USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 862 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 94 THR OG1 : rot -80:sc= -1.16! USER MOD Set 1.2: A 96 TYR OH : rot 127:sc= 0.67 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= -7.23! (180deg=-12.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.167 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -27:sc= -4.74! USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.847! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.176) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.33) USER MOD Single : A 45 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -122:sc= 0.534! USER MOD Single : A 61 HIS : no HE2:sc=-0.00802 K(o=-0.008,f=-6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0349 K(o=-0.035,f=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.032 (180deg=-0.465) USER MOD Single : A 74 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 76 ASN : amide:sc= -4.59! C(o=-4.6!,f=-22!) USER MOD Single : A 79 ASN : amide:sc= -3.41! C(o=-3.4!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= -0.234 (180deg=-0.882) USER MOD Single : A 82 LYS NZ :NH3+ 147:sc= -0.335 (180deg=-1.56!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.263 K(o=-0.26,f=-3.3!) USER MOD Single : A 93 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6!) USER MOD Single : A 97 SER OG : rot -140:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= 0.24 (180deg=-0.0776!) USER MOD Single : A 117 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 117.012 12.477 -4.724 1.00 0.00 N ATOM 19 CA LYS A 2 116.679 11.031 -4.582 1.00 0.00 C ATOM 20 C LYS A 2 116.726 10.647 -3.101 1.00 0.00 C ATOM 21 O LYS A 2 117.551 11.126 -2.351 1.00 0.00 O ATOM 22 CB LYS A 2 117.691 10.195 -5.370 1.00 0.00 C ATOM 23 CG LYS A 2 117.653 10.600 -6.847 1.00 0.00 C ATOM 24 CD LYS A 2 116.307 10.203 -7.459 1.00 0.00 C ATOM 25 CE LYS A 2 116.438 10.130 -8.982 1.00 0.00 C ATOM 26 NZ LYS A 2 116.919 8.775 -9.374 1.00 0.00 N ATOM 0 HA LYS A 2 115.679 10.842 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.693 10.344 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.460 9.135 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.803 11.675 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.466 10.115 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 2 115.987 9.239 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.542 10.929 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 2 115.476 10.336 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.134 10.891 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 117.008 8.724 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 117.846 8.596 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.239 8.058 -9.050 1.00 0.00 H new ATOM 40 N VAL A 3 115.836 9.792 -2.673 1.00 0.00 N ATOM 41 CA VAL A 3 115.814 9.385 -1.240 1.00 0.00 C ATOM 42 C VAL A 3 116.873 8.309 -0.993 1.00 0.00 C ATOM 43 O VAL A 3 116.981 7.351 -1.732 1.00 0.00 O ATOM 44 CB VAL A 3 114.435 8.820 -0.899 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.363 8.487 0.597 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.360 9.853 -1.244 1.00 0.00 C ATOM 0 H VAL A 3 115.122 9.357 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 3 116.025 10.252 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 3 114.267 7.911 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.378 8.085 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.125 7.747 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.535 9.392 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.377 9.450 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.532 10.763 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.405 10.083 -2.309 1.00 0.00 H new ATOM 56 N LYS A 4 117.649 8.446 0.053 1.00 0.00 N ATOM 57 CA LYS A 4 118.678 7.411 0.341 1.00 0.00 C ATOM 58 C LYS A 4 117.989 6.170 0.905 1.00 0.00 C ATOM 59 O LYS A 4 117.250 6.239 1.875 1.00 0.00 O ATOM 60 CB LYS A 4 119.685 7.943 1.365 1.00 0.00 C ATOM 61 CG LYS A 4 120.751 8.786 0.660 1.00 0.00 C ATOM 62 CD LYS A 4 120.103 10.012 0.016 1.00 0.00 C ATOM 63 CE LYS A 4 121.181 10.878 -0.635 1.00 0.00 C ATOM 64 NZ LYS A 4 122.226 11.209 0.372 1.00 0.00 N ATOM 0 H LYS A 4 117.613 9.224 0.712 1.00 0.00 H new ATOM 0 HA LYS A 4 119.207 7.160 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.171 8.544 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.155 7.112 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 4 121.511 9.099 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.255 8.189 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 4 119.373 9.700 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 4 119.564 10.588 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.627 10.350 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 4 120.739 11.793 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 122.416 12.231 0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 121.894 10.937 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 123.099 10.690 0.149 1.00 0.00 H new ATOM 78 N GLY A 5 118.214 5.034 0.307 1.00 0.00 N ATOM 79 CA GLY A 5 117.563 3.798 0.813 1.00 0.00 C ATOM 80 C GLY A 5 117.857 2.638 -0.131 1.00 0.00 C ATOM 81 O GLY A 5 118.514 2.798 -1.140 1.00 0.00 O ATOM 0 H GLY A 5 118.817 4.910 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.928 3.567 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.487 3.950 0.894 1.00 0.00 H new ATOM 85 N CYS A 6 117.368 1.470 0.186 1.00 0.00 N ATOM 86 CA CYS A 6 117.609 0.289 -0.690 1.00 0.00 C ATOM 87 C CYS A 6 116.280 -0.200 -1.254 1.00 0.00 C ATOM 88 O CYS A 6 115.302 -0.358 -0.540 1.00 0.00 O ATOM 89 CB CYS A 6 118.252 -0.825 0.132 1.00 0.00 C ATOM 90 SG CYS A 6 119.139 -1.960 -0.962 1.00 0.00 S ATOM 0 H CYS A 6 116.809 1.283 1.018 1.00 0.00 H new ATOM 0 HA CYS A 6 118.272 0.568 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.939 -0.399 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.487 -1.366 0.689 1.00 0.00 H new ATOM 95 N ASP A 7 116.233 -0.436 -2.537 1.00 0.00 N ATOM 96 CA ASP A 7 114.971 -0.924 -3.164 1.00 0.00 C ATOM 97 C ASP A 7 115.133 -2.394 -3.556 1.00 0.00 C ATOM 98 O ASP A 7 115.853 -2.722 -4.479 1.00 0.00 O ATOM 99 CB ASP A 7 114.670 -0.093 -4.411 1.00 0.00 C ATOM 100 CG ASP A 7 113.227 -0.344 -4.853 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.335 -0.137 -4.047 1.00 0.00 O ATOM 102 OD2 ASP A 7 113.039 -0.736 -5.993 1.00 0.00 O ATOM 0 H ASP A 7 117.016 -0.312 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 7 114.149 -0.826 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.818 0.966 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.359 -0.358 -5.213 1.00 0.00 H new ATOM 107 N PHE A 8 114.465 -3.281 -2.871 1.00 0.00 N ATOM 108 CA PHE A 8 114.574 -4.726 -3.214 1.00 0.00 C ATOM 109 C PHE A 8 113.498 -5.072 -4.246 1.00 0.00 C ATOM 110 O PHE A 8 113.367 -6.204 -4.672 1.00 0.00 O ATOM 111 CB PHE A 8 114.361 -5.572 -1.956 1.00 0.00 C ATOM 112 CG PHE A 8 115.489 -5.333 -0.981 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.732 -5.941 -1.185 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.289 -4.505 0.130 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.777 -5.721 -0.277 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.332 -4.287 1.037 1.00 0.00 C ATOM 117 CZ PHE A 8 117.576 -4.895 0.834 1.00 0.00 C ATOM 0 H PHE A 8 113.848 -3.067 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 8 115.563 -4.933 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.408 -5.317 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.315 -6.628 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.887 -6.580 -2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.330 -4.034 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.737 -6.189 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.177 -3.649 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.380 -4.727 1.535 1.00 0.00 H new ATOM 127 N THR A 9 112.714 -4.103 -4.630 1.00 0.00 N ATOM 128 CA THR A 9 111.626 -4.366 -5.616 1.00 0.00 C ATOM 129 C THR A 9 112.036 -3.880 -7.010 1.00 0.00 C ATOM 130 O THR A 9 111.451 -4.266 -8.001 1.00 0.00 O ATOM 131 CB THR A 9 110.364 -3.622 -5.172 1.00 0.00 C ATOM 132 OG1 THR A 9 110.068 -3.960 -3.824 1.00 0.00 O ATOM 133 CG2 THR A 9 109.192 -4.018 -6.070 1.00 0.00 C ATOM 0 H THR A 9 112.779 -3.139 -4.304 1.00 0.00 H new ATOM 0 HA THR A 9 111.437 -5.439 -5.661 1.00 0.00 H new ATOM 0 HB THR A 9 110.529 -2.547 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.261 -3.484 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.295 -3.487 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.421 -3.757 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.024 -5.092 -5.996 1.00 0.00 H new ATOM 141 N THR A 10 113.024 -3.031 -7.103 1.00 0.00 N ATOM 142 CA THR A 10 113.434 -2.533 -8.447 1.00 0.00 C ATOM 143 C THR A 10 114.887 -2.047 -8.412 1.00 0.00 C ATOM 144 O THR A 10 115.251 -1.203 -7.617 1.00 0.00 O ATOM 145 CB THR A 10 112.523 -1.373 -8.856 1.00 0.00 C ATOM 146 OG1 THR A 10 111.173 -1.712 -8.570 1.00 0.00 O ATOM 147 CG2 THR A 10 112.674 -1.100 -10.354 1.00 0.00 C ATOM 0 H THR A 10 113.559 -2.664 -6.316 1.00 0.00 H new ATOM 0 HA THR A 10 113.349 -3.346 -9.168 1.00 0.00 H new ATOM 0 HB THR A 10 112.803 -0.479 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.044 -2.675 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.024 -0.274 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.709 -0.840 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.397 -1.992 -10.916 1.00 0.00 H new ATOM 155 N SER A 11 115.714 -2.567 -9.279 1.00 0.00 N ATOM 156 CA SER A 11 117.136 -2.120 -9.301 1.00 0.00 C ATOM 157 C SER A 11 117.191 -0.660 -9.750 1.00 0.00 C ATOM 158 O SER A 11 118.115 0.064 -9.435 1.00 0.00 O ATOM 159 CB SER A 11 117.930 -2.988 -10.280 1.00 0.00 C ATOM 160 OG SER A 11 117.355 -2.878 -11.575 1.00 0.00 O ATOM 0 H SER A 11 115.468 -3.277 -9.969 1.00 0.00 H new ATOM 0 HA SER A 11 117.569 -2.216 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.972 -2.670 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.921 -4.028 -9.952 1.00 0.00 H new ATOM 0 HG SER A 11 117.861 -3.431 -12.206 1.00 0.00 H new ATOM 166 N GLU A 12 116.200 -0.226 -10.479 1.00 0.00 N ATOM 167 CA GLU A 12 116.169 1.188 -10.952 1.00 0.00 C ATOM 168 C GLU A 12 114.979 1.898 -10.303 1.00 0.00 C ATOM 169 O GLU A 12 113.969 2.140 -10.932 1.00 0.00 O ATOM 170 CB GLU A 12 116.007 1.212 -12.472 1.00 0.00 C ATOM 171 CG GLU A 12 117.244 0.598 -13.130 1.00 0.00 C ATOM 172 CD GLU A 12 118.470 1.453 -12.804 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.286 2.601 -12.434 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.572 0.944 -12.928 1.00 0.00 O ATOM 0 H GLU A 12 115.404 -0.794 -10.770 1.00 0.00 H new ATOM 0 HA GLU A 12 117.097 1.692 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.115 0.656 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.870 2.237 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.392 -0.421 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.104 0.540 -14.209 1.00 0.00 H new ATOM 181 N SER A 13 115.087 2.217 -9.044 1.00 0.00 N ATOM 182 CA SER A 13 113.954 2.892 -8.350 1.00 0.00 C ATOM 183 C SER A 13 113.819 4.335 -8.831 1.00 0.00 C ATOM 184 O SER A 13 114.778 4.966 -9.230 1.00 0.00 O ATOM 185 CB SER A 13 114.209 2.890 -6.843 1.00 0.00 C ATOM 186 OG SER A 13 113.962 1.588 -6.328 1.00 0.00 O ATOM 0 H SER A 13 115.909 2.040 -8.466 1.00 0.00 H new ATOM 0 HA SER A 13 113.034 2.353 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.237 3.187 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.562 3.617 -6.352 1.00 0.00 H new ATOM 0 HG SER A 13 113.304 1.132 -6.893 1.00 0.00 H new ATOM 192 N THR A 14 112.630 4.866 -8.774 1.00 0.00 N ATOM 193 CA THR A 14 112.416 6.275 -9.202 1.00 0.00 C ATOM 194 C THR A 14 112.345 7.152 -7.953 1.00 0.00 C ATOM 195 O THR A 14 112.181 8.354 -8.031 1.00 0.00 O ATOM 196 CB THR A 14 111.098 6.383 -9.975 1.00 0.00 C ATOM 197 OG1 THR A 14 110.662 7.734 -9.978 1.00 0.00 O ATOM 198 CG2 THR A 14 110.039 5.506 -9.303 1.00 0.00 C ATOM 0 H THR A 14 111.794 4.382 -8.448 1.00 0.00 H new ATOM 0 HA THR A 14 113.234 6.599 -9.846 1.00 0.00 H new ATOM 0 HB THR A 14 111.249 6.047 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.330 8.294 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.101 5.583 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.374 4.469 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.887 5.841 -8.277 1.00 0.00 H new ATOM 206 N ILE A 15 112.482 6.552 -6.800 1.00 0.00 N ATOM 207 CA ILE A 15 112.434 7.330 -5.528 1.00 0.00 C ATOM 208 C ILE A 15 113.694 7.069 -4.698 1.00 0.00 C ATOM 209 O ILE A 15 114.065 7.871 -3.865 1.00 0.00 O ATOM 210 CB ILE A 15 111.192 6.921 -4.735 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.031 5.401 -4.792 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.956 7.586 -5.342 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.998 4.957 -3.756 1.00 0.00 C ATOM 0 H ILE A 15 112.626 5.549 -6.685 1.00 0.00 H new ATOM 0 HA ILE A 15 112.386 8.394 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 15 111.302 7.238 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.715 5.096 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 15 111.988 4.916 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.071 7.294 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.070 8.669 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.845 7.269 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.884 3.874 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.332 5.249 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.040 5.431 -3.971 1.00 0.00 H new ATOM 225 N PHE A 16 114.347 5.949 -4.903 1.00 0.00 N ATOM 226 CA PHE A 16 115.573 5.641 -4.103 1.00 0.00 C ATOM 227 C PHE A 16 116.808 5.679 -5.006 1.00 0.00 C ATOM 228 O PHE A 16 116.772 5.266 -6.147 1.00 0.00 O ATOM 229 CB PHE A 16 115.447 4.249 -3.476 1.00 0.00 C ATOM 230 CG PHE A 16 114.316 4.245 -2.473 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.460 4.911 -1.249 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.123 3.576 -2.769 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.411 4.906 -0.322 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.074 3.572 -1.843 1.00 0.00 C ATOM 235 CZ PHE A 16 112.218 4.237 -0.619 1.00 0.00 C ATOM 0 H PHE A 16 114.085 5.239 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 16 115.677 6.387 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.262 3.505 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.381 3.974 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.380 5.428 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.012 3.063 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.522 5.418 0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.153 3.056 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.408 4.234 0.096 1.00 0.00 H new ATOM 245 N SER A 17 117.892 6.200 -4.502 1.00 0.00 N ATOM 246 CA SER A 17 119.138 6.297 -5.318 1.00 0.00 C ATOM 247 C SER A 17 119.780 4.920 -5.507 1.00 0.00 C ATOM 248 O SER A 17 120.601 4.736 -6.382 1.00 0.00 O ATOM 249 CB SER A 17 120.131 7.217 -4.613 1.00 0.00 C ATOM 250 OG SER A 17 120.419 6.694 -3.323 1.00 0.00 O ATOM 0 H SER A 17 117.970 6.566 -3.553 1.00 0.00 H new ATOM 0 HA SER A 17 118.878 6.697 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 17 121.047 7.299 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 17 119.716 8.221 -4.527 1.00 0.00 H new ATOM 0 HG SER A 17 121.058 7.281 -2.867 1.00 0.00 H new ATOM 256 N LYS A 18 119.435 3.956 -4.693 1.00 0.00 N ATOM 257 CA LYS A 18 120.060 2.604 -4.839 1.00 0.00 C ATOM 258 C LYS A 18 118.993 1.505 -4.818 1.00 0.00 C ATOM 259 O LYS A 18 118.017 1.571 -4.094 1.00 0.00 O ATOM 260 CB LYS A 18 121.043 2.380 -3.688 1.00 0.00 C ATOM 261 CG LYS A 18 122.236 3.327 -3.837 1.00 0.00 C ATOM 262 CD LYS A 18 123.220 3.088 -2.690 1.00 0.00 C ATOM 263 CE LYS A 18 124.428 4.014 -2.850 1.00 0.00 C ATOM 264 NZ LYS A 18 125.383 3.779 -1.730 1.00 0.00 N ATOM 0 H LYS A 18 118.754 4.043 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 18 120.582 2.560 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.546 2.553 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.386 1.345 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 122.729 3.161 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 18 121.896 4.363 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.731 3.273 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.544 2.047 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.918 3.829 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.104 5.055 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.275 4.278 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 124.973 4.135 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.569 2.760 -1.640 1.00 0.00 H new ATOM 278 N GLY A 19 119.182 0.482 -5.605 1.00 0.00 N ATOM 279 CA GLY A 19 118.192 -0.631 -5.632 1.00 0.00 C ATOM 280 C GLY A 19 118.891 -1.930 -6.043 1.00 0.00 C ATOM 281 O GLY A 19 119.955 -1.912 -6.628 1.00 0.00 O ATOM 0 H GLY A 19 119.980 0.369 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.734 -0.748 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.389 -0.401 -6.333 1.00 0.00 H new ATOM 285 N TYR A 20 118.299 -3.055 -5.739 1.00 0.00 N ATOM 286 CA TYR A 20 118.920 -4.364 -6.107 1.00 0.00 C ATOM 287 C TYR A 20 117.992 -5.123 -7.056 1.00 0.00 C ATOM 288 O TYR A 20 116.798 -4.907 -7.078 1.00 0.00 O ATOM 289 CB TYR A 20 119.138 -5.200 -4.845 1.00 0.00 C ATOM 290 CG TYR A 20 120.363 -4.709 -4.110 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.323 -3.500 -3.407 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.538 -5.472 -4.125 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.460 -3.053 -2.721 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.672 -5.024 -3.439 1.00 0.00 C ATOM 295 CZ TYR A 20 122.633 -3.814 -2.737 1.00 0.00 C ATOM 296 OH TYR A 20 123.751 -3.373 -2.059 1.00 0.00 O ATOM 0 H TYR A 20 117.407 -3.125 -5.249 1.00 0.00 H new ATOM 0 HA TYR A 20 119.877 -4.182 -6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.263 -5.133 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.259 -6.250 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.417 -2.912 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.568 -6.406 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.430 -2.119 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.578 -5.612 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 20 124.478 -4.020 -2.172 1.00 0.00 H new ATOM 527 N ILE A 36 120.851 -10.499 2.564 1.00 0.00 N ATOM 528 CA ILE A 36 121.174 -9.315 1.721 1.00 0.00 C ATOM 529 C ILE A 36 121.254 -8.087 2.623 1.00 0.00 C ATOM 530 O ILE A 36 120.331 -7.784 3.347 1.00 0.00 O ATOM 531 CB ILE A 36 120.071 -9.107 0.680 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.717 -10.452 0.034 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.565 -8.141 -0.399 1.00 0.00 C ATOM 534 CD1 ILE A 36 120.953 -11.047 -0.642 1.00 0.00 C ATOM 0 HA ILE A 36 122.123 -9.471 1.209 1.00 0.00 H new ATOM 0 HB ILE A 36 119.188 -8.692 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.339 -11.140 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 36 118.922 -10.315 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.780 -7.992 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.819 -7.184 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.448 -8.557 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.694 -12.002 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.312 -10.363 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.736 -11.201 0.101 1.00 0.00 H new ATOM 546 N VAL A 37 122.354 -7.381 2.594 1.00 0.00 N ATOM 547 CA VAL A 37 122.487 -6.175 3.463 1.00 0.00 C ATOM 548 C VAL A 37 122.758 -4.939 2.610 1.00 0.00 C ATOM 549 O VAL A 37 123.689 -4.897 1.830 1.00 0.00 O ATOM 550 CB VAL A 37 123.651 -6.378 4.432 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.964 -5.056 5.135 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.268 -7.431 5.476 1.00 0.00 C ATOM 0 H VAL A 37 123.163 -7.587 2.008 1.00 0.00 H new ATOM 0 HA VAL A 37 121.559 -6.032 4.017 1.00 0.00 H new ATOM 0 HB VAL A 37 124.529 -6.715 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.794 -5.199 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.235 -4.305 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.086 -4.721 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.098 -7.576 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.391 -7.094 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.043 -8.373 4.977 1.00 0.00 H new ATOM 562 N CYS A 38 121.966 -3.915 2.777 1.00 0.00 N ATOM 563 CA CYS A 38 122.201 -2.666 2.001 1.00 0.00 C ATOM 564 C CYS A 38 122.878 -1.651 2.921 1.00 0.00 C ATOM 565 O CYS A 38 122.236 -1.011 3.731 1.00 0.00 O ATOM 566 CB CYS A 38 120.863 -2.095 1.524 1.00 0.00 C ATOM 567 SG CYS A 38 120.123 -3.200 0.296 1.00 0.00 S ATOM 0 H CYS A 38 121.170 -3.890 3.414 1.00 0.00 H new ATOM 0 HA CYS A 38 122.829 -2.878 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.187 -1.974 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 38 121.013 -1.106 1.092 1.00 0.00 H new ATOM 572 N THR A 39 124.170 -1.493 2.806 1.00 0.00 N ATOM 573 CA THR A 39 124.876 -0.522 3.683 1.00 0.00 C ATOM 574 C THR A 39 124.991 0.822 2.972 1.00 0.00 C ATOM 575 O THR A 39 125.602 0.936 1.927 1.00 0.00 O ATOM 576 CB THR A 39 126.275 -1.056 4.008 1.00 0.00 C ATOM 577 OG1 THR A 39 126.162 -2.302 4.683 1.00 0.00 O ATOM 578 CG2 THR A 39 127.011 -0.056 4.903 1.00 0.00 C ATOM 0 H THR A 39 124.763 -1.994 2.144 1.00 0.00 H new ATOM 0 HA THR A 39 124.314 -0.390 4.607 1.00 0.00 H new ATOM 0 HB THR A 39 126.834 -1.193 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.057 -2.645 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.006 -0.437 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.099 0.899 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.453 0.083 5.829 1.00 0.00 H new ATOM 586 N VAL A 40 124.425 1.848 3.546 1.00 0.00 N ATOM 587 CA VAL A 40 124.513 3.198 2.915 1.00 0.00 C ATOM 588 C VAL A 40 124.685 4.255 4.008 1.00 0.00 C ATOM 589 O VAL A 40 124.263 4.070 5.132 1.00 0.00 O ATOM 590 CB VAL A 40 123.230 3.477 2.126 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.116 2.484 0.966 1.00 0.00 C ATOM 592 CG2 VAL A 40 122.019 3.319 3.047 1.00 0.00 C ATOM 0 H VAL A 40 123.906 1.811 4.423 1.00 0.00 H new ATOM 0 HA VAL A 40 125.367 3.232 2.238 1.00 0.00 H new ATOM 0 HB VAL A 40 123.261 4.494 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.203 2.683 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.978 2.593 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.086 1.468 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.106 3.518 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.990 2.302 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.097 4.024 3.874 1.00 0.00 H new ATOM 602 N LYS A 41 125.283 5.370 3.687 1.00 0.00 N ATOM 603 CA LYS A 41 125.460 6.435 4.716 1.00 0.00 C ATOM 604 C LYS A 41 124.315 7.440 4.599 1.00 0.00 C ATOM 605 O LYS A 41 123.963 7.872 3.519 1.00 0.00 O ATOM 606 CB LYS A 41 126.791 7.149 4.486 1.00 0.00 C ATOM 607 CG LYS A 41 127.928 6.115 4.476 1.00 0.00 C ATOM 608 CD LYS A 41 128.272 5.748 3.032 1.00 0.00 C ATOM 609 CE LYS A 41 129.233 6.789 2.455 1.00 0.00 C ATOM 610 NZ LYS A 41 129.615 6.397 1.070 1.00 0.00 N ATOM 0 H LYS A 41 125.655 5.589 2.763 1.00 0.00 H new ATOM 0 HA LYS A 41 125.457 5.989 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.768 7.690 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.962 7.886 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 41 128.806 6.520 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.628 5.224 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 41 128.727 4.758 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 41 127.364 5.703 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 41 128.761 7.772 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.122 6.866 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 130.268 7.104 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 130.081 5.467 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 128.763 6.345 0.476 1.00 0.00 H new ATOM 624 N ALA A 42 123.727 7.808 5.704 1.00 0.00 N ATOM 625 CA ALA A 42 122.594 8.778 5.658 1.00 0.00 C ATOM 626 C ALA A 42 123.039 10.121 6.244 1.00 0.00 C ATOM 627 O ALA A 42 123.495 10.200 7.367 1.00 0.00 O ATOM 628 CB ALA A 42 121.427 8.227 6.477 1.00 0.00 C ATOM 0 H ALA A 42 123.981 7.480 6.636 1.00 0.00 H new ATOM 0 HA ALA A 42 122.282 8.923 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.596 8.932 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.108 7.272 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.743 8.083 7.510 1.00 0.00 H new ATOM 634 N HIS A 43 122.903 11.177 5.491 1.00 0.00 N ATOM 635 CA HIS A 43 123.309 12.517 6.002 1.00 0.00 C ATOM 636 C HIS A 43 122.144 13.146 6.773 1.00 0.00 C ATOM 637 O HIS A 43 120.989 12.914 6.474 1.00 0.00 O ATOM 638 CB HIS A 43 123.688 13.419 4.826 1.00 0.00 C ATOM 639 CG HIS A 43 124.563 14.540 5.315 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.736 14.309 6.022 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.455 15.904 5.205 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.280 15.506 6.307 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.538 16.507 5.832 1.00 0.00 N ATOM 0 H HIS A 43 122.528 11.170 4.543 1.00 0.00 H new ATOM 0 HA HIS A 43 124.166 12.407 6.666 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.211 12.841 4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.789 13.822 4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.652 16.428 4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.203 15.640 6.852 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.726 17.506 5.912 1.00 0.00 H new ATOM 652 N ALA A 44 122.439 13.930 7.772 1.00 0.00 N ATOM 653 CA ALA A 44 121.353 14.564 8.576 1.00 0.00 C ATOM 654 C ALA A 44 120.344 15.241 7.642 1.00 0.00 C ATOM 655 O ALA A 44 119.162 15.283 7.919 1.00 0.00 O ATOM 656 CB ALA A 44 121.971 15.612 9.518 1.00 0.00 C ATOM 0 H ALA A 44 123.387 14.161 8.068 1.00 0.00 H new ATOM 0 HA ALA A 44 120.839 13.802 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.183 16.080 10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.685 15.127 10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.483 16.373 8.929 1.00 0.00 H new ATOM 662 N ASN A 45 120.802 15.780 6.547 1.00 0.00 N ATOM 663 CA ASN A 45 119.867 16.458 5.607 1.00 0.00 C ATOM 664 C ASN A 45 119.343 15.442 4.589 1.00 0.00 C ATOM 665 O ASN A 45 118.354 15.670 3.921 1.00 0.00 O ATOM 666 CB ASN A 45 120.607 17.576 4.869 1.00 0.00 C ATOM 667 CG ASN A 45 120.917 18.715 5.842 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.299 18.830 6.880 1.00 0.00 O ATOM 669 ND2 ASN A 45 121.859 19.571 5.546 1.00 0.00 N ATOM 0 H ASN A 45 121.782 15.780 6.263 1.00 0.00 H new ATOM 0 HA ASN A 45 119.032 16.880 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.531 17.191 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 45 119.999 17.945 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.074 20.335 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.379 19.475 4.674 1.00 0.00 H new ATOM 676 N ASP A 46 120.010 14.328 4.459 1.00 0.00 N ATOM 677 CA ASP A 46 119.561 13.302 3.475 1.00 0.00 C ATOM 678 C ASP A 46 118.336 12.559 4.013 1.00 0.00 C ATOM 679 O ASP A 46 118.285 12.184 5.169 1.00 0.00 O ATOM 680 CB ASP A 46 120.693 12.303 3.243 1.00 0.00 C ATOM 681 CG ASP A 46 121.724 12.900 2.284 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.379 13.834 1.579 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.846 12.419 2.276 1.00 0.00 O ATOM 0 H ASP A 46 120.845 14.084 4.991 1.00 0.00 H new ATOM 0 HA ASP A 46 119.298 13.794 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.168 12.051 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.294 11.376 2.831 1.00 0.00 H new ATOM 688 N LEU A 47 117.354 12.331 3.184 1.00 0.00 N ATOM 689 CA LEU A 47 116.142 11.599 3.649 1.00 0.00 C ATOM 690 C LEU A 47 116.475 10.109 3.719 1.00 0.00 C ATOM 691 O LEU A 47 117.237 9.602 2.912 1.00 0.00 O ATOM 692 CB LEU A 47 114.991 11.816 2.664 1.00 0.00 C ATOM 693 CG LEU A 47 114.720 13.314 2.504 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.587 13.519 1.498 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.314 13.911 3.854 1.00 0.00 C ATOM 0 H LEU A 47 117.339 12.620 2.206 1.00 0.00 H new ATOM 0 HA LEU A 47 115.841 11.968 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.240 11.377 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.094 11.311 3.022 1.00 0.00 H new ATOM 0 HG LEU A 47 115.623 13.809 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.392 14.585 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.874 13.096 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.686 13.022 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.122 14.978 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.412 13.417 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.119 13.764 4.574 1.00 0.00 H new ATOM 707 N ILE A 48 115.918 9.397 4.670 1.00 0.00 N ATOM 708 CA ILE A 48 116.216 7.937 4.777 1.00 0.00 C ATOM 709 C ILE A 48 114.924 7.125 4.668 1.00 0.00 C ATOM 710 O ILE A 48 113.881 7.518 5.153 1.00 0.00 O ATOM 711 CB ILE A 48 116.873 7.658 6.132 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.038 8.292 7.249 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.281 8.251 6.153 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.572 7.839 8.610 1.00 0.00 C ATOM 0 H ILE A 48 115.274 9.763 5.372 1.00 0.00 H new ATOM 0 HA ILE A 48 116.887 7.649 3.968 1.00 0.00 H new ATOM 0 HB ILE A 48 116.931 6.581 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.078 9.379 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.992 8.004 7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.746 8.051 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.878 7.798 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.225 9.328 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.977 8.291 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.509 6.753 8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.612 8.150 8.715 1.00 0.00 H new ATOM 726 N GLY A 49 114.997 5.989 4.029 1.00 0.00 N ATOM 727 CA GLY A 49 113.779 5.135 3.880 1.00 0.00 C ATOM 728 C GLY A 49 114.135 3.880 3.079 1.00 0.00 C ATOM 729 O GLY A 49 115.282 3.645 2.764 1.00 0.00 O ATOM 0 H GLY A 49 115.845 5.614 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.394 4.857 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.990 5.692 3.374 1.00 0.00 H new ATOM 733 N PHE A 50 113.166 3.072 2.748 1.00 0.00 N ATOM 734 CA PHE A 50 113.464 1.839 1.962 1.00 0.00 C ATOM 735 C PHE A 50 112.157 1.189 1.500 1.00 0.00 C ATOM 736 O PHE A 50 111.080 1.562 1.927 1.00 0.00 O ATOM 737 CB PHE A 50 114.252 0.851 2.823 1.00 0.00 C ATOM 738 CG PHE A 50 113.386 0.359 3.956 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.371 1.045 5.176 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.600 -0.787 3.786 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.569 0.584 6.227 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.798 -1.248 4.836 1.00 0.00 C ATOM 743 CZ PHE A 50 111.783 -0.562 6.058 1.00 0.00 C ATOM 0 H PHE A 50 112.184 3.210 2.986 1.00 0.00 H new ATOM 0 HA PHE A 50 114.059 2.109 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.585 0.010 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.147 1.332 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.977 1.929 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.613 -1.315 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.557 1.113 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.191 -2.132 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.165 -0.917 6.869 1.00 0.00 H new ATOM 753 N LYS A 51 112.243 0.218 0.627 1.00 0.00 N ATOM 754 CA LYS A 51 111.002 -0.454 0.139 1.00 0.00 C ATOM 755 C LYS A 51 111.283 -1.932 -0.129 1.00 0.00 C ATOM 756 O LYS A 51 112.354 -2.297 -0.575 1.00 0.00 O ATOM 757 CB LYS A 51 110.534 0.223 -1.151 1.00 0.00 C ATOM 758 CG LYS A 51 109.269 -0.467 -1.666 1.00 0.00 C ATOM 759 CD LYS A 51 108.785 0.240 -2.935 1.00 0.00 C ATOM 760 CE LYS A 51 107.513 -0.437 -3.445 1.00 0.00 C ATOM 761 NZ LYS A 51 107.023 0.278 -4.659 1.00 0.00 N ATOM 0 H LYS A 51 113.114 -0.137 0.233 1.00 0.00 H new ATOM 0 HA LYS A 51 110.224 -0.372 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.335 1.279 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.320 0.173 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.474 -1.517 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.491 -0.441 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.590 1.292 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.560 0.205 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.714 -1.482 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.747 -0.427 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.157 -0.182 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.816 1.269 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.753 0.246 -5.399 1.00 0.00 H new ATOM 775 N CYS A 52 110.327 -2.785 0.131 1.00 0.00 N ATOM 776 CA CYS A 52 110.514 -4.244 -0.109 1.00 0.00 C ATOM 777 C CYS A 52 109.385 -4.737 -1.021 1.00 0.00 C ATOM 778 O CYS A 52 108.314 -4.165 -1.049 1.00 0.00 O ATOM 779 CB CYS A 52 110.445 -4.987 1.231 1.00 0.00 C ATOM 780 SG CYS A 52 112.004 -4.775 2.129 1.00 0.00 S ATOM 0 H CYS A 52 109.413 -2.528 0.504 1.00 0.00 H new ATOM 0 HA CYS A 52 111.481 -4.428 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.616 -4.605 1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.254 -6.046 1.061 1.00 0.00 H new ATOM 785 N PRO A 53 109.614 -5.791 -1.762 1.00 0.00 N ATOM 786 CA PRO A 53 108.588 -6.354 -2.688 1.00 0.00 C ATOM 787 C PRO A 53 107.245 -6.596 -1.986 1.00 0.00 C ATOM 788 O PRO A 53 107.190 -6.949 -0.825 1.00 0.00 O ATOM 789 CB PRO A 53 109.203 -7.680 -3.177 1.00 0.00 C ATOM 790 CG PRO A 53 110.400 -7.924 -2.312 1.00 0.00 C ATOM 791 CD PRO A 53 110.859 -6.562 -1.809 1.00 0.00 C ATOM 0 HA PRO A 53 108.361 -5.667 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.487 -8.497 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.487 -7.614 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.148 -8.580 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.192 -8.416 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.328 -6.631 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.589 -6.109 -2.480 1.00 0.00 H new ATOM 799 N SER A 54 106.166 -6.395 -2.687 1.00 0.00 N ATOM 800 CA SER A 54 104.818 -6.593 -2.077 1.00 0.00 C ATOM 801 C SER A 54 104.571 -8.076 -1.783 1.00 0.00 C ATOM 802 O SER A 54 103.648 -8.428 -1.076 1.00 0.00 O ATOM 803 CB SER A 54 103.749 -6.085 -3.042 1.00 0.00 C ATOM 804 OG SER A 54 102.471 -6.200 -2.428 1.00 0.00 O ATOM 0 H SER A 54 106.157 -6.100 -3.663 1.00 0.00 H new ATOM 0 HA SER A 54 104.772 -6.038 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.946 -5.046 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.774 -6.661 -3.967 1.00 0.00 H new ATOM 0 HG SER A 54 101.782 -5.874 -3.043 1.00 0.00 H new ATOM 810 N ASN A 55 105.373 -8.952 -2.323 1.00 0.00 N ATOM 811 CA ASN A 55 105.154 -10.407 -2.075 1.00 0.00 C ATOM 812 C ASN A 55 105.928 -10.849 -0.833 1.00 0.00 C ATOM 813 O ASN A 55 105.909 -12.002 -0.464 1.00 0.00 O ATOM 814 CB ASN A 55 105.649 -11.206 -3.283 1.00 0.00 C ATOM 815 CG ASN A 55 104.832 -10.826 -4.518 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.617 -10.870 -4.496 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.452 -10.450 -5.602 1.00 0.00 N ATOM 0 H ASN A 55 106.167 -8.726 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 55 104.090 -10.586 -1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.706 -11.004 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.557 -12.274 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.918 -10.193 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.471 -10.413 -5.620 1.00 0.00 H new ATOM 824 N TYR A 56 106.602 -9.944 -0.180 1.00 0.00 N ATOM 825 CA TYR A 56 107.376 -10.311 1.047 1.00 0.00 C ATOM 826 C TYR A 56 106.726 -9.702 2.291 1.00 0.00 C ATOM 827 O TYR A 56 105.887 -8.827 2.200 1.00 0.00 O ATOM 828 CB TYR A 56 108.809 -9.808 0.909 1.00 0.00 C ATOM 829 CG TYR A 56 109.606 -10.781 0.069 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.331 -10.922 -1.295 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.628 -11.534 0.659 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.076 -11.818 -2.071 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.373 -12.431 -0.115 1.00 0.00 C ATOM 834 CZ TYR A 56 111.097 -12.573 -1.481 1.00 0.00 C ATOM 835 OH TYR A 56 111.832 -13.456 -2.245 1.00 0.00 O ATOM 0 H TYR A 56 106.652 -8.960 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 56 107.379 -11.396 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.816 -8.821 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.265 -9.702 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.544 -10.339 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.842 -11.423 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.863 -11.927 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.160 -13.013 0.341 1.00 0.00 H new ATOM 0 HH TYR A 56 112.501 -13.898 -1.681 1.00 0.00 H new ATOM 845 N SER A 57 107.113 -10.157 3.458 1.00 0.00 N ATOM 846 CA SER A 57 106.524 -9.597 4.709 1.00 0.00 C ATOM 847 C SER A 57 107.528 -8.630 5.342 1.00 0.00 C ATOM 848 O SER A 57 108.700 -8.931 5.464 1.00 0.00 O ATOM 849 CB SER A 57 106.227 -10.734 5.685 1.00 0.00 C ATOM 850 OG SER A 57 105.633 -10.199 6.859 1.00 0.00 O ATOM 0 H SER A 57 107.809 -10.890 3.596 1.00 0.00 H new ATOM 0 HA SER A 57 105.599 -9.069 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.558 -11.460 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.146 -11.263 5.937 1.00 0.00 H new ATOM 0 HG SER A 57 106.175 -10.441 7.639 1.00 0.00 H new ATOM 856 N VAL A 58 107.088 -7.465 5.737 1.00 0.00 N ATOM 857 CA VAL A 58 108.035 -6.488 6.346 1.00 0.00 C ATOM 858 C VAL A 58 108.104 -6.688 7.864 1.00 0.00 C ATOM 859 O VAL A 58 107.124 -6.557 8.571 1.00 0.00 O ATOM 860 CB VAL A 58 107.576 -5.060 6.031 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.113 -4.979 4.576 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.418 -4.671 6.955 1.00 0.00 C ATOM 0 H VAL A 58 106.121 -7.150 5.665 1.00 0.00 H new ATOM 0 HA VAL A 58 109.028 -6.651 5.926 1.00 0.00 H new ATOM 0 HB VAL A 58 108.409 -4.375 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.787 -3.963 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.938 -5.248 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.284 -5.669 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.096 -3.655 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.586 -5.358 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.747 -4.723 7.993 1.00 0.00 H new ATOM 872 N GLU A 59 109.272 -6.980 8.363 1.00 0.00 N ATOM 873 CA GLU A 59 109.450 -7.169 9.829 1.00 0.00 C ATOM 874 C GLU A 59 110.604 -6.271 10.288 1.00 0.00 C ATOM 875 O GLU A 59 111.676 -6.312 9.718 1.00 0.00 O ATOM 876 CB GLU A 59 109.806 -8.628 10.129 1.00 0.00 C ATOM 877 CG GLU A 59 108.539 -9.487 10.156 1.00 0.00 C ATOM 878 CD GLU A 59 108.083 -9.775 8.727 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.700 -9.255 7.811 1.00 0.00 O ATOM 880 OE2 GLU A 59 107.125 -10.512 8.572 1.00 0.00 O ATOM 0 H GLU A 59 110.121 -7.097 7.810 1.00 0.00 H new ATOM 0 HA GLU A 59 108.527 -6.914 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.494 -9.005 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.320 -8.695 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.733 -10.422 10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.750 -8.971 10.703 1.00 0.00 H new ATOM 887 N PRO A 60 110.407 -5.462 11.298 1.00 0.00 N ATOM 888 CA PRO A 60 111.478 -4.560 11.796 1.00 0.00 C ATOM 889 C PRO A 60 112.497 -5.300 12.660 1.00 0.00 C ATOM 890 O PRO A 60 112.186 -5.763 13.735 1.00 0.00 O ATOM 891 CB PRO A 60 110.713 -3.540 12.639 1.00 0.00 C ATOM 892 CG PRO A 60 109.517 -4.275 13.142 1.00 0.00 C ATOM 893 CD PRO A 60 109.161 -5.306 12.071 1.00 0.00 C ATOM 0 HA PRO A 60 112.054 -4.119 10.983 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.324 -3.170 13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.423 -2.674 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.732 -4.762 14.093 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.686 -3.592 13.315 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.846 -6.250 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.341 -4.961 11.441 1.00 0.00 H new ATOM 901 N HIS A 61 113.715 -5.398 12.210 1.00 0.00 N ATOM 902 CA HIS A 61 114.754 -6.088 13.022 1.00 0.00 C ATOM 903 C HIS A 61 115.442 -5.043 13.898 1.00 0.00 C ATOM 904 O HIS A 61 115.975 -5.340 14.947 1.00 0.00 O ATOM 905 CB HIS A 61 115.776 -6.754 12.101 1.00 0.00 C ATOM 906 CG HIS A 61 116.548 -7.788 12.874 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.131 -7.510 14.102 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.841 -9.104 12.609 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.739 -8.632 14.527 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.592 -9.630 13.654 1.00 0.00 N ATOM 0 H HIS A 61 114.037 -5.030 11.315 1.00 0.00 H new ATOM 0 HA HIS A 61 114.298 -6.859 13.644 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.270 -7.219 11.255 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.456 -6.006 11.694 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.103 -6.617 14.593 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.535 -9.646 11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.279 -8.715 15.459 1.00 0.00 H new ATOM 919 N ASP A 62 115.421 -3.815 13.465 1.00 0.00 N ATOM 920 CA ASP A 62 116.050 -2.717 14.247 1.00 0.00 C ATOM 921 C ASP A 62 115.686 -1.386 13.591 1.00 0.00 C ATOM 922 O ASP A 62 116.475 -0.468 13.545 1.00 0.00 O ATOM 923 CB ASP A 62 117.569 -2.894 14.261 1.00 0.00 C ATOM 924 CG ASP A 62 118.204 -1.822 15.150 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.485 -0.935 15.577 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.397 -1.907 15.389 1.00 0.00 O ATOM 0 H ASP A 62 114.988 -3.522 12.589 1.00 0.00 H new ATOM 0 HA ASP A 62 115.689 -2.736 15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.826 -3.886 14.631 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.963 -2.820 13.247 1.00 0.00 H new ATOM 931 N CYS A 63 114.487 -1.284 13.079 1.00 0.00 N ATOM 932 CA CYS A 63 114.051 -0.022 12.413 1.00 0.00 C ATOM 933 C CYS A 63 114.182 1.149 13.392 1.00 0.00 C ATOM 934 O CYS A 63 114.980 1.108 14.307 1.00 0.00 O ATOM 935 CB CYS A 63 112.594 -0.166 11.960 1.00 0.00 C ATOM 936 SG CYS A 63 112.486 -1.442 10.680 1.00 0.00 S ATOM 0 H CYS A 63 113.787 -2.026 13.094 1.00 0.00 H new ATOM 0 HA CYS A 63 114.681 0.171 11.545 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.962 -0.431 12.808 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.226 0.784 11.574 1.00 0.00 H new ATOM 941 N PHE A 64 113.426 2.205 13.200 1.00 0.00 N ATOM 942 CA PHE A 64 113.538 3.380 14.122 1.00 0.00 C ATOM 943 C PHE A 64 112.299 3.498 15.024 1.00 0.00 C ATOM 944 O PHE A 64 112.413 3.516 16.233 1.00 0.00 O ATOM 945 CB PHE A 64 113.712 4.660 13.300 1.00 0.00 C ATOM 946 CG PHE A 64 112.804 4.632 12.097 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.175 3.911 10.955 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.594 5.333 12.120 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.333 3.891 9.837 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.753 5.314 11.002 1.00 0.00 C ATOM 951 CZ PHE A 64 111.121 4.593 9.861 1.00 0.00 C ATOM 0 H PHE A 64 112.741 2.304 12.450 1.00 0.00 H new ATOM 0 HA PHE A 64 114.408 3.235 14.763 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.485 5.530 13.916 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.749 4.757 12.980 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.110 3.371 10.937 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.309 5.889 13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.618 3.335 8.956 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.819 5.856 11.020 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.471 4.578 8.999 1.00 0.00 H new ATOM 961 N VAL A 65 111.119 3.582 14.468 1.00 0.00 N ATOM 962 CA VAL A 65 109.910 3.707 15.344 1.00 0.00 C ATOM 963 C VAL A 65 110.006 2.674 16.471 1.00 0.00 C ATOM 964 O VAL A 65 110.294 3.004 17.608 1.00 0.00 O ATOM 965 CB VAL A 65 108.636 3.453 14.530 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.439 3.351 15.479 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.409 4.612 13.558 1.00 0.00 C ATOM 0 H VAL A 65 110.938 3.570 13.464 1.00 0.00 H new ATOM 0 HA VAL A 65 109.868 4.714 15.758 1.00 0.00 H new ATOM 0 HB VAL A 65 108.744 2.524 13.971 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.532 3.170 14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.596 2.528 16.176 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.336 4.282 16.036 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.503 4.430 12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.302 5.541 14.118 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.260 4.692 12.882 1.00 0.00 H new ATOM 977 N SER A 66 109.797 1.426 16.153 1.00 0.00 N ATOM 978 CA SER A 66 109.897 0.357 17.186 1.00 0.00 C ATOM 979 C SER A 66 110.581 -0.856 16.555 1.00 0.00 C ATOM 980 O SER A 66 110.220 -1.284 15.479 1.00 0.00 O ATOM 981 CB SER A 66 108.497 -0.031 17.667 1.00 0.00 C ATOM 982 OG SER A 66 108.609 -0.942 18.753 1.00 0.00 O ATOM 0 H SER A 66 109.560 1.099 15.216 1.00 0.00 H new ATOM 0 HA SER A 66 110.474 0.712 18.040 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.948 0.858 17.978 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.933 -0.486 16.853 1.00 0.00 H new ATOM 0 HG SER A 66 107.714 -1.191 19.065 1.00 0.00 H new ATOM 988 N ALA A 67 111.576 -1.404 17.198 1.00 0.00 N ATOM 989 CA ALA A 67 112.274 -2.573 16.593 1.00 0.00 C ATOM 990 C ALA A 67 113.269 -3.175 17.587 1.00 0.00 C ATOM 991 O ALA A 67 113.391 -2.731 18.711 1.00 0.00 O ATOM 992 CB ALA A 67 113.030 -2.109 15.349 1.00 0.00 C ATOM 0 H ALA A 67 111.932 -1.098 18.104 1.00 0.00 H new ATOM 0 HA ALA A 67 111.536 -3.331 16.330 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.545 -2.958 14.898 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.326 -1.689 14.631 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.760 -1.349 15.629 1.00 0.00 H new ATOM 998 N PHE A 68 113.976 -4.192 17.173 1.00 0.00 N ATOM 999 CA PHE A 68 114.965 -4.839 18.080 1.00 0.00 C ATOM 1000 C PHE A 68 116.339 -4.208 17.835 1.00 0.00 C ATOM 1001 O PHE A 68 116.792 -4.107 16.714 1.00 0.00 O ATOM 1002 CB PHE A 68 115.041 -6.339 17.774 1.00 0.00 C ATOM 1003 CG PHE A 68 113.648 -6.899 17.591 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.954 -6.665 16.398 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.057 -7.663 18.605 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.667 -7.194 16.218 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.770 -8.190 18.425 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.077 -7.954 17.229 1.00 0.00 C ATOM 0 H PHE A 68 113.910 -4.603 16.242 1.00 0.00 H new ATOM 0 HA PHE A 68 114.662 -4.697 19.117 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.630 -6.506 16.872 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.548 -6.859 18.587 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.410 -6.077 15.615 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.592 -7.846 19.525 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.133 -7.013 15.297 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.313 -8.778 19.207 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.086 -8.361 17.090 1.00 0.00 H new ATOM 1018 N ASN A 69 117.003 -3.770 18.869 1.00 0.00 N ATOM 1019 CA ASN A 69 118.340 -3.136 18.677 1.00 0.00 C ATOM 1020 C ASN A 69 119.391 -4.216 18.414 1.00 0.00 C ATOM 1021 O ASN A 69 119.081 -5.383 18.290 1.00 0.00 O ATOM 1022 CB ASN A 69 118.720 -2.352 19.934 1.00 0.00 C ATOM 1023 CG ASN A 69 117.843 -1.104 20.040 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.231 -0.694 19.075 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.760 -0.475 21.181 1.00 0.00 N ATOM 0 H ASN A 69 116.680 -3.823 19.835 1.00 0.00 H new ATOM 0 HA ASN A 69 118.297 -2.459 17.824 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.591 -2.976 20.818 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.772 -2.068 19.895 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.181 0.361 21.262 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.274 -0.819 21.992 1.00 0.00 H new ATOM 1032 N LEU A 70 120.637 -3.833 18.332 1.00 0.00 N ATOM 1033 CA LEU A 70 121.710 -4.835 18.081 1.00 0.00 C ATOM 1034 C LEU A 70 121.766 -5.816 19.252 1.00 0.00 C ATOM 1035 O LEU A 70 122.265 -6.917 19.130 1.00 0.00 O ATOM 1036 CB LEU A 70 123.057 -4.119 17.940 1.00 0.00 C ATOM 1037 CG LEU A 70 123.079 -3.316 16.634 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.260 -2.344 16.650 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.230 -4.271 15.441 1.00 0.00 C ATOM 0 H LEU A 70 120.957 -2.869 18.428 1.00 0.00 H new ATOM 0 HA LEU A 70 121.497 -5.379 17.161 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.218 -3.455 18.789 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.869 -4.846 17.945 1.00 0.00 H new ATOM 0 HG LEU A 70 122.146 -2.760 16.541 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.275 -1.774 15.721 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.158 -1.661 17.493 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.190 -2.903 16.747 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.245 -3.697 14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.161 -4.829 15.537 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.391 -4.966 15.423 1.00 0.00 H new ATOM 1051 N SER A 71 121.242 -5.428 20.382 1.00 0.00 N ATOM 1052 CA SER A 71 121.247 -6.339 21.560 1.00 0.00 C ATOM 1053 C SER A 71 120.055 -7.290 21.453 1.00 0.00 C ATOM 1054 O SER A 71 119.911 -8.214 22.228 1.00 0.00 O ATOM 1055 CB SER A 71 121.127 -5.516 22.844 1.00 0.00 C ATOM 1056 OG SER A 71 122.396 -4.964 23.168 1.00 0.00 O ATOM 0 H SER A 71 120.810 -4.518 20.540 1.00 0.00 H new ATOM 0 HA SER A 71 122.176 -6.908 21.583 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.394 -4.720 22.712 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.772 -6.144 23.661 1.00 0.00 H new ATOM 0 HG SER A 71 122.322 -4.435 23.989 1.00 0.00 H new ATOM 1062 N GLY A 72 119.203 -7.068 20.490 1.00 0.00 N ATOM 1063 CA GLY A 72 118.017 -7.950 20.316 1.00 0.00 C ATOM 1064 C GLY A 72 116.918 -7.525 21.291 1.00 0.00 C ATOM 1065 O GLY A 72 116.014 -8.279 21.591 1.00 0.00 O ATOM 0 H GLY A 72 119.279 -6.309 19.813 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.652 -7.889 19.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.294 -8.989 20.494 1.00 0.00 H new ATOM 1069 N LYS A 73 116.988 -6.319 21.790 1.00 0.00 N ATOM 1070 CA LYS A 73 115.948 -5.843 22.745 1.00 0.00 C ATOM 1071 C LYS A 73 114.962 -4.937 22.003 1.00 0.00 C ATOM 1072 O LYS A 73 115.349 -4.106 21.207 1.00 0.00 O ATOM 1073 CB LYS A 73 116.622 -5.053 23.873 1.00 0.00 C ATOM 1074 CG LYS A 73 117.662 -5.934 24.573 1.00 0.00 C ATOM 1075 CD LYS A 73 116.963 -6.891 25.543 1.00 0.00 C ATOM 1076 CE LYS A 73 118.009 -7.720 26.289 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.800 -6.832 27.187 1.00 0.00 N ATOM 0 H LYS A 73 117.722 -5.643 21.576 1.00 0.00 H new ATOM 0 HA LYS A 73 115.414 -6.695 23.167 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.100 -4.161 23.469 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.874 -4.717 24.591 1.00 0.00 H new ATOM 0 HG2 LYS A 73 118.229 -6.500 23.834 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.375 -5.311 25.113 1.00 0.00 H new ATOM 0 HD2 LYS A 73 116.357 -6.327 26.253 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.286 -7.548 24.997 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.521 -8.502 26.871 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.669 -8.217 25.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 119.260 -7.404 27.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.525 -6.334 26.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.168 -6.137 27.633 1.00 0.00 H new ATOM 1091 N ASN A 74 113.688 -5.096 22.248 1.00 0.00 N ATOM 1092 CA ASN A 74 112.681 -4.250 21.543 1.00 0.00 C ATOM 1093 C ASN A 74 112.500 -2.922 22.282 1.00 0.00 C ATOM 1094 O ASN A 74 112.004 -2.879 23.390 1.00 0.00 O ATOM 1095 CB ASN A 74 111.342 -4.990 21.485 1.00 0.00 C ATOM 1096 CG ASN A 74 110.479 -4.394 20.370 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.984 -4.022 19.329 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.189 -4.288 20.544 1.00 0.00 N ATOM 0 H ASN A 74 113.302 -5.774 22.905 1.00 0.00 H new ATOM 0 HA ASN A 74 113.032 -4.049 20.531 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.508 -6.052 21.303 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.827 -4.908 22.442 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.606 -3.893 19.806 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.765 -4.600 21.418 1.00 0.00 H new ATOM 1105 N GLU A 75 112.902 -1.836 21.672 1.00 0.00 N ATOM 1106 CA GLU A 75 112.756 -0.509 22.333 1.00 0.00 C ATOM 1107 C GLU A 75 112.569 0.587 21.274 1.00 0.00 C ATOM 1108 O GLU A 75 113.172 0.552 20.219 1.00 0.00 O ATOM 1109 CB GLU A 75 114.021 -0.206 23.147 1.00 0.00 C ATOM 1110 CG GLU A 75 113.865 1.139 23.863 1.00 0.00 C ATOM 1111 CD GLU A 75 115.097 1.401 24.734 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.076 0.692 24.571 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.038 2.305 25.551 1.00 0.00 O ATOM 0 H GLU A 75 113.325 -1.813 20.744 1.00 0.00 H new ATOM 0 HA GLU A 75 111.885 -0.531 22.989 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.195 -0.998 23.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.890 -0.180 22.490 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.746 1.940 23.133 1.00 0.00 H new ATOM 0 HG3 GLU A 75 112.966 1.133 24.479 1.00 0.00 H new ATOM 1120 N ASN A 76 111.727 1.548 21.545 1.00 0.00 N ATOM 1121 CA ASN A 76 111.494 2.634 20.545 1.00 0.00 C ATOM 1122 C ASN A 76 112.806 3.382 20.299 1.00 0.00 C ATOM 1123 O ASN A 76 113.627 3.517 21.183 1.00 0.00 O ATOM 1124 CB ASN A 76 110.443 3.607 21.088 1.00 0.00 C ATOM 1125 CG ASN A 76 110.075 4.626 20.006 1.00 0.00 C ATOM 1126 OD1 ASN A 76 110.854 4.891 19.114 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.906 5.211 20.046 1.00 0.00 N ATOM 0 H ASN A 76 111.192 1.630 22.410 1.00 0.00 H new ATOM 0 HA ASN A 76 111.139 2.203 19.609 1.00 0.00 H new ATOM 0 HB2 ASN A 76 109.555 3.059 21.403 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.829 4.121 21.968 1.00 0.00 H new ATOM 0 HD21 ASN A 76 108.650 5.889 19.328 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.250 4.989 20.795 1.00 0.00 H new ATOM 1134 N LEU A 77 113.017 3.855 19.098 1.00 0.00 N ATOM 1135 CA LEU A 77 114.284 4.590 18.797 1.00 0.00 C ATOM 1136 C LEU A 77 114.029 6.104 18.836 1.00 0.00 C ATOM 1137 O LEU A 77 114.886 6.897 18.503 1.00 0.00 O ATOM 1138 CB LEU A 77 114.776 4.195 17.401 1.00 0.00 C ATOM 1139 CG LEU A 77 116.283 4.454 17.278 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.059 3.285 17.899 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.662 4.582 15.802 1.00 0.00 C ATOM 0 H LEU A 77 112.370 3.765 18.315 1.00 0.00 H new ATOM 0 HA LEU A 77 115.037 4.333 19.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.564 3.142 17.217 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.239 4.765 16.643 1.00 0.00 H new ATOM 0 HG LEU A 77 116.532 5.377 17.801 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.129 3.471 17.811 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.793 3.190 18.952 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.807 2.362 17.376 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.733 4.766 15.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.409 3.659 15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.114 5.412 15.356 1.00 0.00 H new ATOM 1153 N GLU A 78 112.854 6.511 19.227 1.00 0.00 N ATOM 1154 CA GLU A 78 112.551 7.973 19.271 1.00 0.00 C ATOM 1155 C GLU A 78 113.234 8.613 20.484 1.00 0.00 C ATOM 1156 O GLU A 78 113.736 9.719 20.414 1.00 0.00 O ATOM 1157 CB GLU A 78 111.037 8.189 19.345 1.00 0.00 C ATOM 1158 CG GLU A 78 110.523 7.799 20.734 1.00 0.00 C ATOM 1159 CD GLU A 78 110.555 9.023 21.652 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.232 9.978 21.309 1.00 0.00 O ATOM 1161 OE2 GLU A 78 109.899 8.986 22.679 1.00 0.00 O ATOM 0 H GLU A 78 112.091 5.899 19.517 1.00 0.00 H new ATOM 0 HA GLU A 78 112.932 8.443 18.364 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.799 9.233 19.139 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.538 7.592 18.582 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.507 7.412 20.662 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.139 7.002 21.151 1.00 0.00 H new ATOM 1168 N ASN A 79 113.253 7.933 21.597 1.00 0.00 N ATOM 1169 CA ASN A 79 113.902 8.513 22.805 1.00 0.00 C ATOM 1170 C ASN A 79 115.371 8.801 22.496 1.00 0.00 C ATOM 1171 O ASN A 79 116.042 9.509 23.221 1.00 0.00 O ATOM 1172 CB ASN A 79 113.808 7.516 23.964 1.00 0.00 C ATOM 1173 CG ASN A 79 114.613 6.260 23.621 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.371 6.251 22.672 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.478 5.191 24.358 1.00 0.00 N ATOM 0 H ASN A 79 112.849 7.005 21.722 1.00 0.00 H new ATOM 0 HA ASN A 79 113.398 9.438 23.084 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.191 7.968 24.879 1.00 0.00 H new ATOM 0 HB3 ASN A 79 112.766 7.254 24.149 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.009 4.349 24.137 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.842 5.198 25.155 1.00 0.00 H new ATOM 1182 N LYS A 80 115.873 8.262 21.418 1.00 0.00 N ATOM 1183 CA LYS A 80 117.297 8.503 21.048 1.00 0.00 C ATOM 1184 C LYS A 80 117.355 9.451 19.851 1.00 0.00 C ATOM 1185 O LYS A 80 118.238 10.279 19.743 1.00 0.00 O ATOM 1186 CB LYS A 80 117.957 7.169 20.681 1.00 0.00 C ATOM 1187 CG LYS A 80 119.254 7.426 19.906 1.00 0.00 C ATOM 1188 CD LYS A 80 120.103 6.153 19.890 1.00 0.00 C ATOM 1189 CE LYS A 80 119.418 5.089 19.033 1.00 0.00 C ATOM 1190 NZ LYS A 80 120.339 3.934 18.838 1.00 0.00 N ATOM 0 H LYS A 80 115.356 7.663 20.775 1.00 0.00 H new ATOM 0 HA LYS A 80 117.826 8.950 21.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.170 6.598 21.585 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.275 6.569 20.078 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.025 7.735 18.886 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.811 8.241 20.369 1.00 0.00 H new ATOM 0 HD2 LYS A 80 121.095 6.370 19.493 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.240 5.783 20.906 1.00 0.00 H new ATOM 0 HE2 LYS A 80 118.499 4.756 19.515 1.00 0.00 H new ATOM 0 HE3 LYS A 80 119.138 5.510 18.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 120.248 3.578 17.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.319 4.239 19.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 120.094 3.177 19.508 1.00 0.00 H new ATOM 1204 N LEU A 81 116.422 9.329 18.946 1.00 0.00 N ATOM 1205 CA LEU A 81 116.413 10.212 17.743 1.00 0.00 C ATOM 1206 C LEU A 81 115.069 10.939 17.658 1.00 0.00 C ATOM 1207 O LEU A 81 114.023 10.331 17.729 1.00 0.00 O ATOM 1208 CB LEU A 81 116.606 9.350 16.494 1.00 0.00 C ATOM 1209 CG LEU A 81 116.795 10.245 15.265 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.112 11.022 15.391 1.00 0.00 C ATOM 1211 CD2 LEU A 81 116.832 9.373 14.005 1.00 0.00 C ATOM 0 H LEU A 81 115.661 8.652 18.988 1.00 0.00 H new ATOM 0 HA LEU A 81 117.217 10.945 17.814 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.474 8.702 16.619 1.00 0.00 H new ATOM 0 HB3 LEU A 81 115.742 8.701 16.352 1.00 0.00 H new ATOM 0 HG LEU A 81 115.967 10.950 15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.244 11.658 14.516 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.085 11.640 16.288 1.00 0.00 H new ATOM 0 HD13 LEU A 81 118.943 10.320 15.459 1.00 0.00 H new ATOM 0 HD21 LEU A 81 116.966 10.006 13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 81 117.661 8.669 14.074 1.00 0.00 H new ATOM 0 HD23 LEU A 81 115.895 8.823 13.915 1.00 0.00 H new ATOM 1223 N LYS A 82 115.085 12.234 17.499 1.00 0.00 N ATOM 1224 CA LYS A 82 113.797 12.979 17.402 1.00 0.00 C ATOM 1225 C LYS A 82 113.157 12.707 16.038 1.00 0.00 C ATOM 1226 O LYS A 82 113.313 13.467 15.103 1.00 0.00 O ATOM 1227 CB LYS A 82 114.066 14.480 17.552 1.00 0.00 C ATOM 1228 CG LYS A 82 114.537 14.773 18.979 1.00 0.00 C ATOM 1229 CD LYS A 82 114.901 16.253 19.106 1.00 0.00 C ATOM 1230 CE LYS A 82 113.637 17.069 19.384 1.00 0.00 C ATOM 1231 NZ LYS A 82 112.986 16.568 20.627 1.00 0.00 N ATOM 0 H LYS A 82 115.927 12.805 17.432 1.00 0.00 H new ATOM 0 HA LYS A 82 113.122 12.651 18.193 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.823 14.798 16.835 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.161 15.046 17.333 1.00 0.00 H new ATOM 0 HG2 LYS A 82 113.752 14.519 19.691 1.00 0.00 H new ATOM 0 HG3 LYS A 82 115.400 14.154 19.222 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.621 16.393 19.912 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.377 16.601 18.189 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.889 18.124 19.492 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.948 16.990 18.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.527 17.359 21.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 112.272 15.853 20.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 113.704 16.141 21.247 1.00 0.00 H new ATOM 1245 N LEU A 83 112.450 11.616 15.913 1.00 0.00 N ATOM 1246 CA LEU A 83 111.814 11.279 14.606 1.00 0.00 C ATOM 1247 C LEU A 83 110.679 12.259 14.310 1.00 0.00 C ATOM 1248 O LEU A 83 109.820 12.502 15.133 1.00 0.00 O ATOM 1249 CB LEU A 83 111.244 9.857 14.678 1.00 0.00 C ATOM 1250 CG LEU A 83 112.376 8.855 14.913 1.00 0.00 C ATOM 1251 CD1 LEU A 83 111.794 7.558 15.483 1.00 0.00 C ATOM 1252 CD2 LEU A 83 113.077 8.549 13.584 1.00 0.00 C ATOM 0 H LEU A 83 112.285 10.942 16.661 1.00 0.00 H new ATOM 0 HA LEU A 83 112.561 11.344 13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 83 110.513 9.789 15.484 1.00 0.00 H new ATOM 0 HB3 LEU A 83 110.721 9.618 13.752 1.00 0.00 H new ATOM 0 HG LEU A 83 113.094 9.279 15.615 1.00 0.00 H new ATOM 0 HD11 LEU A 83 112.598 6.842 15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 83 111.292 7.769 16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 83 111.077 7.139 14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 83 113.883 7.835 13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 83 112.358 8.125 12.883 1.00 0.00 H new ATOM 0 HD23 LEU A 83 113.489 9.469 13.169 1.00 0.00 H new ATOM 1264 N THR A 84 110.672 12.824 13.131 1.00 0.00 N ATOM 1265 CA THR A 84 109.594 13.789 12.766 1.00 0.00 C ATOM 1266 C THR A 84 109.068 13.455 11.367 1.00 0.00 C ATOM 1267 O THR A 84 109.780 12.930 10.536 1.00 0.00 O ATOM 1268 CB THR A 84 110.159 15.214 12.768 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.205 15.308 11.810 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.706 15.549 14.157 1.00 0.00 C ATOM 0 H THR A 84 111.368 12.658 12.404 1.00 0.00 H new ATOM 0 HA THR A 84 108.783 13.719 13.491 1.00 0.00 H new ATOM 0 HB THR A 84 109.367 15.918 12.514 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.566 16.219 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.107 16.563 14.155 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.903 15.477 14.891 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.498 14.846 14.415 1.00 0.00 H new ATOM 1278 N ASN A 85 107.828 13.764 11.095 1.00 0.00 N ATOM 1279 CA ASN A 85 107.265 13.471 9.746 1.00 0.00 C ATOM 1280 C ASN A 85 107.498 11.999 9.402 1.00 0.00 C ATOM 1281 O ASN A 85 108.009 11.670 8.350 1.00 0.00 O ATOM 1282 CB ASN A 85 107.951 14.355 8.703 1.00 0.00 C ATOM 1283 CG ASN A 85 107.530 15.812 8.910 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.535 16.083 9.554 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.249 16.767 8.387 1.00 0.00 N ATOM 0 H ASN A 85 107.182 14.206 11.748 1.00 0.00 H new ATOM 0 HA ASN A 85 106.195 13.677 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.034 14.263 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.681 14.027 7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.976 17.741 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.084 16.539 7.847 1.00 0.00 H new ATOM 1292 N ILE A 86 107.137 11.112 10.287 1.00 0.00 N ATOM 1293 CA ILE A 86 107.348 9.661 10.022 1.00 0.00 C ATOM 1294 C ILE A 86 106.259 9.134 9.081 1.00 0.00 C ATOM 1295 O ILE A 86 105.081 9.343 9.299 1.00 0.00 O ATOM 1296 CB ILE A 86 107.297 8.903 11.348 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.457 9.363 12.238 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.417 7.399 11.093 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.295 8.783 13.649 1.00 0.00 C ATOM 0 H ILE A 86 106.704 11.330 11.184 1.00 0.00 H new ATOM 0 HA ILE A 86 108.319 9.514 9.549 1.00 0.00 H new ATOM 0 HB ILE A 86 106.348 9.107 11.844 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.406 9.040 11.809 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.482 10.452 12.284 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.380 6.865 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.593 7.071 10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.364 7.189 10.595 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.123 9.114 14.276 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.354 9.128 14.078 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.292 7.694 13.597 1.00 0.00 H new ATOM 1311 N ILE A 87 106.649 8.443 8.041 1.00 0.00 N ATOM 1312 CA ILE A 87 105.650 7.887 7.078 1.00 0.00 C ATOM 1313 C ILE A 87 105.747 6.359 7.075 1.00 0.00 C ATOM 1314 O ILE A 87 106.776 5.804 6.745 1.00 0.00 O ATOM 1315 CB ILE A 87 105.961 8.405 5.668 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.916 9.939 5.652 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.936 7.852 4.677 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.561 10.428 6.170 1.00 0.00 C ATOM 0 H ILE A 87 107.623 8.239 7.816 1.00 0.00 H new ATOM 0 HA ILE A 87 104.648 8.196 7.375 1.00 0.00 H new ATOM 0 HB ILE A 87 106.958 8.073 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.718 10.341 6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.081 10.305 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.160 8.222 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.979 6.763 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.937 8.176 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.538 11.518 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.766 10.039 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.413 10.076 7.191 1.00 0.00 H new ATOM 1330 N MET A 88 104.688 5.673 7.435 1.00 0.00 N ATOM 1331 CA MET A 88 104.738 4.176 7.445 1.00 0.00 C ATOM 1332 C MET A 88 103.615 3.613 6.569 1.00 0.00 C ATOM 1333 O MET A 88 102.456 3.651 6.929 1.00 0.00 O ATOM 1334 CB MET A 88 104.569 3.668 8.879 1.00 0.00 C ATOM 1335 CG MET A 88 105.756 4.128 9.729 1.00 0.00 C ATOM 1336 SD MET A 88 105.498 3.633 11.452 1.00 0.00 S ATOM 1337 CE MET A 88 106.173 1.958 11.320 1.00 0.00 C ATOM 0 H MET A 88 103.798 6.081 7.720 1.00 0.00 H new ATOM 0 HA MET A 88 105.700 3.847 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.638 4.045 9.302 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.504 2.580 8.885 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.679 3.691 9.349 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.865 5.211 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.111 1.463 12.289 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.600 1.392 10.586 1.00 0.00 H new ATOM 0 HE3 MET A 88 107.215 2.010 11.005 1.00 0.00 H new ATOM 1347 N ASP A 89 103.956 3.073 5.427 1.00 0.00 N ATOM 1348 CA ASP A 89 102.918 2.484 4.527 1.00 0.00 C ATOM 1349 C ASP A 89 103.135 0.970 4.437 1.00 0.00 C ATOM 1350 O ASP A 89 104.012 0.498 3.738 1.00 0.00 O ATOM 1351 CB ASP A 89 103.041 3.104 3.134 1.00 0.00 C ATOM 1352 CG ASP A 89 101.846 2.683 2.278 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.072 1.860 2.739 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.724 3.190 1.175 1.00 0.00 O ATOM 0 H ASP A 89 104.912 3.014 5.077 1.00 0.00 H new ATOM 0 HA ASP A 89 101.924 2.689 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.081 4.191 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 89 103.970 2.783 2.663 1.00 0.00 H new ATOM 1359 N HIS A 90 102.348 0.199 5.137 1.00 0.00 N ATOM 1360 CA HIS A 90 102.514 -1.283 5.094 1.00 0.00 C ATOM 1361 C HIS A 90 102.036 -1.837 3.749 1.00 0.00 C ATOM 1362 O HIS A 90 102.594 -2.782 3.227 1.00 0.00 O ATOM 1363 CB HIS A 90 101.709 -1.917 6.227 1.00 0.00 C ATOM 1364 CG HIS A 90 102.366 -1.603 7.543 1.00 0.00 C ATOM 1365 ND1 HIS A 90 101.981 -0.521 8.322 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.383 -2.217 8.230 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.757 -0.516 9.422 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.626 -1.528 9.413 1.00 0.00 N ATOM 0 H HIS A 90 101.595 0.532 5.739 1.00 0.00 H new ATOM 0 HA HIS A 90 103.570 -1.524 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.687 -1.538 6.218 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.650 -2.996 6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 90 103.913 -3.099 7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.685 0.216 10.213 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.322 -1.750 10.124 1.00 0.00 H new ATOM 1377 N TYR A 91 101.006 -1.272 3.183 1.00 0.00 N ATOM 1378 CA TYR A 91 100.504 -1.787 1.875 1.00 0.00 C ATOM 1379 C TYR A 91 101.607 -1.663 0.821 1.00 0.00 C ATOM 1380 O TYR A 91 101.854 -2.576 0.059 1.00 0.00 O ATOM 1381 CB TYR A 91 99.281 -0.984 1.433 1.00 0.00 C ATOM 1382 CG TYR A 91 98.846 -1.452 0.064 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.129 -2.646 -0.074 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.165 -0.691 -1.067 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.730 -3.080 -1.345 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.766 -1.125 -2.337 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.048 -2.319 -2.476 1.00 0.00 C ATOM 1388 OH TYR A 91 97.656 -2.746 -3.728 1.00 0.00 O ATOM 0 H TYR A 91 100.491 -0.479 3.566 1.00 0.00 H new ATOM 0 HA TYR A 91 100.222 -2.834 1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.469 -1.112 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.519 0.079 1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.883 -3.233 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.718 0.230 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.177 -4.002 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.012 -0.538 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 91 97.956 -2.101 -4.402 1.00 0.00 H new ATOM 1398 N ASN A 92 102.279 -0.543 0.774 1.00 0.00 N ATOM 1399 CA ASN A 92 103.368 -0.374 -0.228 1.00 0.00 C ATOM 1400 C ASN A 92 104.685 -0.863 0.376 1.00 0.00 C ATOM 1401 O ASN A 92 105.695 -0.946 -0.294 1.00 0.00 O ATOM 1402 CB ASN A 92 103.491 1.102 -0.610 1.00 0.00 C ATOM 1403 CG ASN A 92 102.330 1.492 -1.524 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.687 0.641 -2.105 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.031 2.753 -1.677 1.00 0.00 N ATOM 0 H ASN A 92 102.121 0.259 1.385 1.00 0.00 H new ATOM 0 HA ASN A 92 103.138 -0.955 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.486 1.722 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.440 1.280 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.258 3.024 -2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.571 3.468 -1.189 1.00 0.00 H new ATOM 1412 N ASN A 93 104.668 -1.214 1.634 1.00 0.00 N ATOM 1413 CA ASN A 93 105.905 -1.730 2.286 1.00 0.00 C ATOM 1414 C ASN A 93 107.049 -0.726 2.129 1.00 0.00 C ATOM 1415 O ASN A 93 108.149 -1.086 1.760 1.00 0.00 O ATOM 1416 CB ASN A 93 106.299 -3.063 1.640 1.00 0.00 C ATOM 1417 CG ASN A 93 105.280 -4.139 2.023 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.540 -3.980 2.972 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.214 -5.239 1.321 1.00 0.00 N ATOM 0 H ASN A 93 103.848 -1.165 2.239 1.00 0.00 H new ATOM 0 HA ASN A 93 105.712 -1.877 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.340 -2.956 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.296 -3.358 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.541 -5.964 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.836 -5.373 0.523 1.00 0.00 H new ATOM 1426 N THR A 94 106.804 0.531 2.402 1.00 0.00 N ATOM 1427 CA THR A 94 107.885 1.554 2.267 1.00 0.00 C ATOM 1428 C THR A 94 107.917 2.429 3.523 1.00 0.00 C ATOM 1429 O THR A 94 106.890 2.817 4.046 1.00 0.00 O ATOM 1430 CB THR A 94 107.616 2.428 1.040 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.536 3.509 1.025 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.190 2.970 1.098 1.00 0.00 C ATOM 0 H THR A 94 105.902 0.893 2.712 1.00 0.00 H new ATOM 0 HA THR A 94 108.846 1.053 2.148 1.00 0.00 H new ATOM 0 HB THR A 94 107.736 1.833 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.231 4.206 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.001 3.592 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.485 2.139 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.064 3.567 2.001 1.00 0.00 H new ATOM 1440 N PHE A 95 109.091 2.728 4.021 1.00 0.00 N ATOM 1441 CA PHE A 95 109.186 3.566 5.257 1.00 0.00 C ATOM 1442 C PHE A 95 110.122 4.753 5.009 1.00 0.00 C ATOM 1443 O PHE A 95 111.154 4.619 4.383 1.00 0.00 O ATOM 1444 CB PHE A 95 109.749 2.710 6.393 1.00 0.00 C ATOM 1445 CG PHE A 95 108.935 1.445 6.523 1.00 0.00 C ATOM 1446 CD1 PHE A 95 109.110 0.405 5.603 1.00 0.00 C ATOM 1447 CD2 PHE A 95 108.009 1.309 7.562 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.356 -0.770 5.721 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.256 0.136 7.682 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.429 -0.903 6.761 1.00 0.00 C ATOM 0 H PHE A 95 109.984 2.430 3.628 1.00 0.00 H new ATOM 0 HA PHE A 95 108.197 3.939 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.792 2.465 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.725 3.268 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.827 0.508 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.875 2.111 8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.490 -1.572 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.541 0.033 8.485 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.847 -1.808 6.853 1.00 0.00 H new ATOM 1460 N TYR A 96 109.772 5.917 5.501 1.00 0.00 N ATOM 1461 CA TYR A 96 110.642 7.116 5.301 1.00 0.00 C ATOM 1462 C TYR A 96 110.751 7.890 6.619 1.00 0.00 C ATOM 1463 O TYR A 96 109.820 7.942 7.398 1.00 0.00 O ATOM 1464 CB TYR A 96 110.020 8.046 4.253 1.00 0.00 C ATOM 1465 CG TYR A 96 109.813 7.312 2.951 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.833 7.278 1.993 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.590 6.681 2.694 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.631 6.608 0.779 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.388 6.014 1.480 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.409 5.977 0.523 1.00 0.00 C ATOM 1471 OH TYR A 96 109.207 5.320 -0.674 1.00 0.00 O ATOM 0 H TYR A 96 108.919 6.088 6.034 1.00 0.00 H new ATOM 0 HA TYR A 96 111.625 6.784 4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.066 8.428 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.668 8.908 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.775 7.768 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.802 6.709 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.419 6.579 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.444 5.528 1.282 1.00 0.00 H new ATOM 0 HH TYR A 96 108.902 4.406 -0.498 1.00 0.00 H new ATOM 1481 N SER A 97 111.874 8.510 6.871 1.00 0.00 N ATOM 1482 CA SER A 97 112.034 9.294 8.129 1.00 0.00 C ATOM 1483 C SER A 97 113.022 10.439 7.886 1.00 0.00 C ATOM 1484 O SER A 97 113.908 10.342 7.058 1.00 0.00 O ATOM 1485 CB SER A 97 112.563 8.389 9.243 1.00 0.00 C ATOM 1486 OG SER A 97 112.766 9.163 10.418 1.00 0.00 O ATOM 0 H SER A 97 112.689 8.507 6.257 1.00 0.00 H new ATOM 0 HA SER A 97 111.067 9.699 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.855 7.584 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.498 7.922 8.935 1.00 0.00 H new ATOM 0 HG SER A 97 113.593 8.877 10.860 1.00 0.00 H new ATOM 1492 N ARG A 98 112.877 11.530 8.595 1.00 0.00 N ATOM 1493 CA ARG A 98 113.808 12.680 8.393 1.00 0.00 C ATOM 1494 C ARG A 98 114.850 12.698 9.518 1.00 0.00 C ATOM 1495 O ARG A 98 114.527 12.547 10.681 1.00 0.00 O ATOM 1496 CB ARG A 98 113.016 13.993 8.410 1.00 0.00 C ATOM 1497 CG ARG A 98 112.012 14.011 7.253 1.00 0.00 C ATOM 1498 CD ARG A 98 111.260 15.342 7.253 1.00 0.00 C ATOM 1499 NE ARG A 98 110.126 15.268 6.275 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.336 15.034 5.010 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.551 15.018 4.537 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.323 14.852 4.206 1.00 0.00 N ATOM 0 H ARG A 98 112.156 11.673 9.303 1.00 0.00 H new ATOM 0 HA ARG A 98 114.311 12.573 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.492 14.099 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.697 14.840 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.531 13.874 6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.309 13.184 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.881 15.559 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.935 16.155 6.985 1.00 0.00 H new ATOM 0 HE ARG A 98 109.171 15.404 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.342 15.189 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.710 14.834 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.370 14.893 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.484 14.669 3.216 1.00 0.00 H new ATOM 1516 N LEU A 99 116.096 12.882 9.176 1.00 0.00 N ATOM 1517 CA LEU A 99 117.168 12.910 10.211 1.00 0.00 C ATOM 1518 C LEU A 99 117.423 14.361 10.646 1.00 0.00 C ATOM 1519 O LEU A 99 117.468 15.252 9.820 1.00 0.00 O ATOM 1520 CB LEU A 99 118.466 12.349 9.622 1.00 0.00 C ATOM 1521 CG LEU A 99 118.308 10.858 9.325 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.573 10.349 8.632 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.104 10.088 10.635 1.00 0.00 C ATOM 0 H LEU A 99 116.419 13.015 8.218 1.00 0.00 H new ATOM 0 HA LEU A 99 116.853 12.310 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.721 12.885 8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.288 12.503 10.321 1.00 0.00 H new ATOM 0 HG LEU A 99 117.443 10.706 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.467 9.286 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.722 10.895 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.432 10.504 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.992 9.026 10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.968 10.237 11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.207 10.453 11.136 1.00 0.00 H new ATOM 1535 N PRO A 100 117.622 14.607 11.920 1.00 0.00 N ATOM 1536 CA PRO A 100 117.909 15.978 12.419 1.00 0.00 C ATOM 1537 C PRO A 100 118.970 16.670 11.559 1.00 0.00 C ATOM 1538 O PRO A 100 119.672 16.035 10.799 1.00 0.00 O ATOM 1539 CB PRO A 100 118.442 15.746 13.834 1.00 0.00 C ATOM 1540 CG PRO A 100 117.838 14.456 14.278 1.00 0.00 C ATOM 1541 CD PRO A 100 117.588 13.626 13.019 1.00 0.00 C ATOM 0 HA PRO A 100 117.030 16.622 12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.531 15.693 13.840 1.00 0.00 H new ATOM 0 HB3 PRO A 100 118.159 16.562 14.499 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.507 13.931 14.960 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.907 14.631 14.816 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.352 12.859 12.891 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.627 13.114 13.065 1.00 0.00 H new ATOM 1549 N SER A 101 119.084 17.962 11.658 1.00 0.00 N ATOM 1550 CA SER A 101 120.092 18.678 10.831 1.00 0.00 C ATOM 1551 C SER A 101 121.487 18.469 11.423 1.00 0.00 C ATOM 1552 O SER A 101 122.484 18.814 10.820 1.00 0.00 O ATOM 1553 CB SER A 101 119.767 20.172 10.810 1.00 0.00 C ATOM 1554 OG SER A 101 118.734 20.416 9.864 1.00 0.00 O ATOM 0 H SER A 101 118.525 18.553 12.274 1.00 0.00 H new ATOM 0 HA SER A 101 120.068 18.285 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.454 20.501 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.657 20.746 10.550 1.00 0.00 H new ATOM 0 HG SER A 101 118.523 21.373 9.850 1.00 0.00 H new ATOM 1560 N LEU A 102 121.569 17.914 12.605 1.00 0.00 N ATOM 1561 CA LEU A 102 122.904 17.697 13.238 1.00 0.00 C ATOM 1562 C LEU A 102 122.973 16.302 13.872 1.00 0.00 C ATOM 1563 O LEU A 102 122.115 15.918 14.642 1.00 0.00 O ATOM 1564 CB LEU A 102 123.119 18.761 14.315 1.00 0.00 C ATOM 1565 CG LEU A 102 124.464 18.540 15.009 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.590 18.564 13.973 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.691 19.655 16.032 1.00 0.00 C ATOM 0 H LEU A 102 120.771 17.602 13.158 1.00 0.00 H new ATOM 0 HA LEU A 102 123.681 17.772 12.477 1.00 0.00 H new ATOM 0 HB2 LEU A 102 123.091 19.754 13.867 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.312 18.718 15.046 1.00 0.00 H new ATOM 0 HG LEU A 102 124.459 17.573 15.512 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.546 18.406 14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.428 17.773 13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.599 19.530 13.468 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.649 19.503 16.530 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.696 20.619 15.524 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.891 19.638 16.772 1.00 0.00 H new ATOM 1579 N ILE A 103 124.000 15.553 13.568 1.00 0.00 N ATOM 1580 CA ILE A 103 124.151 14.191 14.162 1.00 0.00 C ATOM 1581 C ILE A 103 125.640 13.907 14.379 1.00 0.00 C ATOM 1582 O ILE A 103 126.378 13.678 13.441 1.00 0.00 O ATOM 1583 CB ILE A 103 123.563 13.135 13.220 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.039 13.287 13.159 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.912 11.737 13.734 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.475 12.364 12.077 1.00 0.00 C ATOM 0 H ILE A 103 124.746 15.828 12.929 1.00 0.00 H new ATOM 0 HA ILE A 103 123.619 14.150 15.112 1.00 0.00 H new ATOM 0 HB ILE A 103 123.982 13.272 12.223 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.600 13.042 14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.775 14.322 12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.493 10.987 13.063 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.995 11.624 13.773 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.497 11.602 14.733 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.391 12.473 12.035 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.905 12.630 11.111 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.727 11.330 12.313 1.00 0.00 H new ATOM 1598 N SER A 104 126.093 13.926 15.603 1.00 0.00 N ATOM 1599 CA SER A 104 127.537 13.662 15.869 1.00 0.00 C ATOM 1600 C SER A 104 127.724 12.219 16.343 1.00 0.00 C ATOM 1601 O SER A 104 128.829 11.771 16.574 1.00 0.00 O ATOM 1602 CB SER A 104 128.036 14.623 16.949 1.00 0.00 C ATOM 1603 OG SER A 104 127.365 14.345 18.170 1.00 0.00 O ATOM 0 H SER A 104 125.526 14.113 16.430 1.00 0.00 H new ATOM 0 HA SER A 104 128.106 13.813 14.952 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.113 14.515 17.079 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.854 15.654 16.647 1.00 0.00 H new ATOM 0 HG SER A 104 127.683 14.958 18.865 1.00 0.00 H new ATOM 1609 N ASP A 105 126.653 11.490 16.494 1.00 0.00 N ATOM 1610 CA ASP A 105 126.770 10.078 16.955 1.00 0.00 C ATOM 1611 C ASP A 105 126.955 9.148 15.752 1.00 0.00 C ATOM 1612 O ASP A 105 126.572 9.463 14.644 1.00 0.00 O ATOM 1613 CB ASP A 105 125.507 9.686 17.722 1.00 0.00 C ATOM 1614 CG ASP A 105 125.553 10.272 19.132 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.627 10.666 19.555 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.512 10.316 19.767 1.00 0.00 O ATOM 0 H ASP A 105 125.701 11.811 16.318 1.00 0.00 H new ATOM 0 HA ASP A 105 127.636 9.985 17.610 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.624 10.049 17.196 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.424 8.600 17.772 1.00 0.00 H new ATOM 1621 N ASN A 106 127.535 8.000 15.971 1.00 0.00 N ATOM 1622 CA ASN A 106 127.750 7.031 14.854 1.00 0.00 C ATOM 1623 C ASN A 106 126.740 5.888 14.980 1.00 0.00 C ATOM 1624 O ASN A 106 127.034 4.751 14.673 1.00 0.00 O ATOM 1625 CB ASN A 106 129.167 6.460 14.933 1.00 0.00 C ATOM 1626 CG ASN A 106 130.185 7.548 14.589 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.850 8.540 13.972 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.426 7.401 14.966 1.00 0.00 N ATOM 0 H ASN A 106 127.872 7.688 16.882 1.00 0.00 H new ATOM 0 HA ASN A 106 127.617 7.541 13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.358 6.074 15.934 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.270 5.622 14.244 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.115 8.119 14.743 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.706 6.568 15.484 1.00 0.00 H new ATOM 1635 N TRP A 107 125.563 6.173 15.464 1.00 0.00 N ATOM 1636 CA TRP A 107 124.550 5.093 15.645 1.00 0.00 C ATOM 1637 C TRP A 107 124.121 4.524 14.291 1.00 0.00 C ATOM 1638 O TRP A 107 124.316 5.127 13.254 1.00 0.00 O ATOM 1639 CB TRP A 107 123.323 5.654 16.373 1.00 0.00 C ATOM 1640 CG TRP A 107 122.719 6.769 15.576 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.239 8.009 15.460 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.489 6.771 14.797 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.415 8.773 14.660 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.320 8.056 14.224 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.513 5.794 14.532 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.224 8.358 13.419 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.409 6.097 13.721 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.265 7.374 13.166 1.00 0.00 C ATOM 0 H TRP A 107 125.258 7.106 15.742 1.00 0.00 H new ATOM 0 HA TRP A 107 124.997 4.294 16.236 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.587 4.864 16.524 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.610 6.016 17.360 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.155 8.349 15.920 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.593 9.748 14.420 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.614 4.805 14.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.116 9.345 12.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.665 5.340 13.523 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.412 7.599 12.542 1.00 0.00 H new ATOM 1659 N LYS A 108 123.542 3.355 14.305 1.00 0.00 N ATOM 1660 CA LYS A 108 123.090 2.710 13.041 1.00 0.00 C ATOM 1661 C LYS A 108 121.783 1.962 13.303 1.00 0.00 C ATOM 1662 O LYS A 108 121.460 1.644 14.431 1.00 0.00 O ATOM 1663 CB LYS A 108 124.160 1.725 12.563 1.00 0.00 C ATOM 1664 CG LYS A 108 124.340 0.614 13.603 1.00 0.00 C ATOM 1665 CD LYS A 108 125.376 -0.396 13.103 1.00 0.00 C ATOM 1666 CE LYS A 108 126.781 0.197 13.230 1.00 0.00 C ATOM 1667 NZ LYS A 108 127.791 -0.885 13.066 1.00 0.00 N ATOM 0 H LYS A 108 123.361 2.813 15.150 1.00 0.00 H new ATOM 0 HA LYS A 108 122.930 3.468 12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 108 123.870 1.295 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.104 2.246 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.662 1.040 14.553 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.388 0.114 13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.307 -1.318 13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.173 -0.655 12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 108 126.932 0.968 12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.899 0.676 14.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 128.747 -0.484 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.650 -1.606 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 127.682 -1.322 12.129 1.00 0.00 H new ATOM 1681 N PHE A 109 121.034 1.662 12.275 1.00 0.00 N ATOM 1682 CA PHE A 109 119.757 0.917 12.487 1.00 0.00 C ATOM 1683 C PHE A 109 119.407 0.168 11.199 1.00 0.00 C ATOM 1684 O PHE A 109 119.914 0.481 10.138 1.00 0.00 O ATOM 1685 CB PHE A 109 118.640 1.899 12.854 1.00 0.00 C ATOM 1686 CG PHE A 109 118.246 2.714 11.647 1.00 0.00 C ATOM 1687 CD1 PHE A 109 118.958 3.872 11.319 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.158 2.314 10.861 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.583 4.631 10.203 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.782 3.072 9.747 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.495 4.231 9.418 1.00 0.00 C ATOM 0 H PHE A 109 121.248 1.898 11.306 1.00 0.00 H new ATOM 0 HA PHE A 109 119.870 0.203 13.303 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.775 1.353 13.231 1.00 0.00 H new ATOM 0 HB3 PHE A 109 118.974 2.559 13.654 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.796 4.181 11.926 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.609 1.419 11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.133 5.525 9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 109 115.943 2.763 9.141 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.206 4.817 8.558 1.00 0.00 H new ATOM 1701 N PHE A 110 118.565 -0.832 11.270 1.00 0.00 N ATOM 1702 CA PHE A 110 118.233 -1.587 10.029 1.00 0.00 C ATOM 1703 C PHE A 110 116.826 -2.196 10.089 1.00 0.00 C ATOM 1704 O PHE A 110 116.256 -2.390 11.142 1.00 0.00 O ATOM 1705 CB PHE A 110 119.259 -2.709 9.846 1.00 0.00 C ATOM 1706 CG PHE A 110 119.490 -3.406 11.166 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.304 -2.812 12.137 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.895 -4.649 11.417 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.523 -3.458 13.360 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.116 -5.296 12.640 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.930 -4.701 13.609 1.00 0.00 C ATOM 0 H PHE A 110 118.101 -1.153 12.120 1.00 0.00 H new ATOM 0 HA PHE A 110 118.260 -0.892 9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.903 -3.423 9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.197 -2.300 9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.764 -1.854 11.943 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.266 -5.108 10.668 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.149 -2.998 14.110 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.658 -6.254 12.834 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.101 -5.201 14.551 1.00 0.00 H new ATOM 1721 N CYS A 111 116.286 -2.516 8.942 1.00 0.00 N ATOM 1722 CA CYS A 111 114.932 -3.140 8.871 1.00 0.00 C ATOM 1723 C CYS A 111 115.057 -4.446 8.085 1.00 0.00 C ATOM 1724 O CYS A 111 115.983 -4.617 7.321 1.00 0.00 O ATOM 1725 CB CYS A 111 113.966 -2.201 8.149 1.00 0.00 C ATOM 1726 SG CYS A 111 113.644 -0.746 9.177 1.00 0.00 S ATOM 0 H CYS A 111 116.734 -2.369 8.037 1.00 0.00 H new ATOM 0 HA CYS A 111 114.551 -3.331 9.874 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.388 -1.895 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.032 -2.720 7.934 1.00 0.00 H new ATOM 1731 N VAL A 112 114.161 -5.381 8.273 1.00 0.00 N ATOM 1732 CA VAL A 112 114.285 -6.679 7.536 1.00 0.00 C ATOM 1733 C VAL A 112 112.971 -7.074 6.857 1.00 0.00 C ATOM 1734 O VAL A 112 111.894 -6.890 7.387 1.00 0.00 O ATOM 1735 CB VAL A 112 114.692 -7.776 8.517 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.526 -9.143 7.850 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.156 -7.582 8.918 1.00 0.00 C ATOM 0 H VAL A 112 113.357 -5.306 8.897 1.00 0.00 H new ATOM 0 HA VAL A 112 115.042 -6.556 6.761 1.00 0.00 H new ATOM 0 HB VAL A 112 114.060 -7.724 9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.816 -9.927 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.484 -9.283 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.159 -9.195 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.448 -8.364 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.787 -7.636 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.278 -6.608 9.391 1.00 0.00 H new ATOM 1747 N CYS A 113 113.076 -7.665 5.692 1.00 0.00 N ATOM 1748 CA CYS A 113 111.876 -8.148 4.951 1.00 0.00 C ATOM 1749 C CYS A 113 112.095 -9.637 4.663 1.00 0.00 C ATOM 1750 O CYS A 113 113.162 -10.031 4.238 1.00 0.00 O ATOM 1751 CB CYS A 113 111.742 -7.391 3.626 1.00 0.00 C ATOM 1752 SG CYS A 113 111.652 -5.610 3.937 1.00 0.00 S ATOM 0 H CYS A 113 113.962 -7.835 5.217 1.00 0.00 H new ATOM 0 HA CYS A 113 110.971 -7.986 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.593 -7.614 2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.848 -7.722 3.097 1.00 0.00 H new ATOM 1757 N SER A 114 111.129 -10.485 4.907 1.00 0.00 N ATOM 1758 CA SER A 114 111.372 -11.935 4.649 1.00 0.00 C ATOM 1759 C SER A 114 110.072 -12.743 4.691 1.00 0.00 C ATOM 1760 O SER A 114 109.001 -12.231 4.963 1.00 0.00 O ATOM 1761 CB SER A 114 112.315 -12.472 5.725 1.00 0.00 C ATOM 1762 OG SER A 114 111.771 -12.182 7.006 1.00 0.00 O ATOM 0 H SER A 114 110.205 -10.245 5.265 1.00 0.00 H new ATOM 0 HA SER A 114 111.806 -12.037 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.447 -13.548 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.300 -12.017 5.623 1.00 0.00 H new ATOM 0 HG SER A 114 112.370 -12.525 7.701 1.00 0.00 H new ATOM 1768 N LYS A 115 110.188 -14.021 4.436 1.00 0.00 N ATOM 1769 CA LYS A 115 109.012 -14.937 4.473 1.00 0.00 C ATOM 1770 C LYS A 115 109.528 -16.350 4.751 1.00 0.00 C ATOM 1771 O LYS A 115 110.706 -16.620 4.626 1.00 0.00 O ATOM 1772 CB LYS A 115 108.273 -14.935 3.133 1.00 0.00 C ATOM 1773 CG LYS A 115 107.526 -13.615 2.944 1.00 0.00 C ATOM 1774 CD LYS A 115 106.393 -13.816 1.929 1.00 0.00 C ATOM 1775 CE LYS A 115 106.976 -14.215 0.571 1.00 0.00 C ATOM 1776 NZ LYS A 115 105.880 -14.317 -0.433 1.00 0.00 N ATOM 0 H LYS A 115 111.069 -14.476 4.199 1.00 0.00 H new ATOM 0 HA LYS A 115 108.320 -14.605 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.982 -15.080 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.570 -15.767 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.121 -13.273 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.211 -12.843 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.709 -14.588 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.814 -12.898 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.711 -13.477 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.497 -15.169 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.192 -14.911 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.042 -14.744 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.641 -13.367 -0.783 1.00 0.00 H new ATOM 1790 N ASP A 116 108.671 -17.258 5.118 1.00 0.00 N ATOM 1791 CA ASP A 116 109.141 -18.647 5.388 1.00 0.00 C ATOM 1792 C ASP A 116 109.810 -19.205 4.126 1.00 0.00 C ATOM 1793 O ASP A 116 109.470 -18.837 3.019 1.00 0.00 O ATOM 1794 CB ASP A 116 107.949 -19.525 5.774 1.00 0.00 C ATOM 1795 CG ASP A 116 107.448 -19.121 7.163 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.177 -18.432 7.857 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.343 -19.505 7.507 1.00 0.00 O ATOM 0 H ASP A 116 107.671 -17.102 5.243 1.00 0.00 H new ATOM 0 HA ASP A 116 109.859 -18.640 6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.150 -19.415 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.241 -20.575 5.772 1.00 0.00 H new ATOM 1802 N ASN A 117 110.754 -20.094 4.284 1.00 0.00 N ATOM 1803 CA ASN A 117 111.439 -20.676 3.089 1.00 0.00 C ATOM 1804 C ASN A 117 111.779 -19.559 2.095 1.00 0.00 C ATOM 1805 O ASN A 117 111.324 -19.569 0.970 1.00 0.00 O ATOM 1806 CB ASN A 117 110.515 -21.692 2.413 1.00 0.00 C ATOM 1807 CG ASN A 117 111.325 -22.552 1.439 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.451 -22.912 1.721 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.796 -22.897 0.298 1.00 0.00 N ATOM 0 H ASN A 117 111.081 -20.443 5.185 1.00 0.00 H new ATOM 0 HA ASN A 117 112.356 -21.172 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.041 -22.324 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.717 -21.175 1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.327 -23.469 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.851 -22.595 0.062 1.00 0.00 H new ATOM 1816 N GLU A 118 112.582 -18.604 2.492 1.00 0.00 N ATOM 1817 CA GLU A 118 112.941 -17.494 1.558 1.00 0.00 C ATOM 1818 C GLU A 118 114.160 -16.730 2.087 1.00 0.00 C ATOM 1819 O GLU A 118 114.326 -16.557 3.278 1.00 0.00 O ATOM 1820 CB GLU A 118 111.764 -16.517 1.446 1.00 0.00 C ATOM 1821 CG GLU A 118 110.680 -17.089 0.527 1.00 0.00 C ATOM 1822 CD GLU A 118 109.817 -15.949 -0.012 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.084 -14.812 0.338 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.907 -16.234 -0.771 1.00 0.00 O ATOM 0 H GLU A 118 113.003 -18.545 3.419 1.00 0.00 H new ATOM 0 HA GLU A 118 113.172 -17.921 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.347 -16.325 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.113 -15.561 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.138 -17.634 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.062 -17.800 1.075 1.00 0.00 H new ATOM 1831 N LYS A 119 115.013 -16.266 1.209 1.00 0.00 N ATOM 1832 CA LYS A 119 116.215 -15.507 1.662 1.00 0.00 C ATOM 1833 C LYS A 119 115.762 -14.223 2.365 1.00 0.00 C ATOM 1834 O LYS A 119 114.866 -13.543 1.912 1.00 0.00 O ATOM 1835 CB LYS A 119 117.075 -15.146 0.444 1.00 0.00 C ATOM 1836 CG LYS A 119 117.497 -16.420 -0.296 1.00 0.00 C ATOM 1837 CD LYS A 119 118.428 -17.249 0.593 1.00 0.00 C ATOM 1838 CE LYS A 119 119.187 -18.263 -0.263 1.00 0.00 C ATOM 1839 NZ LYS A 119 120.122 -19.039 0.600 1.00 0.00 N ATOM 0 H LYS A 119 114.928 -16.381 0.199 1.00 0.00 H new ATOM 0 HA LYS A 119 116.799 -16.117 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.515 -14.495 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.958 -14.592 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 119 116.617 -17.005 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.002 -16.161 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.131 -16.596 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.850 -17.765 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.486 -18.937 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.741 -17.750 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.639 -19.729 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.798 -18.390 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.582 -19.540 1.334 1.00 0.00 H new ATOM 1853 N LYS A 120 116.369 -13.893 3.473 1.00 0.00 N ATOM 1854 CA LYS A 120 115.968 -12.658 4.210 1.00 0.00 C ATOM 1855 C LYS A 120 116.677 -11.430 3.629 1.00 0.00 C ATOM 1856 O LYS A 120 117.813 -11.496 3.202 1.00 0.00 O ATOM 1857 CB LYS A 120 116.313 -12.806 5.695 1.00 0.00 C ATOM 1858 CG LYS A 120 117.653 -13.532 5.849 1.00 0.00 C ATOM 1859 CD LYS A 120 118.014 -13.626 7.333 1.00 0.00 C ATOM 1860 CE LYS A 120 118.974 -14.799 7.555 1.00 0.00 C ATOM 1861 NZ LYS A 120 118.191 -16.051 7.757 1.00 0.00 N ATOM 0 H LYS A 120 117.126 -14.426 3.901 1.00 0.00 H new ATOM 0 HA LYS A 120 114.892 -12.520 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.366 -11.824 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.527 -13.362 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.590 -14.530 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.433 -12.997 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 120 118.477 -12.696 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.112 -13.763 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 120 119.638 -14.907 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.604 -14.608 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.843 -16.847 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 117.575 -15.945 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 117.608 -16.235 6.916 1.00 0.00 H new ATOM 1875 N LEU A 121 116.002 -10.307 3.613 1.00 0.00 N ATOM 1876 CA LEU A 121 116.621 -9.061 3.067 1.00 0.00 C ATOM 1877 C LEU A 121 116.870 -8.078 4.215 1.00 0.00 C ATOM 1878 O LEU A 121 115.962 -7.728 4.940 1.00 0.00 O ATOM 1879 CB LEU A 121 115.667 -8.424 2.052 1.00 0.00 C ATOM 1880 CG LEU A 121 115.318 -9.440 0.963 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.294 -8.829 0.004 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.582 -9.810 0.184 1.00 0.00 C ATOM 0 H LEU A 121 115.047 -10.200 3.955 1.00 0.00 H new ATOM 0 HA LEU A 121 117.565 -9.303 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.759 -8.088 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.130 -7.544 1.606 1.00 0.00 H new ATOM 0 HG LEU A 121 114.899 -10.334 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.045 -9.553 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.392 -8.564 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.714 -7.934 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.332 -10.534 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.001 -8.915 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.314 -10.245 0.864 1.00 0.00 H new ATOM 1894 N VAL A 122 118.090 -7.634 4.398 1.00 0.00 N ATOM 1895 CA VAL A 122 118.379 -6.682 5.515 1.00 0.00 C ATOM 1896 C VAL A 122 118.698 -5.287 4.968 1.00 0.00 C ATOM 1897 O VAL A 122 119.515 -5.117 4.088 1.00 0.00 O ATOM 1898 CB VAL A 122 119.583 -7.191 6.317 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.072 -6.088 7.261 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.177 -8.426 7.140 1.00 0.00 C ATOM 0 H VAL A 122 118.894 -7.888 3.825 1.00 0.00 H new ATOM 0 HA VAL A 122 117.498 -6.618 6.154 1.00 0.00 H new ATOM 0 HB VAL A 122 120.383 -7.464 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.928 -6.450 7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.367 -5.215 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.270 -5.813 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.036 -8.783 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.374 -8.158 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.833 -9.213 6.469 1.00 0.00 H new ATOM 1910 N PHE A 123 118.065 -4.285 5.511 1.00 0.00 N ATOM 1911 CA PHE A 123 118.326 -2.883 5.071 1.00 0.00 C ATOM 1912 C PHE A 123 119.050 -2.164 6.207 1.00 0.00 C ATOM 1913 O PHE A 123 118.555 -2.113 7.307 1.00 0.00 O ATOM 1914 CB PHE A 123 116.986 -2.197 4.778 1.00 0.00 C ATOM 1915 CG PHE A 123 117.163 -0.698 4.762 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.909 -0.095 3.749 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.564 0.087 5.753 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.065 1.296 3.726 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.717 1.478 5.733 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.468 2.084 4.720 1.00 0.00 C ATOM 0 H PHE A 123 117.369 -4.378 6.251 1.00 0.00 H new ATOM 0 HA PHE A 123 118.937 -2.860 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.598 -2.535 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.253 -2.476 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.367 -0.702 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.983 -0.381 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.645 1.762 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.256 2.083 6.499 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.588 3.157 4.704 1.00 0.00 H new ATOM 1930 N THR A 124 120.223 -1.623 5.972 1.00 0.00 N ATOM 1931 CA THR A 124 120.952 -0.940 7.088 1.00 0.00 C ATOM 1932 C THR A 124 121.601 0.376 6.636 1.00 0.00 C ATOM 1933 O THR A 124 122.143 0.494 5.549 1.00 0.00 O ATOM 1934 CB THR A 124 122.033 -1.884 7.623 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.515 -1.390 8.865 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.186 -1.963 6.626 1.00 0.00 C ATOM 0 H THR A 124 120.701 -1.624 5.071 1.00 0.00 H new ATOM 0 HA THR A 124 120.228 -0.697 7.866 1.00 0.00 H new ATOM 0 HB THR A 124 121.609 -2.878 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.206 -1.993 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.953 -2.635 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.817 -2.340 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.612 -0.970 6.483 1.00 0.00 H new ATOM 1944 N VAL A 125 121.583 1.355 7.505 1.00 0.00 N ATOM 1945 CA VAL A 125 122.221 2.664 7.198 1.00 0.00 C ATOM 1946 C VAL A 125 123.006 3.110 8.435 1.00 0.00 C ATOM 1947 O VAL A 125 122.739 2.661 9.541 1.00 0.00 O ATOM 1948 CB VAL A 125 121.150 3.702 6.852 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.133 3.085 5.889 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.434 4.148 8.128 1.00 0.00 C ATOM 0 H VAL A 125 121.147 1.299 8.425 1.00 0.00 H new ATOM 0 HA VAL A 125 122.889 2.567 6.342 1.00 0.00 H new ATOM 0 HB VAL A 125 121.623 4.564 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.370 3.824 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.640 2.769 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.663 2.222 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.672 4.887 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.963 3.286 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.156 4.589 8.815 1.00 0.00 H new ATOM 1960 N GLU A 126 123.976 3.977 8.272 1.00 0.00 N ATOM 1961 CA GLU A 126 124.778 4.430 9.452 1.00 0.00 C ATOM 1962 C GLU A 126 124.735 5.955 9.573 1.00 0.00 C ATOM 1963 O GLU A 126 124.699 6.670 8.591 1.00 0.00 O ATOM 1964 CB GLU A 126 126.230 3.982 9.274 1.00 0.00 C ATOM 1965 CG GLU A 126 126.310 2.456 9.347 1.00 0.00 C ATOM 1966 CD GLU A 126 127.752 2.005 9.101 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.594 2.864 8.901 1.00 0.00 O ATOM 1968 OE2 GLU A 126 127.988 0.809 9.117 1.00 0.00 O ATOM 0 H GLU A 126 124.246 4.389 7.379 1.00 0.00 H new ATOM 0 HA GLU A 126 124.356 3.991 10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.614 4.331 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.856 4.426 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 126 125.972 2.110 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.647 2.011 8.605 1.00 0.00 H new ATOM 1975 N ALA A 127 124.735 6.456 10.779 1.00 0.00 N ATOM 1976 CA ALA A 127 124.699 7.933 10.976 1.00 0.00 C ATOM 1977 C ALA A 127 125.594 8.307 12.161 1.00 0.00 C ATOM 1978 O ALA A 127 125.259 7.931 13.275 1.00 0.00 O ATOM 1979 CB ALA A 127 123.264 8.382 11.261 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.600 8.957 11.935 1.00 0.00 O ATOM 0 H ALA A 127 124.758 5.905 11.637 1.00 0.00 H new ATOM 0 HA ALA A 127 125.058 8.427 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.242 9.462 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.625 8.115 10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.901 7.889 12.163 1.00 0.00 H new