 CD LYS A 37 113.295 -12.353 7.902 1.00 0.00 C ATOM 564 CE LYS A 37 112.912 -12.674 9.348 1.00 0.00 C ATOM 565 NZ LYS A 37 113.029 -14.142 9.579 1.00 0.00 N ATOM 0 H LYS A 37 111.384 -9.559 7.411 1.00 0.00 H new ATOM 0 HA LYS A 37 111.634 -9.567 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.703 -11.887 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.331 -10.588 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.389 -11.346 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.476 -12.851 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.770 -13.218 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.021 -11.540 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.562 -12.134 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 37 111.893 -12.344 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 112.769 -14.361 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.391 -14.647 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.009 -14.444 9.405 1.00 0.00 H new ATOM 579 N GLU A 38 109.562 -11.998 5.539 1.00 0.00 N ATOM 580 CA GLU A 38 108.498 -12.876 4.976 1.00 0.00 C ATOM 581 C GLU A 38 107.441 -12.036 4.253 1.00 0.00 C ATOM 582 O GLU A 38 106.933 -12.418 3.218 1.00 0.00 O ATOM 583 CB GLU A 38 107.833 -13.655 6.111 1.00 0.00 C ATOM 584 CG GLU A 38 108.837 -14.640 6.712 1.00 0.00 C ATOM 585 CD GLU A 38 108.415 -16.071 6.375 1.00 0.00 C ATOM 586 OE1 GLU A 38 108.109 -16.321 5.221 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.403 -16.893 7.277 1.00 0.00 O ATOM 0 H GLU A 38 109.740 -12.121 6.536 1.00 0.00 H new ATOM 0 HA GLU A 38 108.950 -13.566 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.478 -12.967 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.961 -14.191 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 38 109.835 -14.442 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.887 -14.510 7.793 1.00 0.00 H new ATOM 594 N LYS A 39 107.096 -10.901 4.795 1.00 0.00 N ATOM 595 CA LYS A 39 106.061 -10.045 4.150 1.00 0.00 C ATOM 596 C LYS A 39 106.563 -9.530 2.799 1.00 0.00 C ATOM 597 O LYS A 39 106.049 -9.896 1.763 1.00 0.00 O ATOM 598 CB LYS A 39 105.759 -8.860 5.066 1.00 0.00 C ATOM 599 CG LYS A 39 105.187 -9.375 6.387 1.00 0.00 C ATOM 600 CD LYS A 39 103.711 -9.723 6.202 1.00 0.00 C ATOM 601 CE LYS A 39 102.943 -8.467 5.795 1.00 0.00 C ATOM 602 NZ LYS A 39 102.733 -8.471 4.320 1.00 0.00 N ATOM 0 H LYS A 39 107.488 -10.528 5.660 1.00 0.00 H new ATOM 0 HA LYS A 39 105.158 -10.633 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.668 -8.286 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.048 -8.187 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.740 -10.254 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.299 -8.618 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.600 -10.494 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.303 -10.129 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.983 -8.432 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.497 -7.577 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.927 -7.858 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 103.589 -8.117 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.536 -9.441 4.000 1.00 0.00 H new ATOM 616 N ALA A 40 107.550 -8.676 2.797 1.00 0.00 N ATOM 617 CA ALA A 40 108.059 -8.135 1.503 1.00 0.00 C ATOM 618 C ALA A 40 108.190 -9.261 0.480 1.00 0.00 C ATOM 619 O ALA A 40 107.759 -9.137 -0.645 1.00 0.00 O ATOM 620 CB ALA A 40 109.428 -7.488 1.710 1.00 0.00 C ATOM 0 H ALA A 40 108.025 -8.330 3.631 1.00 0.00 H new ATOM 0 HA ALA A 40 107.353 -7.389 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.792 -7.096 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.341 -6.674 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.129 -8.232 2.088 1.00 0.00 H new ATOM 626 N ALA A 41 108.792 -10.355 0.853 1.00 0.00 N ATOM 627 CA ALA A 41 108.955 -11.476 -0.115 1.00 0.00 C ATOM 628 C ALA A 41 107.642 -11.706 -0.862 1.00 0.00 C ATOM 629 O ALA A 41 107.609 -11.775 -2.075 1.00 0.00 O ATOM 630 CB ALA A 41 109.344 -12.749 0.640 1.00 0.00 C ATOM 0 H ALA A 41 109.177 -10.522 1.783 1.00 0.00 H new ATOM 0 HA ALA A 41 109.737 -11.224 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.463 -13.570 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.283 -12.586 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.563 -13.000 1.358 1.00 0.00 H new ATOM 636 N LEU A 42 106.561 -11.825 -0.149 1.00 0.00 N ATOM 637 CA LEU A 42 105.247 -12.052 -0.816 1.00 0.00 C ATOM 638 C LEU A 42 104.875 -10.817 -1.638 1.00 0.00 C ATOM 639 O LEU A 42 104.452 -10.919 -2.772 1.00 0.00 O ATOM 640 CB LEU A 42 104.173 -12.301 0.245 1.00 0.00 C ATOM 641 CG LEU A 42 104.264 -13.748 0.732 1.00 0.00 C ATOM 642 CD1 LEU A 42 105.089 -13.803 2.018 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.856 -14.280 1.006 1.00 0.00 C ATOM 0 H LEU A 42 106.528 -11.775 0.869 1.00 0.00 H new ATOM 0 HA LEU A 42 105.316 -12.919 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.307 -11.615 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.184 -12.107 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 42 104.743 -14.360 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 42 105.154 -14.834 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 106.092 -13.422 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 42 104.611 -13.192 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.918 -15.311 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.378 -13.668 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.267 -14.241 0.089 1.00 0.00 H new ATOM 655 N LEU A 43 105.032 -9.651 -1.076 1.00 0.00 N ATOM 656 CA LEU A 43 104.691 -8.408 -1.822 1.00 0.00 C ATOM 657 C LEU A 43 105.530 -8.333 -3.097 1.00 0.00 C ATOM 658 O LEU A 43 105.213 -7.614 -4.018 1.00 0.00 O ATOM 659 CB LEU A 43 104.999 -7.192 -0.947 1.00 0.00 C ATOM 660 CG LEU A 43 103.877 -6.981 0.073 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.672 -6.349 -0.623 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.464 -8.326 0.680 1.00 0.00 C ATOM 0 H LEU A 43 105.383 -9.505 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 43 103.632 -8.418 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.948 -7.337 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.107 -6.304 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 43 104.232 -6.323 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.872 -6.198 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.961 -5.389 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.323 -7.009 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.665 -8.168 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.111 -8.989 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.321 -8.779 1.178 1.00 0.00 H new ATOM 674 N TYR A 44 106.603 -9.069 -3.154 1.00 0.00 N ATOM 675 CA TYR A 44 107.463 -9.035 -4.367 1.00 0.00 C ATOM 676 C TYR A 44 106.735 -9.732 -5.520 1.00 0.00 C ATOM 677 O TYR A 44 106.337 -9.106 -6.482 1.00 0.00 O ATOM 678 CB TYR A 44 108.784 -9.750 -4.072 1.00 0.00 C ATOM 679 CG TYR A 44 109.892 -9.110 -4.874 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.403 -7.859 -4.498 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.402 -9.763 -6.001 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.422 -7.266 -5.255 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.419 -9.170 -6.755 1.00 0.00 C ATOM 684 CZ TYR A 44 111.928 -7.921 -6.384 1.00 0.00 C ATOM 685 OH TYR A 44 112.932 -7.337 -7.129 1.00 0.00 O ATOM 0 H TYR A 44 106.922 -9.693 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 44 107.671 -8.002 -4.646 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.011 -9.693 -3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.702 -10.807 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.012 -7.354 -3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.009 -10.727 -6.289 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.817 -6.303 -4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.812 -9.676 -7.624 1.00 0.00 H new ATOM 0 HH TYR A 44 112.790 -6.368 -7.166 1.00 0.00 H new ATOM 695 N LYS A 45 106.551 -11.019 -5.431 1.00 0.00 N ATOM 696 CA LYS A 45 105.844 -11.747 -6.523 1.00 0.00 C ATOM 697 C LYS A 45 104.388 -11.275 -6.596 1.00 0.00 C ATOM 698 O LYS A 45 103.697 -11.514 -7.565 1.00 0.00 O ATOM 699 CB LYS A 45 105.877 -13.250 -6.238 1.00 0.00 C ATOM 700 CG LYS A 45 106.997 -13.899 -7.054 1.00 0.00 C ATOM 701 CD LYS A 45 106.609 -15.337 -7.400 1.00 0.00 C ATOM 702 CE LYS A 45 106.310 -16.109 -6.115 1.00 0.00 C ATOM 703 NZ LYS A 45 107.575 -16.682 -5.573 1.00 0.00 N ATOM 0 H LYS A 45 106.859 -11.599 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 45 106.339 -11.544 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.038 -13.426 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 45 104.918 -13.701 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.174 -13.329 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.928 -13.889 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 45 105.735 -15.342 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.418 -15.821 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 45 105.853 -15.448 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 45 105.594 -16.906 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.372 -17.207 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.993 -17.326 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.244 -15.913 -5.367 1.00 0.00 H new ATOM 717 N LYS A 46 103.918 -10.607 -5.576 1.00 0.00 N ATOM 718 CA LYS A 46 102.506 -10.124 -5.587 1.00 0.00 C ATOM 719 C LYS A 46 102.443 -8.717 -6.189 1.00 0.00 C ATOM 720 O LYS A 46 102.015 -8.531 -7.311 1.00 0.00 O ATOM 721 CB LYS A 46 101.968 -10.091 -4.157 1.00 0.00 C ATOM 722 CG LYS A 46 102.068 -11.488 -3.543 1.00 0.00 C ATOM 723 CD LYS A 46 100.754 -12.238 -3.765 1.00 0.00 C ATOM 724 CE LYS A 46 100.257 -12.803 -2.433 1.00 0.00 C ATOM 725 NZ LYS A 46 98.767 -12.828 -2.430 1.00 0.00 N ATOM 0 H LYS A 46 104.450 -10.375 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 46 101.900 -10.800 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.536 -9.378 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.931 -9.754 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.894 -12.037 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.281 -11.414 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.007 -11.567 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.901 -13.045 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.649 -13.809 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.623 -12.193 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.428 -13.212 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.403 -11.862 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.428 -13.428 -3.209 1.00 0.00 H new ATOM 739 N ILE A 47 102.865 -7.721 -5.453 1.00 0.00 N ATOM 740 CA ILE A 47 102.826 -6.328 -5.987 1.00 0.00 C ATOM 741 C ILE A 47 103.387 -6.313 -7.416 1.00 0.00 C ATOM 742 O ILE A 47 103.101 -5.425 -8.193 1.00 0.00 O ATOM 743 CB ILE A 47 103.674 -5.410 -5.098 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.976 -5.215 -3.743 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.869 -4.056 -5.790 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.900 -4.129 -3.852 1.00 0.00 C ATOM 0 H ILE A 47 103.234 -7.813 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 47 101.795 -5.973 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 47 104.650 -5.866 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.524 -6.153 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.708 -4.936 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.472 -3.407 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.376 -4.204 -6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.898 -3.593 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.413 -4.001 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.361 -3.189 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.159 -4.424 -4.595 1.00 0.00 H new ATOM 758 N MET A 48 104.192 -7.283 -7.764 1.00 0.00 N ATOM 759 CA MET A 48 104.778 -7.320 -9.137 1.00 0.00 C ATOM 760 C MET A 48 103.676 -7.181 -10.192 1.00 0.00 C ATOM 761 O MET A 48 103.412 -6.104 -10.688 1.00 0.00 O ATOM 762 CB MET A 48 105.507 -8.651 -9.345 1.00 0.00 C ATOM 763 CG MET A 48 107.003 -8.390 -9.520 1.00 0.00 C ATOM 764 SD MET A 48 107.591 -7.350 -8.164 1.00 0.00 S ATOM 765 CE MET A 48 109.292 -7.962 -8.128 1.00 0.00 C ATOM 0 H MET A 48 104.469 -8.053 -7.155 1.00 0.00 H new ATOM 0 HA MET A 48 105.478 -6.491 -9.242 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.339 -9.307 -8.491 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.111 -9.162 -10.223 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.549 -9.333 -9.533 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.189 -7.900 -10.476 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.770 -7.654 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.289 -9.050 -8.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.844 -7.551 -8.973 1.00 0.00 H new ATOM 775 N GLU A 49 103.043 -8.265 -10.553 1.00 0.00 N ATOM 776 CA GLU A 49 101.975 -8.197 -11.590 1.00 0.00 C ATOM 777 C GLU A 49 100.735 -7.510 -11.019 1.00 0.00 C ATOM 778 O GLU A 49 99.763 -7.288 -11.713 1.00 0.00 O ATOM 779 CB GLU A 49 101.609 -9.614 -12.036 1.00 0.00 C ATOM 780 CG GLU A 49 102.278 -9.914 -13.379 1.00 0.00 C ATOM 781 CD GLU A 49 103.681 -10.475 -13.136 1.00 0.00 C ATOM 782 OE1 GLU A 49 104.420 -9.863 -12.383 1.00 0.00 O ATOM 783 OE2 GLU A 49 103.992 -11.506 -13.709 1.00 0.00 O ATOM 0 H GLU A 49 103.220 -9.195 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 49 102.341 -7.625 -12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.932 -10.337 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.527 -9.710 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.681 -10.631 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.337 -9.006 -13.979 1.00 0.00 H new ATOM 790 N LYS A 50 100.757 -7.170 -9.762 1.00 0.00 N ATOM 791 CA LYS A 50 99.574 -6.499 -9.156 1.00 0.00 C ATOM 792 C LYS A 50 99.652 -4.992 -9.414 1.00 0.00 C ATOM 793 O LYS A 50 98.652 -4.303 -9.420 1.00 0.00 O ATOM 794 CB LYS A 50 99.559 -6.762 -7.650 1.00 0.00 C ATOM 795 CG LYS A 50 98.303 -6.142 -7.036 1.00 0.00 C ATOM 796 CD LYS A 50 97.347 -7.250 -6.586 1.00 0.00 C ATOM 797 CE LYS A 50 98.097 -8.247 -5.702 1.00 0.00 C ATOM 798 NZ LYS A 50 98.227 -9.546 -6.420 1.00 0.00 N ATOM 0 H LYS A 50 101.541 -7.327 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 50 98.662 -6.894 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.579 -7.835 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.450 -6.338 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.573 -5.515 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.811 -5.497 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.509 -6.820 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.931 -7.760 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.084 -7.857 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.563 -8.390 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.071 -10.049 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.383 -10.127 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.318 -9.371 -7.441 1.00 0.00 H new ATOM 812 N TYR A 51 100.832 -4.473 -9.623 1.00 0.00 N ATOM 813 CA TYR A 51 100.966 -3.010 -9.873 1.00 0.00 C ATOM 814 C TYR A 51 101.998 -2.752 -10.969 1.00 0.00 C ATOM 815 O TYR A 51 102.411 -1.630 -11.179 1.00 0.00 O ATOM 816 CB TYR A 51 101.418 -2.317 -8.586 1.00 0.00 C ATOM 817 CG TYR A 51 100.260 -2.265 -7.630 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.365 -1.195 -7.680 1.00 0.00 C ATOM 819 CD2 TYR A 51 100.065 -3.299 -6.710 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.278 -1.152 -6.816 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.976 -3.256 -5.834 1.00 0.00 C ATOM 822 CZ TYR A 51 98.078 -2.182 -5.887 1.00 0.00 C ATOM 823 OH TYR A 51 96.997 -2.139 -5.030 1.00 0.00 O ATOM 0 H TYR A 51 101.707 -4.998 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 51 100.001 -2.616 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.252 -2.858 -8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.772 -1.310 -8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.518 -0.398 -8.393 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.754 -4.130 -6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.586 -0.324 -6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.827 -4.050 -5.117 1.00 0.00 H new ATOM 0 HH TYR A 51 96.865 -3.022 -4.625 1.00 0.00 H new ATOM 833 N SER A 52 102.431 -3.771 -11.666 1.00 0.00 N ATOM 834 CA SER A 52 103.449 -3.554 -12.736 1.00 0.00 C ATOM 835 C SER A 52 104.519 -2.604 -12.196 1.00 0.00 C ATOM 836 O SER A 52 105.041 -1.766 -12.904 1.00 0.00 O ATOM 837 CB SER A 52 102.781 -2.931 -13.963 1.00 0.00 C ATOM 838 OG SER A 52 103.681 -2.981 -15.063 1.00 0.00 O ATOM 0 H SER A 52 102.126 -4.736 -11.542 1.00 0.00 H new ATOM 0 HA SER A 52 103.900 -4.504 -13.024 1.00 0.00 H new ATOM 0 HB2 SER A 52 101.864 -3.468 -14.204 1.00 0.00 H new ATOM 0 HB3 SER A 52 102.501 -1.899 -13.754 1.00 0.00 H new ATOM 0 HG SER A 52 104.510 -2.514 -14.829 1.00 0.00 H new ATOM 844 N VAL A 53 104.818 -2.728 -10.931 1.00 0.00 N ATOM 845 CA VAL A 53 105.826 -1.844 -10.278 1.00 0.00 C ATOM 846 C VAL A 53 106.939 -1.458 -11.249 1.00 0.00 C ATOM 847 O VAL A 53 107.548 -2.295 -11.885 1.00 0.00 O ATOM 848 CB VAL A 53 106.438 -2.578 -9.089 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.321 -3.039 -8.156 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.220 -3.796 -9.588 1.00 0.00 C ATOM 0 H VAL A 53 104.397 -3.419 -10.310 1.00 0.00 H new ATOM 0 HA VAL A 53 105.322 -0.934 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 53 107.112 -1.910 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.752 -3.564 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 53 104.761 -2.173 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.651 -3.709 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.657 -4.321 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.547 -4.467 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.013 -3.469 -10.260 1.00 0.00 H new ATOM 860 N THR A 54 107.230 -0.188 -11.339 1.00 0.00 N ATOM 861 CA THR A 54 108.326 0.263 -12.236 1.00 0.00 C ATOM 862 C THR A 54 109.651 -0.260 -11.676 1.00 0.00 C ATOM 863 O THR A 54 110.682 -0.194 -12.316 1.00 0.00 O ATOM 864 CB THR A 54 108.348 1.795 -12.281 1.00 0.00 C ATOM 865 OG1 THR A 54 107.285 2.256 -13.105 1.00 0.00 O ATOM 866 CG2 THR A 54 109.683 2.277 -12.852 1.00 0.00 C ATOM 0 H THR A 54 106.754 0.555 -10.828 1.00 0.00 H new ATOM 0 HA THR A 54 108.173 -0.118 -13.246 1.00 0.00 H new ATOM 0 HB THR A 54 108.227 2.189 -11.272 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.295 3.236 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.694 3.367 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.498 1.923 -12.220 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.810 1.885 -13.861 1.00 0.00 H new ATOM 874 N PHE A 55 109.624 -0.779 -10.475 1.00 0.00 N ATOM 875 CA PHE A 55 110.865 -1.309 -9.851 1.00 0.00 C ATOM 876 C PHE A 55 110.595 -1.565 -8.368 1.00 0.00 C ATOM 877 O PHE A 55 109.919 -0.797 -7.712 1.00 0.00 O ATOM 878 CB PHE A 55 111.990 -0.278 -10.017 1.00 0.00 C ATOM 879 CG PHE A 55 113.012 -0.413 -8.906 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.040 -1.354 -9.009 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.932 0.412 -7.775 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.988 -1.470 -7.989 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.881 0.297 -6.754 1.00 0.00 C ATOM 884 CZ PHE A 55 114.911 -0.645 -6.862 1.00 0.00 C ATOM 0 H PHE A 55 108.786 -0.857 -9.898 1.00 0.00 H new ATOM 0 HA PHE A 55 111.166 -2.241 -10.330 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.476 -0.416 -10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.571 0.728 -10.012 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.102 -1.992 -9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.136 1.137 -7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.782 -2.198 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.819 0.934 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.646 -0.735 -6.076 1.00 0.00 H new ATOM 894 N ILE A 56 111.118 -2.630 -7.832 1.00 0.00 N ATOM 895 CA ILE A 56 110.885 -2.913 -6.392 1.00 0.00 C ATOM 896 C ILE A 56 112.112 -3.611 -5.806 1.00 0.00 C ATOM 897 O ILE A 56 112.560 -4.624 -6.304 1.00 0.00 O ATOM 898 CB ILE A 56 109.650 -3.803 -6.229 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.617 -4.395 -4.815 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.705 -4.938 -7.247 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.440 -5.365 -4.694 1.00 0.00 C ATOM 0 H ILE A 56 111.693 -3.313 -8.326 1.00 0.00 H new ATOM 0 HA ILE A 56 110.716 -1.976 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 56 108.754 -3.204 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.552 -4.914 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.522 -3.598 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.826 -5.573 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.723 -4.523 -8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.605 -5.531 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.417 -5.786 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.508 -4.833 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.555 -6.169 -5.421 1.00 0.00 H new ATOM 913 N SER A 57 112.669 -3.063 -4.762 1.00 0.00 N ATOM 914 CA SER A 57 113.881 -3.687 -4.159 1.00 0.00 C ATOM 915 C SER A 57 113.629 -4.105 -2.714 1.00 0.00 C ATOM 916 O SER A 57 113.210 -3.317 -1.889 1.00 0.00 O ATOM 917 CB SER A 57 115.016 -2.674 -4.168 1.00 0.00 C ATOM 918 OG SER A 57 116.246 -3.341 -3.914 1.00 0.00 O ATOM 0 H SER A 57 112.340 -2.214 -4.302 1.00 0.00 H new ATOM 0 HA SER A 57 114.134 -4.571 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.057 -2.166 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.841 -1.909 -3.412 1.00 0.00 H new ATOM 0 HG SER A 57 116.865 -2.727 -3.467 1.00 0.00 H new ATOM 924 N ARG A 58 113.926 -5.331 -2.393 1.00 0.00 N ATOM 925 CA ARG A 58 113.756 -5.797 -0.991 1.00 0.00 C ATOM 926 C ARG A 58 115.057 -5.491 -0.239 1.00 0.00 C ATOM 927 O ARG A 58 116.058 -6.154 -0.428 1.00 0.00 O ATOM 928 CB ARG A 58 113.496 -7.305 -0.978 1.00 0.00 C ATOM 929 CG ARG A 58 112.452 -7.634 0.090 1.00 0.00 C ATOM 930 CD ARG A 58 112.234 -9.148 0.139 1.00 0.00 C ATOM 931 NE ARG A 58 113.537 -9.829 0.376 1.00 0.00 N ATOM 932 CZ ARG A 58 113.576 -11.123 0.542 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.062 -11.912 -0.362 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.129 -11.629 1.611 1.00 0.00 N ATOM 0 H ARG A 58 114.280 -6.033 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 58 112.912 -5.294 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.146 -7.633 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.422 -7.843 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 58 112.784 -7.272 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.513 -7.128 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.530 -9.399 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.796 -9.494 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 58 114.399 -9.284 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.630 -11.517 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.092 -12.923 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.531 -11.013 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.159 -12.640 1.740 1.00 0.00 H new ATOM 948 N HIS A 59 115.067 -4.476 0.583 1.00 0.00 N ATOM 949 CA HIS A 59 116.323 -4.120 1.311 1.00 0.00 C ATOM 950 C HIS A 59 116.252 -4.586 2.766 1.00 0.00 C ATOM 951 O HIS A 59 115.328 -5.261 3.175 1.00 0.00 O ATOM 952 CB HIS A 59 116.512 -2.602 1.286 1.00 0.00 C ATOM 953 CG HIS A 59 116.828 -2.154 -0.113 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.064 -1.631 -0.461 1.00 0.00 N ATOM 955 CD2 HIS A 59 116.079 -2.140 -1.261 1.00 0.00 C ATOM 956 CE1 HIS A 59 118.021 -1.327 -1.772 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.833 -1.617 -2.308 1.00 0.00 N ATOM 0 H HIS A 59 114.264 -3.879 0.782 1.00 0.00 H new ATOM 0 HA HIS A 59 117.161 -4.614 0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.608 -2.107 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.318 -2.315 1.961 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.861 -1.500 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 59 115.058 -2.483 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.847 -0.901 -2.323 1.00 0.00 H new ATOM 965 N ASN A 60 117.231 -4.219 3.550 1.00 0.00 N ATOM 966 CA ASN A 60 117.244 -4.620 4.985 1.00 0.00 C ATOM 967 C ASN A 60 117.427 -3.372 5.851 1.00 0.00 C ATOM 968 O ASN A 60 117.994 -2.386 5.424 1.00 0.00 O ATOM 969 CB ASN A 60 118.404 -5.584 5.240 1.00 0.00 C ATOM 970 CG ASN A 60 118.450 -6.635 4.133 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.817 -6.338 3.012 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.093 -7.861 4.399 1.00 0.00 N ATOM 0 H ASN A 60 118.027 -3.654 3.254 1.00 0.00 H new ATOM 0 HA ASN A 60 116.304 -5.112 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.345 -5.035 5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.282 -6.067 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.122 -8.571 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.785 -8.110 5.339 1.00 0.00 H new ATOM 979 N SER A 61 116.951 -3.405 7.065 1.00 0.00 N ATOM 980 CA SER A 61 117.094 -2.218 7.955 1.00 0.00 C ATOM 981 C SER A 61 117.723 -2.650 9.284 1.00 0.00 C ATOM 982 O SER A 61 118.860 -2.335 9.572 1.00 0.00 O ATOM 983 CB SER A 61 115.714 -1.609 8.194 1.00 0.00 C ATOM 984 OG SER A 61 115.814 -0.577 9.161 1.00 0.00 O ATOM 0 H SER A 61 116.469 -4.203 7.480 1.00 0.00 H new ATOM 0 HA SER A 61 117.739 -1.474 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.314 -1.211 7.262 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.020 -2.377 8.536 1.00 0.00 H new ATOM 0 HG SER A 61 116.615 -0.718 9.708 1.00 0.00 H new ATOM 990 N TYR A 62 117.001 -3.376 10.090 1.00 0.00 N ATOM 991 CA TYR A 62 117.567 -3.835 11.393 1.00 0.00 C ATOM 992 C TYR A 62 117.091 -5.260 11.666 1.00 0.00 C ATOM 993 O TYR A 62 117.853 -6.117 12.071 1.00 0.00 O ATOM 994 CB TYR A 62 117.098 -2.909 12.518 1.00 0.00 C ATOM 995 CG TYR A 62 117.565 -1.503 12.233 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.829 -1.081 12.660 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.736 -0.623 11.532 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.261 0.219 12.386 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.166 0.677 11.256 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.430 1.101 11.683 1.00 0.00 C ATOM 1001 OH TYR A 62 118.857 2.385 11.411 1.00 0.00 O ATOM 0 H TYR A 62 116.043 -3.673 9.905 1.00 0.00 H new ATOM 0 HA TYR A 62 118.656 -3.812 11.348 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.011 -2.935 12.597 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.495 -3.250 13.474 1.00 0.00 H new ATOM 0 HD1 TYR A 62 119.471 -1.760 13.201 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.760 -0.949 11.203 1.00 0.00 H new ATOM 0 HE1 TYR A 62 120.236 0.544 12.716 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.524 1.355 10.713 1.00 0.00 H new ATOM 0 HH TYR A 62 119.634 2.596 11.969 1.00 0.00 H new ATOM 1011 N ASN A 63 115.837 -5.520 11.439 1.00 0.00 N ATOM 1012 CA ASN A 63 115.298 -6.887 11.671 1.00 0.00 C ATOM 1013 C ASN A 63 114.207 -7.169 10.642 1.00 0.00 C ATOM 1014 O ASN A 63 113.421 -8.084 10.791 1.00 0.00 O ATOM 1015 CB ASN A 63 114.701 -6.969 13.077 1.00 0.00 C ATOM 1016 CG ASN A 63 115.718 -6.450 14.093 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.643 -5.316 14.520 1.00 0.00 O ATOM 1018 ND2 ASN A 63 116.674 -7.239 14.501 1.00 0.00 N ATOM 0 H ASN A 63 115.157 -4.840 11.100 1.00 0.00 H new ATOM 0 HA ASN A 63 116.099 -7.620 11.575 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.785 -6.380 13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.432 -7.999 13.310 1.00 0.00 H new ATOM 0 HD21 ASN A 63 117.358 -6.903 15.179 1.00 0.00 H new ATOM 0 HD22 ASN A 63 116.737 -8.192 14.142 1.00 0.00 H new ATOM 1025 N HIS A 64 114.146 -6.384 9.602 1.00 0.00 N ATOM 1026 CA HIS A 64 113.097 -6.597 8.569 1.00 0.00 C ATOM 1027 C HIS A 64 113.592 -6.083 7.215 1.00 0.00 C ATOM 1028 O HIS A 64 114.742 -5.720 7.065 1.00 0.00 O ATOM 1029 CB HIS A 64 111.836 -5.857 8.995 1.00 0.00 C ATOM 1030 CG HIS A 64 111.340 -6.462 10.278 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.291 -5.745 11.462 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.893 -7.723 10.583 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.827 -6.573 12.415 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.570 -7.791 11.934 1.00 0.00 N ATOM 0 H HIS A 64 114.778 -5.604 9.424 1.00 0.00 H new ATOM 0 HA HIS A 64 112.876 -7.660 8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 64 112.047 -4.797 9.133 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.073 -5.932 8.221 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.805 -8.539 9.881 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.680 -6.286 13.446 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.214 -8.598 12.447 1.00 0.00 H new ATOM 1042 N ASN A 65 112.745 -6.066 6.221 1.00 0.00 N ATOM 1043 CA ASN A 65 113.196 -5.596 4.880 1.00 0.00 C ATOM 1044 C ASN A 65 112.296 -4.466 4.370 1.00 0.00 C ATOM 1045 O ASN A 65 111.108 -4.422 4.642 1.00 0.00 O ATOM 1046 CB ASN A 65 113.147 -6.764 3.893 1.00 0.00 C ATOM 1047 CG ASN A 65 113.992 -7.923 4.428 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.641 -9.073 4.263 1.00 0.00 O ATOM 1049 ND2 ASN A 65 115.101 -7.666 5.066 1.00 0.00 N ATOM 0 H ASN A 65 111.768 -6.355 6.278 1.00 0.00 H new ATOM 0 HA ASN A 65 114.215 -5.219 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.116 -7.088 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.521 -6.447 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.672 -8.431 5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.397 -6.700 5.205 1.00 0.00 H new ATOM 1056 N ILE A 66 112.858 -3.562 3.609 1.00 0.00 N ATOM 1057 CA ILE A 66 112.055 -2.440 3.051 1.00 0.00 C ATOM 1058 C ILE A 66 111.599 -2.825 1.645 1.00 0.00 C ATOM 1059 O ILE A 66 112.344 -2.710 0.691 1.00 0.00 O ATOM 1060 CB ILE A 66 112.917 -1.164 2.985 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.907 -0.478 4.354 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.361 -0.192 1.927 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.269 -1.494 5.437 1.00 0.00 C ATOM 0 H ILE A 66 113.845 -3.556 3.350 1.00 0.00 H new ATOM 0 HA ILE A 66 111.191 -2.248 3.687 1.00 0.00 H new ATOM 0 HB ILE A 66 113.935 -1.440 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.618 0.348 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.923 -0.054 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.982 0.703 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.368 -0.675 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.339 0.084 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.262 -1.005 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.541 -2.305 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.263 -1.897 5.240 1.00 0.00 H new ATOM 1075 N LEU A 67 110.383 -3.266 1.498 1.00 0.00 N ATOM 1076 CA LEU A 67 109.908 -3.633 0.141 1.00 0.00 C ATOM 1077 C LEU A 67 109.571 -2.346 -0.595 1.00 0.00 C ATOM 1078 O LEU A 67 108.447 -1.886 -0.609 1.00 0.00 O ATOM 1079 CB LEU A 67 108.665 -4.520 0.228 1.00 0.00 C ATOM 1080 CG LEU A 67 108.300 -5.015 -1.173 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.578 -6.514 -1.280 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.817 -4.760 -1.432 1.00 0.00 C ATOM 0 H LEU A 67 109.705 -3.387 2.251 1.00 0.00 H new ATOM 0 HA LEU A 67 110.682 -4.190 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.853 -5.367 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.834 -3.960 0.657 1.00 0.00 H new ATOM 0 HG LEU A 67 108.900 -4.481 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.317 -6.862 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.636 -6.702 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 107.980 -7.049 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.556 -5.112 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.221 -5.294 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.613 -3.692 -1.360 1.00 0.00 H new ATOM 1094 N PHE A 68 110.560 -1.769 -1.196 1.00 0.00 N ATOM 1095 CA PHE A 68 110.377 -0.503 -1.940 1.00 0.00 C ATOM 1096 C PHE A 68 109.724 -0.826 -3.280 1.00 0.00 C ATOM 1097 O PHE A 68 110.210 -1.657 -4.008 1.00 0.00 O ATOM 1098 CB PHE A 68 111.775 0.073 -2.175 1.00 0.00 C ATOM 1099 CG PHE A 68 111.774 1.575 -2.105 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.947 2.256 -1.202 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.622 2.287 -2.951 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.974 3.652 -1.155 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.652 3.679 -2.907 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.827 4.367 -2.008 1.00 0.00 C ATOM 0 H PHE A 68 111.514 -2.131 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 68 109.752 0.206 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.463 -0.326 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.141 -0.246 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.291 1.704 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.259 1.757 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.337 4.181 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.310 4.227 -3.565 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.848 5.446 -1.972 1.00 0.00 H new ATOM 1114 N PHE A 69 108.622 -0.204 -3.617 1.00 0.00 N ATOM 1115 CA PHE A 69 107.982 -0.537 -4.924 1.00 0.00 C ATOM 1116 C PHE A 69 107.327 0.695 -5.547 1.00 0.00 C ATOM 1117 O PHE A 69 106.723 1.512 -4.876 1.00 0.00 O ATOM 1118 CB PHE A 69 106.929 -1.637 -4.734 1.00 0.00 C ATOM 1119 CG PHE A 69 105.723 -1.092 -4.003 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.868 -0.566 -2.715 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.453 -1.129 -4.606 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.751 -0.075 -2.030 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.338 -0.641 -3.916 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.485 -0.113 -2.630 1.00 0.00 C ATOM 0 H PHE A 69 108.147 0.504 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 69 108.762 -0.892 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.627 -2.031 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.358 -2.467 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.842 -0.539 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.339 -1.534 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.865 0.334 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.362 -0.672 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.624 0.265 -2.099 1.00 0.00 H new ATOM 1134 N LEU A 70 107.440 0.813 -6.841 1.00 0.00 N ATOM 1135 CA LEU A 70 106.829 1.961 -7.561 1.00 0.00 C ATOM 1136 C LEU A 70 105.539 1.487 -8.229 1.00 0.00 C ATOM 1137 O LEU A 70 105.248 0.309 -8.259 1.00 0.00 O ATOM 1138 CB LEU A 70 107.796 2.455 -8.637 1.00 0.00 C ATOM 1139 CG LEU A 70 108.147 3.924 -8.397 1.00 0.00 C ATOM 1140 CD1 LEU A 70 108.966 4.059 -7.113 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.967 4.439 -9.583 1.00 0.00 C ATOM 0 H LEU A 70 107.938 0.152 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 70 106.617 2.770 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.703 1.850 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.346 2.337 -9.623 1.00 0.00 H new ATOM 0 HG LEU A 70 107.231 4.507 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.213 5.108 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.385 3.686 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.885 3.480 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.222 5.486 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.881 3.853 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.382 4.345 -10.498 1.00 0.00 H new ATOM 1153 N THR A 71 104.773 2.388 -8.775 1.00 0.00 N ATOM 1154 CA THR A 71 103.512 1.975 -9.450 1.00 0.00 C ATOM 1155 C THR A 71 103.299 2.865 -10.686 1.00 0.00 C ATOM 1156 O THR A 71 103.400 4.072 -10.598 1.00 0.00 O ATOM 1157 CB THR A 71 102.344 2.129 -8.475 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.425 3.400 -7.845 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.404 1.024 -7.412 1.00 0.00 C ATOM 0 H THR A 71 104.964 3.390 -8.783 1.00 0.00 H new ATOM 0 HA THR A 71 103.572 0.933 -9.763 1.00 0.00 H new ATOM 0 HB THR A 71 101.404 2.048 -9.020 1.00 0.00 H new ATOM 0 HG1 THR A 71 103.328 3.531 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.569 1.139 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.342 0.049 -7.896 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.343 1.098 -6.863 1.00 0.00 H new ATOM 1167 N PRO A 72 103.044 2.239 -11.812 1.00 0.00 N ATOM 1168 CA PRO A 72 102.856 2.944 -13.097 1.00 0.00 C ATOM 1169 C PRO A 72 101.448 3.541 -13.254 1.00 0.00 C ATOM 1170 O PRO A 72 101.256 4.472 -14.010 1.00 0.00 O ATOM 1171 CB PRO A 72 103.075 1.846 -14.138 1.00 0.00 C ATOM 1172 CG PRO A 72 102.802 0.502 -13.424 1.00 0.00 C ATOM 1173 CD PRO A 72 102.927 0.771 -11.913 1.00 0.00 C ATOM 0 HA PRO A 72 103.534 3.792 -13.188 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.404 1.977 -14.987 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.092 1.878 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.808 0.128 -13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.516 -0.258 -13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.056 0.403 -11.370 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.800 0.272 -11.491 1.00 0.00 H new ATOM 1181 N HIS A 73 100.454 3.022 -12.582 1.00 0.00 N ATOM 1182 CA HIS A 73 99.088 3.600 -12.769 1.00 0.00 C ATOM 1183 C HIS A 73 98.765 4.598 -11.652 1.00 0.00 C ATOM 1184 O HIS A 73 97.614 4.880 -11.381 1.00 0.00 O ATOM 1185 CB HIS A 73 98.017 2.494 -12.817 1.00 0.00 C ATOM 1186 CG HIS A 73 98.396 1.307 -11.967 1.00 0.00 C ATOM 1187 ND1 HIS A 73 99.364 0.340 -12.104 1.00 0.00 N flip ATOM 1188 CD2 HIS A 73 97.692 0.975 -10.820 1.00 0.00 C flip ATOM 1189 CE1 HIS A 73 99.259 -0.580 -11.060 1.00 0.00 C flip ATOM 1190 NE2 HIS A 73 98.237 -0.148 -10.316 1.00 0.00 N flip ATOM 0 H HIS A 73 100.523 2.243 -11.927 1.00 0.00 H new ATOM 0 HA HIS A 73 99.079 4.126 -13.724 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.064 2.897 -12.474 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.874 2.171 -13.848 1.00 0.00 H new ATOM 0 HD2 HIS A 73 96.857 1.519 -10.405 1.00 0.00 H new ATOM 0 HE1 HIS A 73 99.872 -1.453 -10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 73 97.909 -0.613 -9.469 1.00 0.00 H new ATOM 1198 N ARG A 74 99.766 5.157 -11.023 1.00 0.00 N ATOM 1199 CA ARG A 74 99.512 6.156 -9.939 1.00 0.00 C ATOM 1200 C ARG A 74 98.581 5.555 -8.887 1.00 0.00 C ATOM 1201 O ARG A 74 97.901 4.578 -9.132 1.00 0.00 O ATOM 1202 CB ARG A 74 98.861 7.404 -10.539 1.00 0.00 C ATOM 1203 CG ARG A 74 99.656 7.857 -11.765 1.00 0.00 C ATOM 1204 CD ARG A 74 99.771 9.383 -11.763 1.00 0.00 C ATOM 1205 NE ARG A 74 101.192 9.775 -11.979 1.00 0.00 N ATOM 1206 CZ ARG A 74 101.778 9.504 -13.114 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.064 9.336 -14.194 1.00 0.00 N ATOM 1208 NH2 ARG A 74 103.078 9.402 -13.168 1.00 0.00 N ATOM 0 H ARG A 74 100.750 4.966 -11.212 1.00 0.00 H new ATOM 0 HA ARG A 74 100.459 6.425 -9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.830 7.189 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.830 8.202 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.649 7.407 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.163 7.520 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.143 9.807 -12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.412 9.784 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 74 101.707 10.255 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.048 9.416 -14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 74 101.522 9.124 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 74 103.635 9.534 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 74 103.537 9.190 -14.054 1.00 0.00 H new ATOM 1222 N HIS A 75 98.541 6.121 -7.709 1.00 0.00 N ATOM 1223 CA HIS A 75 97.646 5.554 -6.662 1.00 0.00 C ATOM 1224 C HIS A 75 97.381 6.560 -5.554 1.00 0.00 C ATOM 1225 O HIS A 75 97.826 7.691 -5.577 1.00 0.00 O ATOM 1226 CB HIS A 75 98.310 4.338 -6.026 1.00 0.00 C ATOM 1227 CG HIS A 75 98.338 3.221 -7.010 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.219 2.459 -7.291 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.340 2.730 -7.798 1.00 0.00 C ATOM 1230 CE1 HIS A 75 97.573 1.557 -8.217 1.00 0.00 C ATOM 1231 NE2 HIS A 75 98.859 1.680 -8.561 1.00 0.00 N ATOM 0 H HIS A 75 99.082 6.940 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 75 96.706 5.287 -7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 75 99.324 4.586 -5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 75 97.763 4.037 -5.132 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.353 3.104 -7.822 1.00 0.00 H new ATOM 0 HE1 HIS A 75 96.902 0.821 -8.634 1.00 0.00 H new ATOM 0 HE2 HIS A 75 99.375 1.120 -9.240 1.00 0.00 H new ATOM 1239 N ARG A 76 96.687 6.103 -4.556 1.00 0.00 N ATOM 1240 CA ARG A 76 96.387 6.935 -3.373 1.00 0.00 C ATOM 1241 C ARG A 76 96.728 6.079 -2.158 1.00 0.00 C ATOM 1242 O ARG A 76 96.242 4.975 -2.025 1.00 0.00 O ATOM 1243 CB ARG A 76 94.902 7.302 -3.356 1.00 0.00 C ATOM 1244 CG ARG A 76 94.734 8.777 -3.725 1.00 0.00 C ATOM 1245 CD ARG A 76 93.549 9.364 -2.957 1.00 0.00 C ATOM 1246 NE ARG A 76 92.392 9.530 -3.882 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.344 10.209 -3.500 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.487 9.674 -2.673 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.154 11.420 -3.945 1.00 0.00 N ATOM 0 H ARG A 76 96.305 5.158 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 76 96.958 7.863 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.354 6.676 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.482 7.114 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.644 9.328 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.571 8.878 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.276 8.708 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.823 10.326 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 76 92.419 9.114 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.636 8.727 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.668 10.203 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.824 11.837 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.335 11.950 -3.647 1.00 0.00 H new ATOM 1263 N VAL A 77 97.583 6.549 -1.294 1.00 0.00 N ATOM 1264 CA VAL A 77 97.967 5.722 -0.114 1.00 0.00 C ATOM 1265 C VAL A 77 96.735 5.010 0.453 1.00 0.00 C ATOM 1266 O VAL A 77 96.847 3.970 1.063 1.00 0.00 O ATOM 1267 CB VAL A 77 98.625 6.611 0.943 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.550 5.943 2.319 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.092 6.808 0.554 1.00 0.00 C ATOM 0 H VAL A 77 98.031 7.464 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 77 98.684 4.960 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 77 98.108 7.569 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.022 6.586 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.506 5.782 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.068 4.985 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.583 7.440 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.591 5.840 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.148 7.285 -0.425 1.00 0.00 H new ATOM 1279 N SER A 78 95.561 5.541 0.242 1.00 0.00 N ATOM 1280 CA SER A 78 94.343 4.858 0.757 1.00 0.00 C ATOM 1281 C SER A 78 94.088 3.600 -0.083 1.00 0.00 C ATOM 1282 O SER A 78 93.921 2.516 0.439 1.00 0.00 O ATOM 1283 CB SER A 78 93.142 5.799 0.648 1.00 0.00 C ATOM 1284 OG SER A 78 93.601 7.111 0.353 1.00 0.00 O ATOM 0 H SER A 78 95.394 6.412 -0.261 1.00 0.00 H new ATOM 0 HA SER A 78 94.487 4.583 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.464 5.454 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.579 5.799 1.581 1.00 0.00 H new ATOM 0 HG SER A 78 92.834 7.717 0.281 1.00 0.00 H new ATOM 1290 N ALA A 79 94.061 3.737 -1.383 1.00 0.00 N ATOM 1291 CA ALA A 79 93.822 2.553 -2.261 1.00 0.00 C ATOM 1292 C ALA A 79 94.954 1.539 -2.074 1.00 0.00 C ATOM 1293 O ALA A 79 94.724 0.396 -1.735 1.00 0.00 O ATOM 1294 CB ALA A 79 93.778 3.001 -3.723 1.00 0.00 C ATOM 0 H ALA A 79 94.194 4.620 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 79 92.872 2.091 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.604 2.136 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.972 3.722 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.728 3.465 -3.990 1.00 0.00 H new ATOM 1300 N ILE A 80 96.176 1.948 -2.285 1.00 0.00 N ATOM 1301 CA ILE A 80 97.318 1.009 -2.107 1.00 0.00 C ATOM 1302 C ILE A 80 97.283 0.480 -0.673 1.00 0.00 C ATOM 1303 O ILE A 80 97.639 -0.649 -0.405 1.00 0.00 O ATOM 1304 CB ILE A 80 98.637 1.749 -2.357 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.734 2.138 -3.847 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.815 0.849 -1.961 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.419 1.028 -4.655 1.00 0.00 C ATOM 0 H ILE A 80 96.432 2.892 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 80 97.242 0.182 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 80 98.670 2.656 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.736 2.322 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.294 3.067 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.752 1.377 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.738 0.593 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.793 -0.063 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.477 1.323 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.425 0.864 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.843 0.107 -4.569 1.00 0.00 H new ATOM 1319 N ASN A 81 96.833 1.291 0.248 1.00 0.00 N ATOM 1320 CA ASN A 81 96.745 0.839 1.665 1.00 0.00 C ATOM 1321 C ASN A 81 95.769 -0.335 1.733 1.00 0.00 C ATOM 1322 O ASN A 81 95.948 -1.268 2.488 1.00 0.00 O ATOM 1323 CB ASN A 81 96.230 1.994 2.534 1.00 0.00 C ATOM 1324 CG ASN A 81 95.680 1.455 3.855 1.00 0.00 C ATOM 1325 OD1 ASN A 81 96.199 0.379 4.371 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 94.767 2.021 4.424 1.00 0.00 N flip ATOM 0 H ASN A 81 96.523 2.248 0.078 1.00 0.00 H new ATOM 0 HA ASN A 81 97.725 0.531 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.037 2.700 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.450 2.539 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.359 2.864 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.409 1.652 5.305 1.00 0.00 H new ATOM 1333 N ASN A 82 94.736 -0.288 0.940 1.00 0.00 N ATOM 1334 CA ASN A 82 93.740 -1.391 0.938 1.00 0.00 C ATOM 1335 C ASN A 82 94.442 -2.711 0.617 1.00 0.00 C ATOM 1336 O ASN A 82 94.149 -3.735 1.204 1.00 0.00 O ATOM 1337 CB ASN A 82 92.672 -1.110 -0.124 1.00 0.00 C ATOM 1338 CG ASN A 82 91.284 -1.163 0.518 1.00 0.00 C ATOM 1339 OD1 ASN A 82 90.840 -2.210 0.945 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.575 -0.070 0.603 1.00 0.00 N ATOM 0 H ASN A 82 94.539 0.473 0.290 1.00 0.00 H new ATOM 0 HA ASN A 82 93.270 -1.459 1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.839 -0.131 -0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.741 -1.844 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.648 -0.095 1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.948 0.809 0.244 1.00 0.00 H new ATOM 1347 N TYR A 83 95.366 -2.706 -0.309 1.00 0.00 N ATOM 1348 CA TYR A 83 96.071 -3.981 -0.645 1.00 0.00 C ATOM 1349 C TYR A 83 97.221 -4.210 0.334 1.00 0.00 C ATOM 1350 O TYR A 83 97.204 -5.134 1.121 1.00 0.00 O ATOM 1351 CB TYR A 83 96.635 -3.922 -2.066 1.00 0.00 C ATOM 1352 CG TYR A 83 97.504 -5.139 -2.291 1.00 0.00 C ATOM 1353 CD1 TYR A 83 96.981 -6.417 -2.065 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.830 -4.992 -2.717 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.779 -7.546 -2.265 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.629 -6.123 -2.916 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.103 -7.400 -2.691 1.00 0.00 C ATOM 1358 OH TYR A 83 99.890 -8.516 -2.884 1.00 0.00 O ATOM 0 H TYR A 83 95.661 -1.887 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 83 95.354 -4.799 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.824 -3.896 -2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.217 -3.011 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 83 95.959 -6.531 -1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.235 -4.006 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.373 -8.532 -2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.652 -6.010 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 83 99.323 -9.315 -2.915 1.00 0.00 H new ATOM 1368 N ALA A 84 98.228 -3.383 0.281 1.00 0.00 N ATOM 1369 CA ALA A 84 99.386 -3.557 1.200 1.00 0.00 C ATOM 1370 C ALA A 84 98.882 -3.895 2.603 1.00 0.00 C ATOM 1371 O ALA A 84 99.558 -4.540 3.375 1.00 0.00 O ATOM 1372 CB ALA A 84 100.195 -2.261 1.248 1.00 0.00 C ATOM 0 H ALA A 84 98.298 -2.593 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 84 100.017 -4.369 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.044 -2.386 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.557 -2.021 0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.562 -1.450 1.609 1.00 0.00 H new ATOM 1378 N GLN A 85 97.700 -3.465 2.943 1.00 0.00 N ATOM 1379 CA GLN A 85 97.168 -3.766 4.302 1.00 0.00 C ATOM 1380 C GLN A 85 96.626 -5.195 4.342 1.00 0.00 C ATOM 1381 O GLN A 85 96.869 -5.930 5.278 1.00 0.00 O ATOM 1382 CB GLN A 85 96.048 -2.783 4.644 1.00 0.00 C ATOM 1383 CG GLN A 85 95.519 -3.077 6.049 1.00 0.00 C ATOM 1384 CD GLN A 85 96.396 -2.370 7.084 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.288 -1.174 7.274 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.267 -3.062 7.767 1.00 0.00 N ATOM 0 H GLN A 85 97.081 -2.920 2.342 1.00 0.00 H new ATOM 0 HA GLN A 85 97.972 -3.667 5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.420 -1.760 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.241 -2.867 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.487 -2.738 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.518 -4.152 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.358 -4.065 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.856 -2.599 8.459 1.00 0.00 H new ATOM 1395 N LYS A 86 95.909 -5.609 3.331 1.00 0.00 N ATOM 1396 CA LYS A 86 95.387 -7.000 3.332 1.00 0.00 C ATOM 1397 C LYS A 86 96.564 -7.934 3.585 1.00 0.00 C ATOM 1398 O LYS A 86 96.412 -9.045 4.054 1.00 0.00 O ATOM 1399 CB LYS A 86 94.756 -7.317 1.974 1.00 0.00 C ATOM 1400 CG LYS A 86 93.430 -8.050 2.184 1.00 0.00 C ATOM 1401 CD LYS A 86 93.371 -9.275 1.271 1.00 0.00 C ATOM 1402 CE LYS A 86 92.191 -10.160 1.679 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.839 -11.070 0.552 1.00 0.00 N ATOM 0 H LYS A 86 95.666 -5.048 2.514 1.00 0.00 H new ATOM 0 HA LYS A 86 94.627 -7.124 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.590 -6.396 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.433 -7.932 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.333 -8.355 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.596 -7.383 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 86 93.263 -8.963 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 86 94.302 -9.838 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.448 -10.742 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.333 -9.542 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.037 -11.672 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.577 -10.505 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.657 -11.669 0.321 1.00 0.00 H new ATOM 1417 N LEU A 87 97.743 -7.470 3.284 1.00 0.00 N ATOM 1418 CA LEU A 87 98.958 -8.290 3.503 1.00 0.00 C ATOM 1419 C LEU A 87 99.520 -7.986 4.891 1.00 0.00 C ATOM 1420 O LEU A 87 100.627 -7.514 5.035 1.00 0.00 O ATOM 1421 CB LEU A 87 99.990 -7.930 2.433 1.00 0.00 C ATOM 1422 CG LEU A 87 99.328 -8.011 1.057 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.739 -6.806 0.206 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.771 -9.298 0.368 1.00 0.00 C ATOM 0 H LEU A 87 97.915 -6.545 2.891 1.00 0.00 H new ATOM 0 HA LEU A 87 98.719 -9.351 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.377 -6.926 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.839 -8.612 2.483 1.00 0.00 H new ATOM 0 HG LEU A 87 98.244 -8.007 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.263 -6.872 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.425 -5.887 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.822 -6.800 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.304 -9.364 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.855 -9.295 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.471 -10.155 0.971 1.00 0.00 H new ATOM 1436 N CYS A 88 98.757 -8.249 5.917 1.00 0.00 N ATOM 1437 CA CYS A 88 99.243 -7.974 7.299 1.00 0.00 C ATOM 1438 C CYS A 88 98.815 -9.115 8.225 1.00 0.00 C ATOM 1439 O CYS A 88 98.799 -8.978 9.432 1.00 0.00 O ATOM 1440 CB CYS A 88 98.644 -6.660 7.802 1.00 0.00 C ATOM 1441 SG CYS A 88 99.597 -6.069 9.223 1.00 0.00 S ATOM 0 H CYS A 88 97.818 -8.643 5.858 1.00 0.00 H new ATOM 0 HA CYS A 88 100.330 -7.897 7.292 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.656 -5.914 7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.602 -6.808 8.085 1.00 0.00 H new ATOM 0 HG CYS A 88 99.770 -7.044 10.065 1.00 0.00 H new ATOM 1447 N THR A 89 98.468 -10.242 7.667 1.00 0.00 N ATOM 1448 CA THR A 89 98.039 -11.394 8.510 1.00 0.00 C ATOM 1449 C THR A 89 99.274 -12.102 9.063 1.00 0.00 C ATOM 1450 O THR A 89 99.634 -11.930 10.211 1.00 0.00 O ATOM 1451 CB THR A 89 97.216 -12.358 7.656 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.872 -12.584 6.416 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.851 -11.740 7.391 1.00 0.00 C ATOM 0 H THR A 89 98.463 -10.415 6.662 1.00 0.00 H new ATOM 0 HA THR A 89 97.429 -11.043 9.343 1.00 0.00 H new ATOM 0 HB THR A 89 97.105 -13.306 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.341 -13.204 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.256 -12.420 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.342 -11.561 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.976 -10.795 6.862 1.00 0.00 H new ATOM 1461 N PHE A 90 99.928 -12.880 8.247 1.00 0.00 N ATOM 1462 CA PHE A 90 101.158 -13.591 8.691 1.00 0.00 C ATOM 1463 C PHE A 90 101.971 -12.699 9.634 1.00 0.00 C ATOM 1464 O PHE A 90 101.762 -12.694 10.832 1.00 0.00 O ATOM 1465 CB PHE A 90 102.021 -13.949 7.470 1.00 0.00 C ATOM 1466 CG PHE A 90 101.796 -12.980 6.313 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.365 -11.657 6.534 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.038 -13.417 5.004 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.178 -10.790 5.451 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.848 -12.546 3.923 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.418 -11.233 4.147 1.00 0.00 C ATOM 0 H PHE A 90 99.659 -13.055 7.279 1.00 0.00 H new ATOM 0 HA PHE A 90 100.866 -14.501 9.215 1.00 0.00 H new ATOM 0 HB2 PHE A 90 103.073 -13.939 7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.788 -14.963 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 90 101.179 -11.311 7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.372 -14.429 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.847 -9.776 5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.034 -12.888 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.272 -10.563 3.313 1.00 0.00 H new ATOM 1481 N SER A 91 102.901 -11.947 9.108 1.00 0.00 N ATOM 1482 CA SER A 91 103.727 -11.063 9.980 1.00 0.00 C ATOM 1483 C SER A 91 103.104 -9.666 10.036 1.00 0.00 C ATOM 1484 O SER A 91 101.941 -9.485 9.731 1.00 0.00 O ATOM 1485 CB SER A 91 105.140 -10.970 9.408 1.00 0.00 C ATOM 1486 OG SER A 91 105.671 -12.280 9.252 1.00 0.00 O ATOM 0 H SER A 91 103.124 -11.907 8.113 1.00 0.00 H new ATOM 0 HA SER A 91 103.766 -11.479 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 91 105.123 -10.455 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.776 -10.384 10.072 1.00 0.00 H new ATOM 0 HG SER A 91 106.547 -12.228 8.816 1.00 0.00 H new ATOM 1492 N PHE A 92 103.863 -8.675 10.426 1.00 0.00 N ATOM 1493 CA PHE A 92 103.299 -7.297 10.497 1.00 0.00 C ATOM 1494 C PHE A 92 103.509 -6.586 9.162 1.00 0.00 C ATOM 1495 O PHE A 92 104.224 -7.059 8.301 1.00 0.00 O ATOM 1496 CB PHE A 92 103.977 -6.511 11.630 1.00 0.00 C ATOM 1497 CG PHE A 92 105.391 -6.105 11.255 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.620 -5.158 10.247 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.481 -6.663 11.936 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.925 -4.774 9.929 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.781 -6.277 11.614 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.006 -5.329 10.610 1.00 0.00 C ATOM 0 H PHE A 92 104.843 -8.760 10.697 1.00 0.00 H new ATOM 0 HA PHE A 92 102.230 -7.356 10.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.390 -5.621 11.859 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.999 -7.120 12.534 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.786 -4.724 9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.313 -7.394 12.713 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.096 -4.044 9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.618 -6.711 12.141 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.014 -5.029 10.364 1.00 0.00 H new ATOM 1512 N LEU A 93 102.895 -5.447 8.984 1.00 0.00 N ATOM 1513 CA LEU A 93 103.067 -4.709 7.703 1.00 0.00 C ATOM 1514 C LEU A 93 103.110 -3.200 7.968 1.00 0.00 C ATOM 1515 O LEU A 93 102.393 -2.681 8.802 1.00 0.00 O ATOM 1516 CB LEU A 93 101.899 -5.032 6.770 1.00 0.00 C ATOM 1517 CG LEU A 93 101.884 -4.043 5.603 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.911 -4.808 4.282 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.614 -3.194 5.673 1.00 0.00 C ATOM 0 H LEU A 93 102.285 -4.999 9.668 1.00 0.00 H new ATOM 0 HA LEU A 93 104.004 -5.014 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.992 -6.051 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.958 -4.978 7.317 1.00 0.00 H new ATOM 0 HG LEU A 93 102.760 -3.397 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.900 -4.101 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.816 -5.414 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.036 -5.455 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.602 -2.489 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.739 -3.842 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.594 -2.646 6.615 1.00 0.00 H new ATOM 1531 N ILE A 94 103.935 -2.497 7.244 1.00 0.00 N ATOM 1532 CA ILE A 94 104.031 -1.019 7.415 1.00 0.00 C ATOM 1533 C ILE A 94 104.156 -0.385 6.029 1.00 0.00 C ATOM 1534 O ILE A 94 105.179 0.165 5.671 1.00 0.00 O ATOM 1535 CB ILE A 94 105.261 -0.671 8.267 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.948 -0.951 9.739 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.618 0.812 8.101 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.521 -2.311 10.137 1.00 0.00 C ATOM 0 H ILE A 94 104.554 -2.887 6.533 1.00 0.00 H new ATOM 0 HA ILE A 94 103.143 -0.639 7.921 1.00 0.00 H new ATOM 0 HB ILE A 94 106.105 -1.279 7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.374 -0.168 10.367 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.870 -0.938 9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.491 1.046 8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.840 1.018 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.777 1.427 8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.297 -2.508 11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 94 105.074 -3.089 9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.601 -2.307 9.992 1.00 0.00 H new ATOM 1550 N CYS A 95 103.123 -0.472 5.239 1.00 0.00 N ATOM 1551 CA CYS A 95 103.182 0.114 3.873 1.00 0.00 C ATOM 1552 C CYS A 95 102.656 1.552 3.907 1.00 0.00 C ATOM 1553 O CYS A 95 101.557 1.810 4.359 1.00 0.00 O ATOM 1554 CB CYS A 95 102.319 -0.720 2.925 1.00 0.00 C ATOM 1555 SG CYS A 95 102.250 0.086 1.307 1.00 0.00 S ATOM 0 H CYS A 95 102.241 -0.924 5.481 1.00 0.00 H new ATOM 0 HA CYS A 95 104.214 0.114 3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.734 -1.723 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.314 -0.829 3.332 1.00 0.00 H new ATOM 0 HG CYS A 95 101.009 0.273 0.968 1.00 0.00 H new ATOM 1561 N LYS A 96 103.429 2.492 3.434 1.00 0.00 N ATOM 1562 CA LYS A 96 102.965 3.909 3.441 1.00 0.00 C ATOM 1563 C LYS A 96 103.403 4.597 2.147 1.00 0.00 C ATOM 1564 O LYS A 96 104.083 4.017 1.325 1.00 0.00 O ATOM 1565 CB LYS A 96 103.572 4.642 4.640 1.00 0.00 C ATOM 1566 CG LYS A 96 102.485 4.905 5.684 1.00 0.00 C ATOM 1567 CD LYS A 96 102.360 3.691 6.609 1.00 0.00 C ATOM 1568 CE LYS A 96 102.167 4.164 8.050 1.00 0.00 C ATOM 1569 NZ LYS A 96 101.921 2.987 8.930 1.00 0.00 N ATOM 0 H LYS A 96 104.359 2.341 3.044 1.00 0.00 H new ATOM 0 HA LYS A 96 101.878 3.933 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.373 4.045 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.016 5.584 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.731 5.794 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.532 5.100 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 96 101.517 3.072 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.253 3.071 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.050 4.706 8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.327 4.856 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.790 3.308 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.066 2.488 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 102.736 2.342 8.883 1.00 0.00 H new ATOM 1583 N GLY A 97 103.018 5.830 1.960 1.00 0.00 N ATOM 1584 CA GLY A 97 103.413 6.553 0.718 1.00 0.00 C ATOM 1585 C GLY A 97 104.657 7.398 0.993 1.00 0.00 C ATOM 1586 O GLY A 97 104.861 7.882 2.089 1.00 0.00 O ATOM 0 H GLY A 97 102.448 6.367 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.614 5.840 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.596 7.190 0.380 1.00 0.00 H new ATOM 1590 N VAL A 98 105.492 7.581 0.008 1.00 0.00 N ATOM 1591 CA VAL A 98 106.722 8.396 0.219 1.00 0.00 C ATOM 1592 C VAL A 98 106.696 9.607 -0.718 1.00 0.00 C ATOM 1593 O VAL A 98 106.158 9.549 -1.805 1.00 0.00 O ATOM 1594 CB VAL A 98 107.955 7.540 -0.075 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.216 8.388 0.088 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.003 6.368 0.908 1.00 0.00 C ATOM 0 H VAL A 98 105.377 7.203 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 98 106.761 8.741 1.252 1.00 0.00 H new ATOM 0 HB VAL A 98 107.900 7.162 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.094 7.778 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.183 9.227 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.271 8.765 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.881 5.756 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.059 6.750 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.104 5.762 0.796 1.00 0.00 H new ATOM 1606 N ASN A 99 107.266 10.705 -0.302 1.00 0.00 N ATOM 1607 CA ASN A 99 107.263 11.919 -1.167 1.00 0.00 C ATOM 1608 C ASN A 99 108.540 11.960 -2.009 1.00 0.00 C ATOM 1609 O ASN A 99 108.687 12.784 -2.889 1.00 0.00 O ATOM 1610 CB ASN A 99 107.193 13.169 -0.287 1.00 0.00 C ATOM 1611 CG ASN A 99 105.968 13.086 0.624 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.775 12.104 1.313 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.125 14.081 0.656 1.00 0.00 N ATOM 0 H ASN A 99 107.733 10.814 0.598 1.00 0.00 H new ATOM 0 HA ASN A 99 106.398 11.887 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.099 13.256 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.136 14.062 -0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.304 14.035 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.287 14.905 0.078 1.00 0.00 H new ATOM 1620 N LYS A 100 109.468 11.080 -1.748 1.00 0.00 N ATOM 1621 CA LYS A 100 110.731 11.078 -2.538 1.00 0.00 C ATOM 1622 C LYS A 100 111.277 9.651 -2.645 1.00 0.00 C ATOM 1623 O LYS A 100 112.182 9.266 -1.928 1.00 0.00 O ATOM 1624 CB LYS A 100 111.765 11.967 -1.845 1.00 0.00 C ATOM 1625 CG LYS A 100 112.705 12.570 -2.891 1.00 0.00 C ATOM 1626 CD LYS A 100 112.090 13.855 -3.450 1.00 0.00 C ATOM 1627 CE LYS A 100 113.205 14.844 -3.797 1.00 0.00 C ATOM 1628 NZ LYS A 100 112.618 16.037 -4.471 1.00 0.00 N ATOM 0 H LYS A 100 109.406 10.364 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 100 110.529 11.460 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.264 12.761 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.335 11.384 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.675 12.784 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.876 11.856 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.498 13.632 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.413 14.295 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.732 15.147 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.938 14.368 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.375 16.710 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.134 15.740 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.935 16.494 -3.834 1.00 0.00 H new ATOM 1642 N GLU A 101 110.740 8.863 -3.540 1.00 0.00 N ATOM 1643 CA GLU A 101 111.241 7.467 -3.691 1.00 0.00 C ATOM 1644 C GLU A 101 112.765 7.498 -3.772 1.00 0.00 C ATOM 1645 O GLU A 101 113.453 6.943 -2.939 1.00 0.00 O ATOM 1646 CB GLU A 101 110.683 6.851 -4.976 1.00 0.00 C ATOM 1647 CG GLU A 101 110.893 5.336 -4.944 1.00 0.00 C ATOM 1648 CD GLU A 101 109.857 4.693 -4.020 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.616 5.242 -2.957 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.321 3.662 -4.390 1.00 0.00 O ATOM 0 H GLU A 101 109.981 9.125 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 101 110.920 6.870 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.622 7.080 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.182 7.280 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.803 4.925 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.899 5.106 -4.594 1.00 0.00 H new ATOM 1657 N TYR A 102 113.288 8.147 -4.779 1.00 0.00 N ATOM 1658 CA TYR A 102 114.769 8.236 -4.945 1.00 0.00 C ATOM 1659 C TYR A 102 115.447 8.370 -3.578 1.00 0.00 C ATOM 1660 O TYR A 102 116.204 7.518 -3.169 1.00 0.00 O ATOM 1661 CB TYR A 102 115.108 9.460 -5.798 1.00 0.00 C ATOM 1662 CG TYR A 102 116.597 9.510 -6.047 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.460 9.963 -5.041 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.115 9.103 -7.282 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.840 10.009 -5.271 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.495 9.148 -7.511 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.359 9.601 -6.507 1.00 0.00 C ATOM 1668 OH TYR A 102 120.719 9.646 -6.733 1.00 0.00 O ATOM 0 H TYR A 102 112.747 8.624 -5.500 1.00 0.00 H new ATOM 0 HA TYR A 102 115.128 7.330 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.572 9.414 -6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.783 10.369 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.061 10.277 -4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.450 8.754 -8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.505 10.359 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.894 8.833 -8.464 1.00 0.00 H new ATOM 0 HH TYR A 102 120.911 9.328 -7.640 1.00 0.00 H new ATOM 1678 N LEU A 103 115.184 9.435 -2.871 1.00 0.00 N ATOM 1679 CA LEU A 103 115.816 9.623 -1.534 1.00 0.00 C ATOM 1680 C LEU A 103 115.793 8.318 -0.736 1.00 0.00 C ATOM 1681 O LEU A 103 116.813 7.698 -0.514 1.00 0.00 O ATOM 1682 CB LEU A 103 115.057 10.695 -0.761 1.00 0.00 C ATOM 1683 CG LEU A 103 116.021 11.821 -0.394 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.004 11.324 0.665 1.00 0.00 C ATOM 1685 CD2 LEU A 103 116.801 12.255 -1.633 1.00 0.00 C ATOM 0 H LEU A 103 114.557 10.185 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 103 116.852 9.928 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.236 11.084 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.616 10.268 0.140 1.00 0.00 H new ATOM 0 HG LEU A 103 115.453 12.666 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.693 12.127 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.455 11.012 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.567 10.478 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.488 13.059 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.366 11.408 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.106 12.608 -2.395 1.00 0.00 H new ATOM 1697 N MET A 104 114.639 7.908 -0.285 1.00 0.00 N ATOM 1698 CA MET A 104 114.551 6.655 0.520 1.00 0.00 C ATOM 1699 C MET A 104 115.451 5.571 -0.084 1.00 0.00 C ATOM 1700 O MET A 104 116.004 4.752 0.622 1.00 0.00 O ATOM 1701 CB MET A 104 113.101 6.166 0.542 1.00 0.00 C ATOM 1702 CG MET A 104 112.905 5.210 1.721 1.00 0.00 C ATOM 1703 SD MET A 104 111.433 5.698 2.654 1.00 0.00 S ATOM 1704 CE MET A 104 111.164 4.120 3.498 1.00 0.00 C ATOM 0 H MET A 104 113.752 8.387 -0.439 1.00 0.00 H new ATOM 0 HA MET A 104 114.884 6.862 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.421 7.013 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.862 5.661 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.797 4.187 1.360 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.782 5.229 2.368 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.094 3.928 3.578 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.635 3.318 2.929 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.601 4.162 4.496 1.00 0.00 H new ATOM 1714 N TYR A 105 115.601 5.553 -1.379 1.00 0.00 N ATOM 1715 CA TYR A 105 116.463 4.514 -2.015 1.00 0.00 C ATOM 1716 C TYR A 105 117.936 4.767 -1.678 1.00 0.00 C ATOM 1717 O TYR A 105 118.611 3.915 -1.137 1.00 0.00 O ATOM 1718 CB TYR A 105 116.272 4.554 -3.529 1.00 0.00 C ATOM 1719 CG TYR A 105 117.229 3.585 -4.183 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.576 3.930 -4.344 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.769 2.340 -4.627 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.462 3.032 -4.947 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.654 1.442 -5.231 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.002 1.786 -5.392 1.00 0.00 C ATOM 1725 OH TYR A 105 119.875 0.899 -5.988 1.00 0.00 O ATOM 0 H TYR A 105 115.165 6.211 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 105 116.177 3.534 -1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.244 4.295 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.448 5.563 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.931 4.891 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.730 2.073 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.501 3.299 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.298 0.482 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 105 120.279 1.318 -6.777 1.00 0.00 H new ATOM 1735 N SER A 106 118.447 5.927 -1.996 1.00 0.00 N ATOM 1736 CA SER A 106 119.876 6.217 -1.690 1.00 0.00 C ATOM 1737 C SER A 106 120.153 5.892 -0.222 1.00 0.00 C ATOM 1738 O SER A 106 121.003 5.084 0.094 1.00 0.00 O ATOM 1739 CB SER A 106 120.169 7.696 -1.950 1.00 0.00 C ATOM 1740 OG SER A 106 121.516 7.976 -1.596 1.00 0.00 O ATOM 0 H SER A 106 117.937 6.683 -2.453 1.00 0.00 H new ATOM 0 HA SER A 106 120.516 5.607 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.000 7.933 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.491 8.321 -1.369 1.00 0.00 H new ATOM 0 HG SER A 106 121.708 8.922 -1.763 1.00 0.00 H new ATOM 1746 N ALA A 107 119.439 6.510 0.677 1.00 0.00 N ATOM 1747 CA ALA A 107 119.660 6.230 2.123 1.00 0.00 C ATOM 1748 C ALA A 107 119.518 4.727 2.374 1.00 0.00 C ATOM 1749 O ALA A 107 120.098 4.181 3.291 1.00 0.00 O ATOM 1750 CB ALA A 107 118.616 6.985 2.951 1.00 0.00 C ATOM 0 H ALA A 107 118.713 7.196 0.473 1.00 0.00 H new ATOM 0 HA ALA A 107 120.659 6.556 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.775 6.782 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.711 8.055 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.617 6.656 2.665 1.00 0.00 H new ATOM 1756 N LEU A 108 118.745 4.056 1.564 1.00 0.00 N ATOM 1757 CA LEU A 108 118.555 2.588 1.748 1.00 0.00 C ATOM 1758 C LEU A 108 119.833 1.840 1.350 1.00 0.00 C ATOM 1759 O LEU A 108 120.174 0.828 1.930 1.00 0.00 O ATOM 1760 CB LEU A 108 117.393 2.117 0.871 1.00 0.00 C ATOM 1761 CG LEU A 108 116.095 2.137 1.682 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.960 1.549 0.841 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.271 1.303 2.954 1.00 0.00 C ATOM 0 H LEU A 108 118.235 4.462 0.780 1.00 0.00 H new ATOM 0 HA LEU A 108 118.334 2.382 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.298 2.763 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.588 1.110 0.502 1.00 0.00 H new ATOM 0 HG LEU A 108 115.854 3.165 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.035 1.563 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.832 2.143 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.203 0.522 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.346 1.318 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.514 0.275 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.079 1.721 3.554 1.00 0.00 H new ATOM 1775 N THR A 109 120.542 2.325 0.366 1.00 0.00 N ATOM 1776 CA THR A 109 121.793 1.632 -0.062 1.00 0.00 C ATOM 1777 C THR A 109 122.928 1.994 0.898 1.00 0.00 C ATOM 1778 O THR A 109 123.910 1.287 1.007 1.00 0.00 O ATOM 1779 CB THR A 109 122.166 2.069 -1.483 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.715 3.381 -1.450 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.919 2.058 -2.368 1.00 0.00 C ATOM 0 H THR A 109 120.311 3.168 -0.159 1.00 0.00 H new ATOM 0 HA THR A 109 121.632 0.554 -0.048 1.00 0.00 H new ATOM 0 HB THR A 109 122.904 1.378 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.131 3.967 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 109 121.187 2.369 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.502 1.051 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.178 2.746 -1.961 1.00 0.00 H new ATOM 1789 N ARG A 110 122.801 3.089 1.595 1.00 0.00 N ATOM 1790 CA ARG A 110 123.872 3.491 2.549 1.00 0.00 C ATOM 1791 C ARG A 110 123.552 2.926 3.935 1.00 0.00 C ATOM 1792 O ARG A 110 122.452 3.063 4.433 1.00 0.00 O ATOM 1793 CB ARG A 110 123.944 5.017 2.624 1.00 0.00 C ATOM 1794 CG ARG A 110 125.082 5.520 1.734 1.00 0.00 C ATOM 1795 CD ARG A 110 126.242 6.001 2.609 1.00 0.00 C ATOM 1796 NE ARG A 110 127.534 5.687 1.937 1.00 0.00 N ATOM 1797 CZ ARG A 110 128.273 6.652 1.459 1.00 0.00 C ATOM 1798 NH1 ARG A 110 128.848 7.498 2.271 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.437 6.772 0.169 1.00 0.00 N ATOM 0 H ARG A 110 122.003 3.722 1.545 1.00 0.00 H new ATOM 0 HA ARG A 110 124.831 3.101 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.998 5.452 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.107 5.334 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.419 4.723 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 110 124.729 6.334 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.161 7.074 2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.200 5.517 3.585 1.00 0.00 H new ATOM 0 HE ARG A 110 127.841 4.718 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 110 128.720 7.405 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 110 129.425 8.252 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.988 6.112 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 110 129.014 7.526 -0.204 1.00 0.00 H new ATOM 1813 N ASP A 111 124.503 2.291 4.563 1.00 0.00 N ATOM 1814 CA ASP A 111 124.247 1.722 5.914 1.00 0.00 C ATOM 1815 C ASP A 111 123.498 2.754 6.762 1.00 0.00 C ATOM 1816 O ASP A 111 123.511 3.929 6.457 1.00 0.00 O ATOM 1817 CB ASP A 111 125.579 1.378 6.585 1.00 0.00 C ATOM 1818 CG ASP A 111 125.935 -0.081 6.298 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.597 -0.553 5.225 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.541 -0.702 7.156 1.00 0.00 O ATOM 0 H ASP A 111 125.444 2.142 4.199 1.00 0.00 H new ATOM 0 HA ASP A 111 123.645 0.818 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.365 2.035 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.509 1.541 7.660 1.00 0.00 H new ATOM 1825 N PRO A 112 122.870 2.280 7.807 1.00 0.00 N ATOM 1826 CA PRO A 112 122.862 0.849 8.166 1.00 0.00 C ATOM 1827 C PRO A 112 121.841 0.077 7.320 1.00 0.00 C ATOM 1828 O PRO A 112 121.487 -1.043 7.636 1.00 0.00 O ATOM 1829 CB PRO A 112 122.444 0.855 9.638 1.00 0.00 C ATOM 1830 CG PRO A 112 121.694 2.189 9.873 1.00 0.00 C ATOM 1831 CD PRO A 112 122.113 3.139 8.736 1.00 0.00 C ATOM 0 HA PRO A 112 123.823 0.364 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.802 0.003 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.315 0.779 10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.615 2.032 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.951 2.611 10.844 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.245 3.584 8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.726 3.960 9.108 1.00 0.00 H new ATOM 1839 N PHE A 113 121.360 0.657 6.253 1.00 0.00 N ATOM 1840 CA PHE A 113 120.362 -0.057 5.406 1.00 0.00 C ATOM 1841 C PHE A 113 121.088 -0.940 4.392 1.00 0.00 C ATOM 1842 O PHE A 113 121.819 -0.463 3.547 1.00 0.00 O ATOM 1843 CB PHE A 113 119.488 0.964 4.675 1.00 0.00 C ATOM 1844 CG PHE A 113 118.641 1.696 5.686 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.733 0.987 6.479 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.778 3.080 5.847 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.962 1.658 7.432 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.003 3.753 6.796 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.095 3.042 7.591 1.00 0.00 C ATOM 0 H PHE A 113 121.614 1.591 5.932 1.00 0.00 H new ATOM 0 HA PHE A 113 119.731 -0.683 6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.112 1.669 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.853 0.462 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.628 -0.081 6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.482 3.628 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.264 1.109 8.046 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.104 4.821 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.498 3.561 8.326 1.00 0.00 H new ATOM 1859 N SER A 114 120.893 -2.229 4.471 1.00 0.00 N ATOM 1860 CA SER A 114 121.570 -3.149 3.515 1.00 0.00 C ATOM 1861 C SER A 114 120.673 -3.371 2.295 1.00 0.00 C ATOM 1862 O SER A 114 119.611 -2.792 2.180 1.00 0.00 O ATOM 1863 CB SER A 114 121.844 -4.488 4.201 1.00 0.00 C ATOM 1864 OG SER A 114 123.247 -4.639 4.388 1.00 0.00 O ATOM 0 H SER A 114 120.292 -2.684 5.158 1.00 0.00 H new ATOM 0 HA SER A 114 122.513 -2.708 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.330 -4.530 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.455 -5.307 3.595 1.00 0.00 H new ATOM 0 HG SER A 114 123.428 -5.495 4.829 1.00 0.00 H new ATOM 1870 N VAL A 115 121.092 -4.205 1.383 1.00 0.00 N ATOM 1871 CA VAL A 115 120.265 -4.462 0.173 1.00 0.00 C ATOM 1872 C VAL A 115 120.147 -5.970 -0.060 1.00 0.00 C ATOM 1873 O VAL A 115 121.083 -6.716 0.154 1.00 0.00 O ATOM 1874 CB VAL A 115 120.932 -3.814 -1.040 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.059 -4.023 -2.278 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.103 -2.314 -0.785 1.00 0.00 C ATOM 0 H VAL A 115 121.972 -4.719 1.425 1.00 0.00 H new ATOM 0 HA VAL A 115 119.271 -4.040 0.317 1.00 0.00 H new ATOM 0 HB VAL A 115 121.908 -4.271 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.536 -3.560 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.935 -5.091 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.082 -3.567 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.579 -1.850 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.126 -1.859 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.726 -2.164 0.097 1.00 0.00 H new ATOM 1886 N ILE A 116 119.007 -6.426 -0.505 1.00 0.00 N ATOM 1887 CA ILE A 116 118.835 -7.885 -0.760 1.00 0.00 C ATOM 1888 C ILE A 116 118.707 -8.120 -2.266 1.00 0.00 C ATOM 1889 O ILE A 116 119.551 -8.740 -2.881 1.00 0.00 O ATOM 1890 CB ILE A 116 117.571 -8.390 -0.062 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.471 -7.768 1.330 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.634 -9.913 0.067 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.200 -8.266 2.021 1.00 0.00 C ATOM 0 H ILE A 116 118.188 -5.851 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 116 119.700 -8.423 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 116 116.697 -8.108 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.347 -8.033 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.454 -6.681 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.734 -10.274 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.704 -10.360 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.509 -10.193 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.128 -7.823 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.329 -7.979 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.236 -9.352 2.110 1.00 0.00 H new ATOM 1905 N GLU A 117 117.655 -7.629 -2.862 1.00 0.00 N ATOM 1906 CA GLU A 117 117.475 -7.826 -4.329 1.00 0.00 C ATOM 1907 C GLU A 117 116.603 -6.704 -4.897 1.00 0.00 C ATOM 1908 O GLU A 117 116.289 -5.745 -4.220 1.00 0.00 O ATOM 1909 CB GLU A 117 116.800 -9.176 -4.584 1.00 0.00 C ATOM 1910 CG GLU A 117 115.716 -9.412 -3.530 1.00 0.00 C ATOM 1911 CD GLU A 117 114.780 -10.526 -4.002 1.00 0.00 C ATOM 1912 OE1 GLU A 117 114.958 -10.989 -5.117 1.00 0.00 O ATOM 1913 OE2 GLU A 117 113.904 -10.898 -3.240 1.00 0.00 O ATOM 0 H GLU A 117 116.915 -7.102 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 117 118.449 -7.808 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.362 -9.193 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 117 117.539 -9.977 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.172 -9.685 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 117 115.151 -8.495 -3.362 1.00 0.00 H new ATOM 1920 N GLU A 118 116.214 -6.817 -6.138 1.00 0.00 N ATOM 1921 CA GLU A 118 115.367 -5.756 -6.754 1.00 0.00 C ATOM 1922 C GLU A 118 115.043 -6.139 -8.200 1.00 0.00 C ATOM 1923 O GLU A 118 115.388 -7.210 -8.659 1.00 0.00 O ATOM 1924 CB GLU A 118 116.124 -4.427 -6.731 1.00 0.00 C ATOM 1925 CG GLU A 118 117.246 -4.458 -7.769 1.00 0.00 C ATOM 1926 CD GLU A 118 118.061 -3.166 -7.678 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.734 -2.982 -6.676 1.00 0.00 O ATOM 1928 OE2 GLU A 118 117.999 -2.383 -8.611 1.00 0.00 O ATOM 0 H GLU A 118 116.446 -7.598 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 118 114.439 -5.655 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.441 -3.604 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.538 -4.250 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.891 -5.320 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.827 -4.567 -8.770 1.00 0.00 H new ATOM 1935 N SER A 119 114.379 -5.276 -8.921 1.00 0.00 N ATOM 1936 CA SER A 119 114.033 -5.600 -10.334 1.00 0.00 C ATOM 1937 C SER A 119 114.841 -4.711 -11.285 1.00 0.00 C ATOM 1938 O SER A 119 114.938 -4.981 -12.465 1.00 0.00 O ATOM 1939 CB SER A 119 112.540 -5.362 -10.561 1.00 0.00 C ATOM 1940 OG SER A 119 111.881 -5.282 -9.303 1.00 0.00 O ATOM 0 H SER A 119 114.062 -4.363 -8.593 1.00 0.00 H new ATOM 0 HA SER A 119 114.271 -6.645 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.388 -4.441 -11.123 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.117 -6.172 -11.155 1.00 0.00 H new ATOM 0 HG SER A 119 111.110 -5.887 -9.298 1.00 0.00 H new ATOM 1946 N LEU A 120 115.424 -3.654 -10.785 1.00 0.00 N ATOM 1947 CA LEU A 120 116.224 -2.759 -11.673 1.00 0.00 C ATOM 1948 C LEU A 120 117.693 -3.187 -11.641 1.00 0.00 C ATOM 1949 O LEU A 120 118.155 -3.738 -10.663 1.00 0.00 O ATOM 1950 CB LEU A 120 116.118 -1.312 -11.187 1.00 0.00 C ATOM 1951 CG LEU A 120 114.856 -0.665 -11.759 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.622 0.686 -11.081 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.034 -0.452 -13.264 1.00 0.00 C ATOM 0 H LEU A 120 115.382 -3.372 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 120 115.837 -2.832 -12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.090 -1.286 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.999 -0.749 -11.497 1.00 0.00 H new ATOM 0 HG LEU A 120 114.000 -1.315 -11.579 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.722 1.147 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.499 0.538 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.477 1.337 -11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.136 0.009 -13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.890 0.200 -13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.203 -1.413 -13.750 1.00 0.00 H new ATOM 1965 N PRO A 121 118.383 -2.909 -12.718 1.00 0.00 N ATOM 1966 CA PRO A 121 119.811 -3.240 -12.853 1.00 0.00 C ATOM 1967 C PRO A 121 120.668 -2.206 -12.113 1.00 0.00 C ATOM 1968 O PRO A 121 121.391 -1.439 -12.717 1.00 0.00 O ATOM 1969 CB PRO A 121 120.053 -3.166 -14.363 1.00 0.00 C ATOM 1970 CG PRO A 121 118.938 -2.261 -14.941 1.00 0.00 C ATOM 1971 CD PRO A 121 117.802 -2.242 -13.901 1.00 0.00 C ATOM 0 HA PRO A 121 120.070 -4.211 -12.431 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.039 -2.753 -14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.018 -4.159 -14.811 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.313 -1.254 -15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.582 -2.647 -15.896 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.490 -1.223 -13.671 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.921 -2.771 -14.264 1.00 0.00 H new ATOM 1979 N GLY A 122 120.592 -2.179 -10.809 1.00 0.00 N ATOM 1980 CA GLY A 122 121.401 -1.193 -10.036 1.00 0.00 C ATOM 1981 C GLY A 122 120.471 -0.295 -9.218 1.00 0.00 C ATOM 1982 O GLY A 122 120.907 0.454 -8.365 1.00 0.00 O ATOM 0 H GLY A 122 120.006 -2.796 -10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.094 -1.714 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.002 -0.588 -10.715 1.00 0.00 H new ATOM 1986 N GLY A 123 119.192 -0.362 -9.469 1.00 0.00 N ATOM 1987 CA GLY A 123 118.237 0.489 -8.703 1.00 0.00 C ATOM 1988 C GLY A 123 117.564 1.485 -9.650 1.00 0.00 C ATOM 1989 O GLY A 123 117.358 1.208 -10.815 1.00 0.00 O ATOM 0 H GLY A 123 118.767 -0.968 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.485 -0.135 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.764 1.023 -7.912 1.00 0.00 H new ATOM 1993 N LEU A 124 117.216 2.645 -9.159 1.00 0.00 N ATOM 1994 CA LEU A 124 116.555 3.656 -10.032 1.00 0.00 C ATOM 1995 C LEU A 124 117.495 4.843 -10.252 1.00 0.00 C ATOM 1996 O LEU A 124 118.382 5.100 -9.464 1.00 0.00 O ATOM 1997 CB LEU A 124 115.274 4.153 -9.363 1.00 0.00 C ATOM 1998 CG LEU A 124 114.057 3.630 -10.127 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.159 2.839 -9.178 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.273 4.810 -10.703 1.00 0.00 C ATOM 0 H LEU A 124 117.361 2.935 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 124 116.316 3.195 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.238 3.815 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.262 5.243 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 124 114.389 2.981 -10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.292 2.467 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.717 1.998 -8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.827 3.487 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.405 4.439 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.942 5.458 -9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.912 5.376 -11.381 1.00 0.00 H new