USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot -71:sc= -0.318 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.508 X(o=0.19,f=-0.27) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.0389 K(o=0.096,f=-0.52) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.0573 X(o=0.096,f=-0.018) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.12 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 47:sc= 0.203 USER MOD Single : A 9 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.31) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 151:sc= -0.126 (180deg=-1.11) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.957 USER MOD Single : A 32 MET CE :methyl 168:sc= -1.81 (180deg=-2.16) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -59:sc= -2.34 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -30:sc= -1.29 USER MOD Single : A 53 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-4.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.25 X(o=0.25,f=-0.00034) USER MOD Single : A 59 THR OG1 : rot 110:sc= -0.144 USER MOD Single : A 63 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00656 USER MOD Single : A 69 MET CE :methyl -151:sc= -7.48! (180deg=-9.69!) USER MOD Single : A 75 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= 0.44 (180deg=0.173) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 51:sc= 0.733 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.154 9.918 14.273 1.00 0.00 N ATOM 2 CA GLY A 1 -10.108 8.432 14.353 1.00 0.00 C ATOM 3 C GLY A 1 -8.748 7.915 14.779 1.00 0.00 C ATOM 4 O GLY A 1 -7.788 7.968 14.008 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.104 10.221 13.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.936 10.323 15.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.454 10.250 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.862 8.086 15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.365 8.011 13.381 1.00 0.00 H new ATOM 10 N SER A 2 -8.664 7.415 16.006 1.00 0.00 N ATOM 11 CA SER A 2 -7.411 6.888 16.532 1.00 0.00 C ATOM 12 C SER A 2 -7.663 5.681 17.432 1.00 0.00 C ATOM 13 O SER A 2 -8.147 5.821 18.555 1.00 0.00 O ATOM 14 CB SER A 2 -6.664 7.971 17.312 1.00 0.00 C ATOM 15 OG SER A 2 -7.330 8.279 18.525 1.00 0.00 O ATOM 0 H SER A 2 -9.449 7.363 16.655 1.00 0.00 H new ATOM 0 HA SER A 2 -6.799 6.569 15.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.650 7.635 17.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.580 8.870 16.702 1.00 0.00 H new ATOM 0 HG SER A 2 -7.970 7.568 18.736 1.00 0.00 H new ATOM 21 N SER A 3 -7.334 4.496 16.929 1.00 0.00 N ATOM 22 CA SER A 3 -7.525 3.264 17.686 1.00 0.00 C ATOM 23 C SER A 3 -6.572 3.204 18.876 1.00 0.00 C ATOM 24 O SER A 3 -5.358 3.094 18.706 1.00 0.00 O ATOM 25 CB SER A 3 -7.309 2.048 16.783 1.00 0.00 C ATOM 26 OG SER A 3 -7.878 0.882 17.354 1.00 0.00 O ATOM 0 H SER A 3 -6.934 4.363 16.000 1.00 0.00 H new ATOM 0 HA SER A 3 -8.548 3.252 18.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.755 2.233 15.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.242 1.895 16.623 1.00 0.00 H new ATOM 0 HG SER A 3 -7.728 0.119 16.757 1.00 0.00 H new ATOM 32 N GLY A 4 -7.131 3.276 20.079 1.00 0.00 N ATOM 33 CA GLY A 4 -6.318 3.228 21.280 1.00 0.00 C ATOM 34 C GLY A 4 -6.638 4.354 22.243 1.00 0.00 C ATOM 35 O GLY A 4 -7.262 5.345 21.865 1.00 0.00 O ATOM 0 H GLY A 4 -8.133 3.367 20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.471 2.272 21.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.265 3.278 21.004 1.00 0.00 H new ATOM 39 N SER A 5 -6.211 4.201 23.493 1.00 0.00 N ATOM 40 CA SER A 5 -6.456 5.212 24.514 1.00 0.00 C ATOM 41 C SER A 5 -5.143 5.803 25.021 1.00 0.00 C ATOM 42 O SER A 5 -4.969 7.021 25.048 1.00 0.00 O ATOM 43 CB SER A 5 -7.242 4.610 25.681 1.00 0.00 C ATOM 44 OG SER A 5 -8.190 5.534 26.187 1.00 0.00 O ATOM 0 H SER A 5 -5.694 3.386 23.822 1.00 0.00 H new ATOM 0 HA SER A 5 -7.044 6.012 24.064 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.752 3.705 25.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.554 4.318 26.475 1.00 0.00 H new ATOM 0 HG SER A 5 -8.680 5.125 26.931 1.00 0.00 H new ATOM 50 N SER A 6 -4.224 4.931 25.420 1.00 0.00 N ATOM 51 CA SER A 6 -2.927 5.367 25.926 1.00 0.00 C ATOM 52 C SER A 6 -1.921 5.510 24.789 1.00 0.00 C ATOM 53 O SER A 6 -1.363 4.522 24.312 1.00 0.00 O ATOM 54 CB SER A 6 -2.401 4.375 26.966 1.00 0.00 C ATOM 55 OG SER A 6 -2.522 3.040 26.505 1.00 0.00 O ATOM 0 H SER A 6 -4.352 3.919 25.403 1.00 0.00 H new ATOM 0 HA SER A 6 -3.058 6.341 26.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.356 4.594 27.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.954 4.493 27.898 1.00 0.00 H new ATOM 0 HG SER A 6 -2.189 2.980 25.585 1.00 0.00 H new ATOM 61 N GLY A 7 -1.693 6.746 24.359 1.00 0.00 N ATOM 62 CA GLY A 7 -0.755 6.997 23.281 1.00 0.00 C ATOM 63 C GLY A 7 -1.283 7.995 22.271 1.00 0.00 C ATOM 64 O GLY A 7 -2.452 7.940 21.889 1.00 0.00 O ATOM 0 H GLY A 7 -2.142 7.580 24.738 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.181 7.368 23.698 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.529 6.058 22.775 1.00 0.00 H new ATOM 68 N LEU A 8 -0.421 8.907 21.835 1.00 0.00 N ATOM 69 CA LEU A 8 -0.807 9.921 20.862 1.00 0.00 C ATOM 70 C LEU A 8 -1.934 10.794 21.404 1.00 0.00 C ATOM 71 O LEU A 8 -3.103 10.408 21.370 1.00 0.00 O ATOM 72 CB LEU A 8 -1.243 9.260 19.552 1.00 0.00 C ATOM 73 CG LEU A 8 -0.176 8.398 18.876 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.815 7.210 18.174 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.635 9.228 17.893 1.00 0.00 C ATOM 0 H LEU A 8 0.550 8.964 22.141 1.00 0.00 H new ATOM 0 HA LEU A 8 0.059 10.555 20.671 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.118 8.640 19.749 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.554 10.039 18.856 1.00 0.00 H new ATOM 0 HG LEU A 8 0.498 8.019 19.644 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.040 6.608 17.699 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.351 6.602 18.903 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.513 7.567 17.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.390 8.599 17.421 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.027 9.636 17.129 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.124 10.045 18.423 1.00 0.00 H new ATOM 87 N GLN A 9 -1.576 11.972 21.903 1.00 0.00 N ATOM 88 CA GLN A 9 -2.556 12.900 22.452 1.00 0.00 C ATOM 89 C GLN A 9 -3.480 13.426 21.358 1.00 0.00 C ATOM 90 O GLN A 9 -4.652 13.053 21.289 1.00 0.00 O ATOM 91 CB GLN A 9 -1.853 14.068 23.146 1.00 0.00 C ATOM 92 CG GLN A 9 -1.365 13.739 24.547 1.00 0.00 C ATOM 93 CD GLN A 9 -1.430 14.931 25.482 1.00 0.00 C ATOM 94 OE1 GLN A 9 -2.458 15.598 25.586 1.00 0.00 O ATOM 95 NE2 GLN A 9 -0.325 15.206 26.167 1.00 0.00 N ATOM 0 H GLN A 9 -0.613 12.307 21.938 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.158 12.361 23.184 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.004 14.382 22.539 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.538 14.914 23.198 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.967 12.928 24.956 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.338 13.379 24.495 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.506 14.626 26.050 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.307 15.997 26.810 1.00 0.00 H new ATOM 104 N GLN A 10 -2.945 14.292 20.505 1.00 0.00 N ATOM 105 CA GLN A 10 -3.721 14.869 19.413 1.00 0.00 C ATOM 106 C GLN A 10 -2.846 15.759 18.536 1.00 0.00 C ATOM 107 O GLN A 10 -1.778 16.205 18.955 1.00 0.00 O ATOM 108 CB GLN A 10 -4.901 15.671 19.966 1.00 0.00 C ATOM 109 CG GLN A 10 -6.252 15.198 19.454 1.00 0.00 C ATOM 110 CD GLN A 10 -7.128 16.339 18.975 1.00 0.00 C ATOM 111 OE1 GLN A 10 -7.427 16.450 17.787 1.00 0.00 O ATOM 112 NE2 GLN A 10 -7.544 17.195 19.902 1.00 0.00 N ATOM 0 H GLN A 10 -1.977 14.610 20.548 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.104 14.053 18.800 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.893 15.610 21.054 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.770 16.721 19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.100 14.494 18.636 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.768 14.658 20.248 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.271 17.064 20.876 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.136 17.983 19.640 1.00 0.00 H new ATOM 121 N GLN A 11 -3.306 16.013 17.314 1.00 0.00 N ATOM 122 CA GLN A 11 -2.566 16.850 16.378 1.00 0.00 C ATOM 123 C GLN A 11 -1.197 16.249 16.075 1.00 0.00 C ATOM 124 O GLN A 11 -0.900 15.123 16.475 1.00 0.00 O ATOM 125 CB GLN A 11 -2.402 18.263 16.941 1.00 0.00 C ATOM 126 CG GLN A 11 -3.704 18.879 17.427 1.00 0.00 C ATOM 127 CD GLN A 11 -4.730 19.022 16.320 1.00 0.00 C ATOM 128 OE1 GLN A 11 -4.484 19.685 15.312 1.00 0.00 O ATOM 129 NE2 GLN A 11 -5.889 18.400 16.503 1.00 0.00 N ATOM 0 H GLN A 11 -4.187 15.651 16.950 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.135 16.901 15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.692 18.236 17.767 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.971 18.904 16.172 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.118 18.262 18.224 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.500 19.860 17.857 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.050 17.861 17.354 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.618 18.461 15.792 1.00 0.00 H new ATOM 138 N GLU A 12 -0.366 17.007 15.367 1.00 0.00 N ATOM 139 CA GLU A 12 0.971 16.549 15.011 1.00 0.00 C ATOM 140 C GLU A 12 0.902 15.292 14.148 1.00 0.00 C ATOM 141 O GLU A 12 1.710 14.375 14.298 1.00 0.00 O ATOM 142 CB GLU A 12 1.793 16.280 16.275 1.00 0.00 C ATOM 143 CG GLU A 12 2.892 17.304 16.514 1.00 0.00 C ATOM 144 CD GLU A 12 2.485 18.377 17.504 1.00 0.00 C ATOM 145 OE1 GLU A 12 2.540 18.112 18.723 1.00 0.00 O ATOM 146 OE2 GLU A 12 2.111 19.483 17.061 1.00 0.00 O ATOM 0 H GLU A 12 -0.596 17.941 15.029 1.00 0.00 H new ATOM 0 HA GLU A 12 1.459 17.334 14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.126 16.267 17.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.240 15.289 16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.783 16.795 16.881 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.160 17.772 15.567 1.00 0.00 H new ATOM 153 N GLU A 13 -0.069 15.259 13.240 1.00 0.00 N ATOM 154 CA GLU A 13 -0.245 14.117 12.350 1.00 0.00 C ATOM 155 C GLU A 13 0.374 14.392 10.984 1.00 0.00 C ATOM 156 O GLU A 13 -0.010 15.337 10.297 1.00 0.00 O ATOM 157 CB GLU A 13 -1.732 13.791 12.195 1.00 0.00 C ATOM 158 CG GLU A 13 -2.024 12.301 12.121 1.00 0.00 C ATOM 159 CD GLU A 13 -2.028 11.777 10.699 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.858 12.250 9.895 1.00 0.00 O ATOM 161 OE2 GLU A 13 -1.203 10.892 10.390 1.00 0.00 O ATOM 0 H GLU A 13 -0.745 16.010 13.102 1.00 0.00 H new ATOM 0 HA GLU A 13 0.263 13.260 12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.279 14.219 13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.109 14.272 11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.277 11.759 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.992 12.101 12.581 1.00 0.00 H new ATOM 168 N GLU A 14 1.335 13.559 10.597 1.00 0.00 N ATOM 169 CA GLU A 14 2.007 13.712 9.312 1.00 0.00 C ATOM 170 C GLU A 14 1.080 13.330 8.164 1.00 0.00 C ATOM 171 O GLU A 14 0.339 12.350 8.250 1.00 0.00 O ATOM 172 CB GLU A 14 3.273 12.854 9.270 1.00 0.00 C ATOM 173 CG GLU A 14 4.303 13.339 8.263 1.00 0.00 C ATOM 174 CD GLU A 14 5.150 14.476 8.797 1.00 0.00 C ATOM 175 OE1 GLU A 14 5.902 14.251 9.768 1.00 0.00 O ATOM 176 OE2 GLU A 14 5.062 15.593 8.244 1.00 0.00 O ATOM 0 H GLU A 14 1.665 12.772 11.155 1.00 0.00 H new ATOM 0 HA GLU A 14 2.283 14.760 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.725 12.840 10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.998 11.827 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.951 12.508 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.794 13.665 7.356 1.00 0.00 H new ATOM 183 N THR A 15 1.127 14.108 7.087 1.00 0.00 N ATOM 184 CA THR A 15 0.292 13.851 5.920 1.00 0.00 C ATOM 185 C THR A 15 1.019 12.967 4.909 1.00 0.00 C ATOM 186 O THR A 15 0.389 12.295 4.093 1.00 0.00 O ATOM 187 CB THR A 15 -0.117 15.168 5.259 1.00 0.00 C ATOM 188 OG1 THR A 15 0.902 16.141 5.408 1.00 0.00 O ATOM 189 CG2 THR A 15 -1.395 15.751 5.826 1.00 0.00 C ATOM 0 H THR A 15 1.735 14.922 6.999 1.00 0.00 H new ATOM 0 HA THR A 15 -0.602 13.326 6.256 1.00 0.00 H new ATOM 0 HB THR A 15 -0.282 14.926 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.623 16.976 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.628 16.684 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.212 15.044 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.265 15.945 6.891 1.00 0.00 H new ATOM 197 N TYR A 16 2.348 12.971 4.970 1.00 0.00 N ATOM 198 CA TYR A 16 3.158 12.170 4.060 1.00 0.00 C ATOM 199 C TYR A 16 2.929 12.593 2.612 1.00 0.00 C ATOM 200 O TYR A 16 2.300 11.874 1.835 1.00 0.00 O ATOM 201 CB TYR A 16 2.838 10.683 4.227 1.00 0.00 C ATOM 202 CG TYR A 16 3.365 10.091 5.515 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.655 9.579 5.588 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.575 10.044 6.656 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.141 9.036 6.762 1.00 0.00 C ATOM 206 CE2 TYR A 16 3.054 9.502 7.834 1.00 0.00 C ATOM 207 CZ TYR A 16 4.338 9.001 7.881 1.00 0.00 C ATOM 208 OH TYR A 16 4.819 8.461 9.052 1.00 0.00 O ATOM 0 H TYR A 16 2.886 13.520 5.640 1.00 0.00 H new ATOM 0 HA TYR A 16 4.206 12.336 4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.757 10.546 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.258 10.133 3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.288 9.606 4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.570 10.437 6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.145 8.641 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.426 9.471 8.712 1.00 0.00 H new ATOM 0 HH TYR A 16 4.128 8.514 9.745 1.00 0.00 H new ATOM 218 N ALA A 17 3.443 13.766 2.256 1.00 0.00 N ATOM 219 CA ALA A 17 3.295 14.286 0.902 1.00 0.00 C ATOM 220 C ALA A 17 4.562 14.058 0.085 1.00 0.00 C ATOM 221 O ALA A 17 4.882 14.835 -0.814 1.00 0.00 O ATOM 222 CB ALA A 17 2.949 15.767 0.940 1.00 0.00 C ATOM 0 H ALA A 17 3.966 14.374 2.887 1.00 0.00 H new ATOM 0 HA ALA A 17 2.480 13.746 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.842 16.142 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.012 15.908 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.745 16.314 1.446 1.00 0.00 H new ATOM 228 N ASP A 18 5.281 12.986 0.404 1.00 0.00 N ATOM 229 CA ASP A 18 6.514 12.655 -0.301 1.00 0.00 C ATOM 230 C ASP A 18 6.688 11.144 -0.416 1.00 0.00 C ATOM 231 O ASP A 18 7.811 10.639 -0.441 1.00 0.00 O ATOM 232 CB ASP A 18 7.718 13.266 0.420 1.00 0.00 C ATOM 233 CG ASP A 18 8.003 14.685 -0.031 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.411 14.866 -1.198 1.00 0.00 O ATOM 235 OD2 ASP A 18 7.818 15.615 0.781 1.00 0.00 O ATOM 0 H ASP A 18 5.031 12.332 1.146 1.00 0.00 H new ATOM 0 HA ASP A 18 6.451 13.072 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.536 13.259 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.597 12.647 0.241 1.00 0.00 H new ATOM 240 N ALA A 19 5.571 10.429 -0.484 1.00 0.00 N ATOM 241 CA ALA A 19 5.600 8.976 -0.596 1.00 0.00 C ATOM 242 C ALA A 19 5.271 8.528 -2.017 1.00 0.00 C ATOM 243 O ALA A 19 5.143 9.351 -2.924 1.00 0.00 O ATOM 244 CB ALA A 19 4.630 8.350 0.396 1.00 0.00 C ATOM 0 H ALA A 19 4.634 10.832 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 19 6.609 8.638 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.662 7.265 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.912 8.634 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.620 8.702 0.189 1.00 0.00 H new ATOM 250 N CYS A 20 5.133 7.220 -2.202 1.00 0.00 N ATOM 251 CA CYS A 20 4.818 6.663 -3.512 1.00 0.00 C ATOM 252 C CYS A 20 3.360 6.223 -3.580 1.00 0.00 C ATOM 253 O CYS A 20 2.631 6.300 -2.592 1.00 0.00 O ATOM 254 CB CYS A 20 5.735 5.477 -3.818 1.00 0.00 C ATOM 255 SG CYS A 20 7.267 5.929 -4.666 1.00 0.00 S ATOM 0 H CYS A 20 5.234 6.526 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 20 4.979 7.441 -4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.984 4.973 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.191 4.759 -4.432 1.00 0.00 H new ATOM 0 HG CYS A 20 7.976 4.861 -4.879 1.00 0.00 H new ATOM 261 N ASP A 21 2.940 5.763 -4.754 1.00 0.00 N ATOM 262 CA ASP A 21 1.567 5.312 -4.951 1.00 0.00 C ATOM 263 C ASP A 21 1.382 3.887 -4.438 1.00 0.00 C ATOM 264 O ASP A 21 0.298 3.513 -3.990 1.00 0.00 O ATOM 265 CB ASP A 21 1.193 5.385 -6.433 1.00 0.00 C ATOM 266 CG ASP A 21 -0.243 5.825 -6.646 1.00 0.00 C ATOM 267 OD1 ASP A 21 -1.059 5.658 -5.716 1.00 0.00 O ATOM 268 OD2 ASP A 21 -0.549 6.339 -7.742 1.00 0.00 O ATOM 0 H ASP A 21 3.530 5.693 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 21 0.910 5.971 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.862 6.080 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.342 4.407 -6.891 1.00 0.00 H new ATOM 273 N GLU A 22 2.448 3.096 -4.505 1.00 0.00 N ATOM 274 CA GLU A 22 2.403 1.712 -4.046 1.00 0.00 C ATOM 275 C GLU A 22 2.088 1.642 -2.555 1.00 0.00 C ATOM 276 O GLU A 22 1.452 0.697 -2.089 1.00 0.00 O ATOM 277 CB GLU A 22 3.733 1.013 -4.336 1.00 0.00 C ATOM 278 CG GLU A 22 3.585 -0.267 -5.143 1.00 0.00 C ATOM 279 CD GLU A 22 3.483 -0.008 -6.634 1.00 0.00 C ATOM 280 OE1 GLU A 22 2.904 1.029 -7.018 1.00 0.00 O ATOM 281 OE2 GLU A 22 3.983 -0.843 -7.417 1.00 0.00 O ATOM 0 H GLU A 22 3.353 3.389 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 22 1.608 1.201 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.385 1.700 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.226 0.782 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.439 -0.916 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.696 -0.802 -4.809 1.00 0.00 H new ATOM 288 N PHE A 23 2.538 2.648 -1.813 1.00 0.00 N ATOM 289 CA PHE A 23 2.304 2.700 -0.374 1.00 0.00 C ATOM 290 C PHE A 23 0.967 3.365 -0.064 1.00 0.00 C ATOM 291 O PHE A 23 0.291 3.003 0.899 1.00 0.00 O ATOM 292 CB PHE A 23 3.436 3.458 0.321 1.00 0.00 C ATOM 293 CG PHE A 23 4.801 2.902 0.029 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.029 1.536 0.068 1.00 0.00 C ATOM 295 CD2 PHE A 23 5.854 3.746 -0.283 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.284 1.021 -0.200 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.111 3.237 -0.551 1.00 0.00 C ATOM 298 CZ PHE A 23 7.326 1.873 -0.510 1.00 0.00 C ATOM 0 H PHE A 23 3.066 3.438 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 23 2.277 1.677 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.405 4.503 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.268 3.438 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.217 0.866 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.691 4.813 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.449 -0.046 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.924 3.905 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.307 1.474 -0.720 1.00 0.00 H new ATOM 308 N LEU A 24 0.592 4.341 -0.885 1.00 0.00 N ATOM 309 CA LEU A 24 -0.664 5.057 -0.698 1.00 0.00 C ATOM 310 C LEU A 24 -1.856 4.143 -0.959 1.00 0.00 C ATOM 311 O LEU A 24 -1.872 3.391 -1.935 1.00 0.00 O ATOM 312 CB LEU A 24 -0.725 6.272 -1.625 1.00 0.00 C ATOM 313 CG LEU A 24 0.120 7.468 -1.182 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.250 8.477 -2.312 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.488 8.120 0.051 1.00 0.00 C ATOM 0 H LEU A 24 1.140 4.654 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.710 5.396 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.402 5.967 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.763 6.592 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 24 1.117 7.111 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.854 9.321 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.729 8.004 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.740 8.831 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.125 8.969 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.496 8.464 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.529 7.395 0.863 1.00 0.00 H new ATOM 327 N ASP A 25 -2.853 4.212 -0.083 1.00 0.00 N ATOM 328 CA ASP A 25 -4.051 3.392 -0.221 1.00 0.00 C ATOM 329 C ASP A 25 -4.840 3.790 -1.467 1.00 0.00 C ATOM 330 O ASP A 25 -4.925 4.971 -1.804 1.00 0.00 O ATOM 331 CB ASP A 25 -4.931 3.527 1.023 1.00 0.00 C ATOM 332 CG ASP A 25 -5.522 2.202 1.462 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.777 1.381 2.038 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.729 1.984 1.231 1.00 0.00 O ATOM 0 H ASP A 25 -2.855 4.828 0.730 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.742 2.352 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.341 3.946 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.738 4.231 0.819 1.00 0.00 H new ATOM 339 N PRO A 26 -5.431 2.808 -2.171 1.00 0.00 N ATOM 340 CA PRO A 26 -6.214 3.071 -3.383 1.00 0.00 C ATOM 341 C PRO A 26 -7.522 3.796 -3.085 1.00 0.00 C ATOM 342 O PRO A 26 -8.057 4.505 -3.938 1.00 0.00 O ATOM 343 CB PRO A 26 -6.494 1.672 -3.937 1.00 0.00 C ATOM 344 CG PRO A 26 -6.419 0.772 -2.753 1.00 0.00 C ATOM 345 CD PRO A 26 -5.382 1.371 -1.843 1.00 0.00 C ATOM 0 HA PRO A 26 -5.681 3.721 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.475 1.623 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.761 1.392 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.385 0.704 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.141 -0.240 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.615 1.190 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.394 0.950 -2.027 1.00 0.00 H new ATOM 353 N ILE A 27 -8.033 3.613 -1.872 1.00 0.00 N ATOM 354 CA ILE A 27 -9.280 4.250 -1.465 1.00 0.00 C ATOM 355 C ILE A 27 -9.024 5.386 -0.480 1.00 0.00 C ATOM 356 O ILE A 27 -9.438 6.523 -0.707 1.00 0.00 O ATOM 357 CB ILE A 27 -10.244 3.238 -0.820 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.366 1.987 -1.693 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.610 3.872 -0.600 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.952 0.797 -0.964 1.00 0.00 C ATOM 0 H ILE A 27 -7.603 3.029 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.737 4.652 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.841 2.944 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.989 2.216 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.380 1.721 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.280 3.143 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.509 4.735 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.021 4.192 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.009 -0.054 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.318 0.542 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.952 1.045 -0.608 1.00 0.00 H new ATOM 372 N MET A 28 -8.341 5.069 0.614 1.00 0.00 N ATOM 373 CA MET A 28 -8.032 6.061 1.638 1.00 0.00 C ATOM 374 C MET A 28 -7.058 7.111 1.111 1.00 0.00 C ATOM 375 O MET A 28 -7.035 8.245 1.590 1.00 0.00 O ATOM 376 CB MET A 28 -7.445 5.381 2.875 1.00 0.00 C ATOM 377 CG MET A 28 -8.498 4.890 3.856 1.00 0.00 C ATOM 378 SD MET A 28 -8.956 6.144 5.068 1.00 0.00 S ATOM 379 CE MET A 28 -10.408 6.850 4.292 1.00 0.00 C ATOM 0 H MET A 28 -7.990 4.133 0.815 1.00 0.00 H new ATOM 0 HA MET A 28 -8.961 6.562 1.911 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.833 4.536 2.559 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.783 6.081 3.385 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.386 4.581 3.305 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.122 4.008 4.375 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.083 7.230 5.060 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.109 7.667 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.917 6.083 3.708 1.00 0.00 H new ATOM 389 N SER A 29 -6.254 6.729 0.123 1.00 0.00 N ATOM 390 CA SER A 29 -5.279 7.643 -0.463 1.00 0.00 C ATOM 391 C SER A 29 -4.280 8.117 0.588 1.00 0.00 C ATOM 392 O SER A 29 -3.776 9.238 0.519 1.00 0.00 O ATOM 393 CB SER A 29 -5.987 8.845 -1.090 1.00 0.00 C ATOM 394 OG SER A 29 -6.594 8.494 -2.321 1.00 0.00 O ATOM 0 H SER A 29 -6.258 5.795 -0.288 1.00 0.00 H new ATOM 0 HA SER A 29 -4.735 7.106 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.743 9.224 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.270 9.650 -1.251 1.00 0.00 H new ATOM 0 HG SER A 29 -7.041 9.279 -2.701 1.00 0.00 H new ATOM 400 N THR A 30 -3.998 7.255 1.560 1.00 0.00 N ATOM 401 CA THR A 30 -3.060 7.585 2.626 1.00 0.00 C ATOM 402 C THR A 30 -1.999 6.500 2.772 1.00 0.00 C ATOM 403 O THR A 30 -2.070 5.457 2.122 1.00 0.00 O ATOM 404 CB THR A 30 -3.803 7.768 3.950 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.780 6.757 4.120 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.504 9.105 4.064 1.00 0.00 C ATOM 0 H THR A 30 -4.406 6.323 1.631 1.00 0.00 H new ATOM 0 HA THR A 30 -2.565 8.520 2.363 1.00 0.00 H new ATOM 0 HB THR A 30 -3.035 7.711 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.524 7.107 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.011 9.169 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.771 9.908 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.235 9.202 3.262 1.00 0.00 H new ATOM 414 N LEU A 31 -1.015 6.751 3.630 1.00 0.00 N ATOM 415 CA LEU A 31 0.061 5.795 3.863 1.00 0.00 C ATOM 416 C LEU A 31 -0.492 4.466 4.367 1.00 0.00 C ATOM 417 O LEU A 31 -1.385 4.436 5.215 1.00 0.00 O ATOM 418 CB LEU A 31 1.064 6.360 4.871 1.00 0.00 C ATOM 419 CG LEU A 31 2.447 5.708 4.842 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.095 5.891 3.478 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.332 6.288 5.935 1.00 0.00 C ATOM 0 H LEU A 31 -0.941 7.610 4.176 1.00 0.00 H new ATOM 0 HA LEU A 31 0.570 5.620 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.179 7.428 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.649 6.252 5.873 1.00 0.00 H new ATOM 0 HG LEU A 31 2.328 4.640 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.078 5.421 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.470 5.429 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.201 6.955 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.312 5.813 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.443 7.361 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.875 6.106 6.908 1.00 0.00 H new ATOM 433 N MET A 32 0.043 3.369 3.841 1.00 0.00 N ATOM 434 CA MET A 32 -0.398 2.038 4.237 1.00 0.00 C ATOM 435 C MET A 32 0.626 1.375 5.151 1.00 0.00 C ATOM 436 O MET A 32 1.712 0.993 4.710 1.00 0.00 O ATOM 437 CB MET A 32 -0.637 1.166 3.002 1.00 0.00 C ATOM 438 CG MET A 32 -1.880 1.552 2.216 1.00 0.00 C ATOM 439 SD MET A 32 -2.273 0.367 0.915 1.00 0.00 S ATOM 440 CE MET A 32 -0.870 0.583 -0.176 1.00 0.00 C ATOM 0 H MET A 32 0.783 3.376 3.139 1.00 0.00 H new ATOM 0 HA MET A 32 -1.334 2.142 4.785 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.232 1.232 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.723 0.125 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.727 1.631 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.734 2.537 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.854 -0.221 -0.912 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.952 1.542 -0.688 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.051 0.560 0.407 1.00 0.00 H new ATOM 450 N CYS A 33 0.275 1.239 6.425 1.00 0.00 N ATOM 451 CA CYS A 33 1.165 0.619 7.402 1.00 0.00 C ATOM 452 C CYS A 33 1.108 -0.901 7.301 1.00 0.00 C ATOM 453 O CYS A 33 2.136 -1.576 7.358 1.00 0.00 O ATOM 454 CB CYS A 33 0.790 1.063 8.817 1.00 0.00 C ATOM 455 SG CYS A 33 1.659 2.544 9.381 1.00 0.00 S ATOM 0 H CYS A 33 -0.619 1.549 6.806 1.00 0.00 H new ATOM 0 HA CYS A 33 2.184 0.941 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.283 1.248 8.856 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.998 0.247 9.509 1.00 0.00 H new ATOM 0 HG CYS A 33 1.273 2.841 10.586 1.00 0.00 H new ATOM 461 N ASP A 34 -0.100 -1.434 7.150 1.00 0.00 N ATOM 462 CA ASP A 34 -0.293 -2.875 7.039 1.00 0.00 C ATOM 463 C ASP A 34 -1.152 -3.217 5.824 1.00 0.00 C ATOM 464 O ASP A 34 -2.349 -3.472 5.952 1.00 0.00 O ATOM 465 CB ASP A 34 -0.946 -3.422 8.310 1.00 0.00 C ATOM 466 CG ASP A 34 0.023 -3.491 9.474 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.225 -3.723 9.233 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.422 -3.311 10.628 1.00 0.00 O ATOM 0 H ASP A 34 -0.961 -0.889 7.102 1.00 0.00 H new ATOM 0 HA ASP A 34 0.685 -3.339 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.792 -2.790 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.343 -4.418 8.112 1.00 0.00 H new ATOM 473 N PRO A 35 -0.548 -3.226 4.623 1.00 0.00 N ATOM 474 CA PRO A 35 -1.264 -3.538 3.382 1.00 0.00 C ATOM 475 C PRO A 35 -1.668 -5.005 3.299 1.00 0.00 C ATOM 476 O PRO A 35 -0.817 -5.892 3.247 1.00 0.00 O ATOM 477 CB PRO A 35 -0.246 -3.202 2.289 1.00 0.00 C ATOM 478 CG PRO A 35 1.080 -3.347 2.950 1.00 0.00 C ATOM 479 CD PRO A 35 0.877 -2.932 4.381 1.00 0.00 C ATOM 0 HA PRO A 35 -2.197 -2.981 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.341 -3.877 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.391 -2.190 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.436 -4.375 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.829 -2.721 2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.523 -3.492 5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.100 -1.875 4.528 1.00 0.00 H new ATOM 487 N VAL A 36 -2.974 -5.254 3.286 1.00 0.00 N ATOM 488 CA VAL A 36 -3.492 -6.615 3.207 1.00 0.00 C ATOM 489 C VAL A 36 -3.904 -6.963 1.782 1.00 0.00 C ATOM 490 O VAL A 36 -4.626 -6.207 1.131 1.00 0.00 O ATOM 491 CB VAL A 36 -4.701 -6.811 4.141 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.251 -6.889 5.591 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.713 -5.691 3.948 1.00 0.00 C ATOM 0 H VAL A 36 -3.692 -4.531 3.329 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.687 -7.279 3.523 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.184 -7.754 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.120 -7.027 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.569 -7.730 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.741 -5.965 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.560 -5.847 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.244 -4.734 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.061 -5.689 2.915 1.00 0.00 H new ATOM 503 N VAL A 37 -3.442 -8.112 1.301 1.00 0.00 N ATOM 504 CA VAL A 37 -3.764 -8.560 -0.048 1.00 0.00 C ATOM 505 C VAL A 37 -5.110 -9.274 -0.083 1.00 0.00 C ATOM 506 O VAL A 37 -5.306 -10.284 0.592 1.00 0.00 O ATOM 507 CB VAL A 37 -2.681 -9.506 -0.601 1.00 0.00 C ATOM 508 CG1 VAL A 37 -2.928 -9.798 -2.074 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.296 -8.912 -0.392 1.00 0.00 C ATOM 0 H VAL A 37 -2.843 -8.750 1.826 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.811 -7.668 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.733 -10.448 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.153 -10.468 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.903 -10.270 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.905 -8.866 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.544 -9.594 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.228 -7.956 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.122 -8.760 0.673 1.00 0.00 H new ATOM 519 N LEU A 38 -6.035 -8.743 -0.876 1.00 0.00 N ATOM 520 CA LEU A 38 -7.364 -9.332 -0.999 1.00 0.00 C ATOM 521 C LEU A 38 -7.354 -10.493 -1.993 1.00 0.00 C ATOM 522 O LEU A 38 -6.979 -10.320 -3.152 1.00 0.00 O ATOM 523 CB LEU A 38 -8.371 -8.271 -1.447 1.00 0.00 C ATOM 524 CG LEU A 38 -8.231 -6.913 -0.757 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.954 -5.835 -1.550 1.00 0.00 C ATOM 526 CD2 LEU A 38 -8.767 -6.981 0.665 1.00 0.00 C ATOM 0 H LEU A 38 -5.889 -7.907 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.659 -9.716 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.270 -8.127 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.378 -8.650 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.173 -6.655 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.844 -4.876 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.525 -5.770 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.012 -6.086 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.660 -6.006 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.820 -7.260 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.206 -7.725 1.230 1.00 0.00 H new ATOM 538 N PRO A 39 -7.764 -11.696 -1.555 1.00 0.00 N ATOM 539 CA PRO A 39 -7.793 -12.880 -2.420 1.00 0.00 C ATOM 540 C PRO A 39 -8.897 -12.813 -3.475 1.00 0.00 C ATOM 541 O PRO A 39 -8.979 -13.674 -4.351 1.00 0.00 O ATOM 542 CB PRO A 39 -8.059 -14.027 -1.444 1.00 0.00 C ATOM 543 CG PRO A 39 -8.782 -13.393 -0.307 1.00 0.00 C ATOM 544 CD PRO A 39 -8.227 -12.001 -0.187 1.00 0.00 C ATOM 0 HA PRO A 39 -6.868 -12.987 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.658 -14.811 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.129 -14.490 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.856 -13.370 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.629 -13.955 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.986 -11.294 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.410 -11.955 0.533 1.00 0.00 H new ATOM 552 N SER A 40 -9.748 -11.794 -3.386 1.00 0.00 N ATOM 553 CA SER A 40 -10.843 -11.631 -4.334 1.00 0.00 C ATOM 554 C SER A 40 -10.544 -10.523 -5.342 1.00 0.00 C ATOM 555 O SER A 40 -10.220 -10.794 -6.498 1.00 0.00 O ATOM 556 CB SER A 40 -12.145 -11.320 -3.592 1.00 0.00 C ATOM 557 OG SER A 40 -12.876 -12.504 -3.326 1.00 0.00 O ATOM 0 H SER A 40 -9.699 -11.071 -2.668 1.00 0.00 H new ATOM 0 HA SER A 40 -10.954 -12.568 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.920 -10.810 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.753 -10.640 -4.188 1.00 0.00 H new ATOM 0 HG SER A 40 -13.702 -12.278 -2.850 1.00 0.00 H new ATOM 563 N SER A 41 -10.662 -9.276 -4.897 1.00 0.00 N ATOM 564 CA SER A 41 -10.412 -8.128 -5.761 1.00 0.00 C ATOM 565 C SER A 41 -8.935 -8.018 -6.135 1.00 0.00 C ATOM 566 O SER A 41 -8.585 -7.368 -7.120 1.00 0.00 O ATOM 567 CB SER A 41 -10.870 -6.840 -5.074 1.00 0.00 C ATOM 568 OG SER A 41 -9.988 -6.478 -4.025 1.00 0.00 O ATOM 0 H SER A 41 -10.929 -9.035 -3.943 1.00 0.00 H new ATOM 0 HA SER A 41 -10.983 -8.274 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.921 -6.033 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.876 -6.974 -4.677 1.00 0.00 H new ATOM 0 HG SER A 41 -9.950 -7.202 -3.365 1.00 0.00 H new ATOM 574 N ARG A 42 -8.072 -8.651 -5.345 1.00 0.00 N ATOM 575 CA ARG A 42 -6.635 -8.612 -5.603 1.00 0.00 C ATOM 576 C ARG A 42 -6.109 -7.183 -5.528 1.00 0.00 C ATOM 577 O ARG A 42 -5.164 -6.821 -6.228 1.00 0.00 O ATOM 578 CB ARG A 42 -6.322 -9.214 -6.975 1.00 0.00 C ATOM 579 CG ARG A 42 -6.407 -10.731 -7.008 1.00 0.00 C ATOM 580 CD ARG A 42 -7.634 -11.206 -7.771 1.00 0.00 C ATOM 581 NE ARG A 42 -8.190 -12.433 -7.206 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.694 -13.647 -7.437 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.633 -13.801 -8.219 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.262 -14.709 -6.882 1.00 0.00 N ATOM 0 H ARG A 42 -8.340 -9.195 -4.525 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.138 -9.204 -4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.015 -8.804 -7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.320 -8.908 -7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.509 -11.136 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.440 -11.117 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.394 -10.424 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.369 -11.375 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.006 -12.355 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.192 -12.987 -8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.258 -14.734 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.077 -14.595 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.884 -15.640 -7.058 1.00 0.00 H new ATOM 598 N VAL A 43 -6.728 -6.375 -4.673 1.00 0.00 N ATOM 599 CA VAL A 43 -6.324 -4.985 -4.504 1.00 0.00 C ATOM 600 C VAL A 43 -5.748 -4.747 -3.112 1.00 0.00 C ATOM 601 O VAL A 43 -6.467 -4.805 -2.115 1.00 0.00 O ATOM 602 CB VAL A 43 -7.506 -4.023 -4.728 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.027 -2.581 -4.745 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.236 -4.366 -6.017 1.00 0.00 C ATOM 0 H VAL A 43 -7.512 -6.660 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.557 -4.786 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.205 -4.138 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.877 -1.917 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.555 -2.343 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.306 -2.447 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.068 -3.676 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.548 -4.282 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.616 -5.386 -5.959 1.00 0.00 H new ATOM 614 N THR A 44 -4.448 -4.481 -3.052 1.00 0.00 N ATOM 615 CA THR A 44 -3.776 -4.236 -1.782 1.00 0.00 C ATOM 616 C THR A 44 -4.356 -3.010 -1.085 1.00 0.00 C ATOM 617 O THR A 44 -4.409 -1.923 -1.661 1.00 0.00 O ATOM 618 CB THR A 44 -2.274 -4.048 -2.005 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.863 -4.673 -3.208 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.428 -4.610 -0.883 1.00 0.00 C ATOM 0 H THR A 44 -3.839 -4.430 -3.868 1.00 0.00 H new ATOM 0 HA THR A 44 -3.936 -5.103 -1.142 1.00 0.00 H new ATOM 0 HB THR A 44 -2.121 -2.970 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.900 -4.540 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.374 -4.444 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.686 -4.112 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.614 -5.680 -0.788 1.00 0.00 H new ATOM 628 N VAL A 45 -4.789 -3.192 0.157 1.00 0.00 N ATOM 629 CA VAL A 45 -5.365 -2.102 0.935 1.00 0.00 C ATOM 630 C VAL A 45 -5.042 -2.255 2.417 1.00 0.00 C ATOM 631 O VAL A 45 -4.742 -3.352 2.887 1.00 0.00 O ATOM 632 CB VAL A 45 -6.893 -2.031 0.759 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.250 -1.686 -0.678 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.541 -3.343 1.177 1.00 0.00 C ATOM 0 H VAL A 45 -4.752 -4.086 0.647 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.921 -1.179 0.562 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.278 -1.241 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.334 -1.640 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.819 -0.719 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.853 -2.451 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.621 -3.274 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.152 -4.154 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.315 -3.543 2.224 1.00 0.00 H new ATOM 644 N ASP A 46 -5.104 -1.148 3.150 1.00 0.00 N ATOM 645 CA ASP A 46 -4.818 -1.159 4.580 1.00 0.00 C ATOM 646 C ASP A 46 -5.769 -2.097 5.318 1.00 0.00 C ATOM 647 O ASP A 46 -6.961 -2.152 5.017 1.00 0.00 O ATOM 648 CB ASP A 46 -4.926 0.256 5.153 1.00 0.00 C ATOM 649 CG ASP A 46 -3.570 0.868 5.444 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.610 0.103 5.673 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.469 2.113 5.442 1.00 0.00 O ATOM 0 H ASP A 46 -5.350 -0.231 2.777 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.800 -1.522 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.464 0.890 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.514 0.229 6.071 1.00 0.00 H new ATOM 656 N ARG A 47 -5.232 -2.833 6.286 1.00 0.00 N ATOM 657 CA ARG A 47 -6.032 -3.768 7.069 1.00 0.00 C ATOM 658 C ARG A 47 -7.177 -3.047 7.773 1.00 0.00 C ATOM 659 O ARG A 47 -8.244 -3.620 7.991 1.00 0.00 O ATOM 660 CB ARG A 47 -5.155 -4.485 8.098 1.00 0.00 C ATOM 661 CG ARG A 47 -5.717 -5.825 8.548 1.00 0.00 C ATOM 662 CD ARG A 47 -6.154 -5.792 10.006 1.00 0.00 C ATOM 663 NE ARG A 47 -5.333 -6.665 10.842 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.489 -7.985 10.914 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.432 -8.589 10.201 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.699 -8.705 11.700 1.00 0.00 N ATOM 0 H ARG A 47 -4.246 -2.800 6.547 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.456 -4.505 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.163 -4.641 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.031 -3.841 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.566 -6.093 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.963 -6.600 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.093 -4.770 10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.198 -6.097 10.079 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.597 -6.238 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.042 -8.041 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.547 -9.601 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.972 -8.247 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.819 -9.716 11.755 1.00 0.00 H new ATOM 680 N SER A 48 -6.947 -1.787 8.127 1.00 0.00 N ATOM 681 CA SER A 48 -7.959 -0.987 8.805 1.00 0.00 C ATOM 682 C SER A 48 -8.974 -0.436 7.807 1.00 0.00 C ATOM 683 O SER A 48 -10.145 -0.249 8.138 1.00 0.00 O ATOM 684 CB SER A 48 -7.303 0.164 9.569 1.00 0.00 C ATOM 685 OG SER A 48 -8.008 0.451 10.765 1.00 0.00 O ATOM 0 H SER A 48 -6.068 -1.298 7.955 1.00 0.00 H new ATOM 0 HA SER A 48 -8.482 -1.631 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.271 -0.094 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.273 1.053 8.939 1.00 0.00 H new ATOM 0 HG SER A 48 -7.567 1.189 11.235 1.00 0.00 H new ATOM 691 N THR A 49 -8.517 -0.182 6.586 1.00 0.00 N ATOM 692 CA THR A 49 -9.385 0.347 5.540 1.00 0.00 C ATOM 693 C THR A 49 -10.414 -0.694 5.113 1.00 0.00 C ATOM 694 O THR A 49 -11.547 -0.356 4.769 1.00 0.00 O ATOM 695 CB THR A 49 -8.554 0.784 4.332 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.518 1.666 4.728 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.371 1.485 3.266 1.00 0.00 C ATOM 0 H THR A 49 -7.551 -0.334 6.296 1.00 0.00 H new ATOM 0 HA THR A 49 -9.913 1.212 5.941 1.00 0.00 H new ATOM 0 HB THR A 49 -8.149 -0.137 3.911 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.805 2.175 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.722 1.769 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.149 0.813 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.831 2.378 3.689 1.00 0.00 H new ATOM 705 N ILE A 50 -10.014 -1.960 5.141 1.00 0.00 N ATOM 706 CA ILE A 50 -10.901 -3.051 4.759 1.00 0.00 C ATOM 707 C ILE A 50 -11.835 -3.423 5.906 1.00 0.00 C ATOM 708 O ILE A 50 -12.973 -3.837 5.686 1.00 0.00 O ATOM 709 CB ILE A 50 -10.104 -4.300 4.328 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.051 -5.393 3.828 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.252 -4.814 5.480 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.729 -5.053 2.519 1.00 0.00 C ATOM 0 H ILE A 50 -9.080 -2.256 5.425 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.492 -2.700 3.913 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.440 -4.020 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.491 -6.320 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.813 -5.577 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.697 -5.695 5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.552 -4.038 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.896 -5.078 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.385 -5.872 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.317 -4.143 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.974 -4.898 1.748 1.00 0.00 H new ATOM 724 N ALA A 51 -11.346 -3.270 7.135 1.00 0.00 N ATOM 725 CA ALA A 51 -12.138 -3.589 8.317 1.00 0.00 C ATOM 726 C ALA A 51 -13.431 -2.781 8.344 1.00 0.00 C ATOM 727 O ALA A 51 -14.511 -3.328 8.566 1.00 0.00 O ATOM 728 CB ALA A 51 -11.324 -3.334 9.579 1.00 0.00 C ATOM 0 H ALA A 51 -10.407 -2.928 7.336 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.403 -4.646 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.926 -3.576 10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.431 -3.959 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.032 -2.285 9.618 1.00 0.00 H new ATOM 734 N ARG A 52 -13.314 -1.477 8.113 1.00 0.00 N ATOM 735 CA ARG A 52 -14.476 -0.595 8.107 1.00 0.00 C ATOM 736 C ARG A 52 -15.483 -1.038 7.049 1.00 0.00 C ATOM 737 O ARG A 52 -16.690 -0.866 7.214 1.00 0.00 O ATOM 738 CB ARG A 52 -14.044 0.851 7.852 1.00 0.00 C ATOM 739 CG ARG A 52 -14.481 1.816 8.944 1.00 0.00 C ATOM 740 CD ARG A 52 -13.363 2.774 9.329 1.00 0.00 C ATOM 741 NE ARG A 52 -13.695 4.160 9.007 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.502 4.919 9.744 1.00 0.00 C ATOM 743 NH1 ARG A 52 -15.063 4.431 10.844 1.00 0.00 N ATOM 744 NH2 ARG A 52 -14.751 6.170 9.380 1.00 0.00 N ATOM 0 H ARG A 52 -12.427 -1.008 7.928 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.955 -0.652 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.959 0.887 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.456 1.182 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.346 2.385 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.796 1.253 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.163 2.688 10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.448 2.490 8.810 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.284 4.570 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.876 3.469 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.681 5.018 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.324 6.550 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.370 6.752 9.945 1.00 0.00 H new ATOM 758 N HIS A 53 -14.975 -1.613 5.964 1.00 0.00 N ATOM 759 CA HIS A 53 -15.825 -2.086 4.879 1.00 0.00 C ATOM 760 C HIS A 53 -16.423 -3.450 5.211 1.00 0.00 C ATOM 761 O HIS A 53 -17.473 -3.822 4.688 1.00 0.00 O ATOM 762 CB HIS A 53 -15.024 -2.171 3.577 1.00 0.00 C ATOM 763 CG HIS A 53 -15.879 -2.301 2.355 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.866 -1.405 2.009 1.00 0.00 N ATOM 765 CD2 HIS A 53 -15.881 -3.252 1.386 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.423 -1.828 0.867 1.00 0.00 C ATOM 767 NE2 HIS A 53 -16.861 -2.945 0.446 1.00 0.00 N ATOM 0 H HIS A 53 -13.977 -1.763 5.813 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.640 -1.373 4.752 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.404 -1.280 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.349 -3.025 3.631 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.127 -0.568 2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.226 -4.110 1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.228 -1.320 0.357 1.00 0.00 H new ATOM 775 N LEU A 54 -15.748 -4.192 6.085 1.00 0.00 N ATOM 776 CA LEU A 54 -16.213 -5.515 6.487 1.00 0.00 C ATOM 777 C LEU A 54 -17.001 -5.443 7.791 1.00 0.00 C ATOM 778 O LEU A 54 -16.896 -6.328 8.641 1.00 0.00 O ATOM 779 CB LEU A 54 -15.025 -6.467 6.648 1.00 0.00 C ATOM 780 CG LEU A 54 -14.199 -6.695 5.380 1.00 0.00 C ATOM 781 CD1 LEU A 54 -12.938 -7.482 5.702 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.026 -7.418 4.328 1.00 0.00 C ATOM 0 H LEU A 54 -14.877 -3.899 6.528 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.872 -5.894 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.368 -6.076 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.396 -7.430 6.999 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.906 -5.725 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.362 -7.636 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.336 -6.927 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.211 -8.448 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.423 -7.572 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.348 -8.383 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.901 -6.818 4.077 1.00 0.00 H new ATOM 794 N LEU A 55 -17.789 -4.384 7.945 1.00 0.00 N ATOM 795 CA LEU A 55 -18.595 -4.198 9.146 1.00 0.00 C ATOM 796 C LEU A 55 -20.052 -4.566 8.886 1.00 0.00 C ATOM 797 O LEU A 55 -20.552 -5.565 9.405 1.00 0.00 O ATOM 798 CB LEU A 55 -18.502 -2.749 9.630 1.00 0.00 C ATOM 799 CG LEU A 55 -17.116 -2.313 10.106 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.142 -0.864 10.570 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.628 -3.223 11.224 1.00 0.00 C ATOM 0 H LEU A 55 -17.887 -3.641 7.253 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.204 -4.858 9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.815 -2.091 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.211 -2.609 10.446 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.423 -2.392 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.147 -0.571 10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.450 -0.223 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.848 -0.758 11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.640 -2.899 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.323 -3.174 12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.571 -4.249 10.860 1.00 0.00 H new ATOM 813 N SER A 56 -20.728 -3.752 8.081 1.00 0.00 N ATOM 814 CA SER A 56 -22.128 -3.993 7.752 1.00 0.00 C ATOM 815 C SER A 56 -22.252 -4.868 6.509 1.00 0.00 C ATOM 816 O SER A 56 -23.200 -5.642 6.375 1.00 0.00 O ATOM 817 CB SER A 56 -22.856 -2.666 7.532 1.00 0.00 C ATOM 818 OG SER A 56 -23.109 -2.011 8.763 1.00 0.00 O ATOM 0 H SER A 56 -20.329 -2.921 7.645 1.00 0.00 H new ATOM 0 HA SER A 56 -22.588 -4.517 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.256 -2.021 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.797 -2.846 7.012 1.00 0.00 H new ATOM 0 HG SER A 56 -23.574 -1.165 8.594 1.00 0.00 H new ATOM 824 N ASP A 57 -21.290 -4.738 5.602 1.00 0.00 N ATOM 825 CA ASP A 57 -21.290 -5.518 4.370 1.00 0.00 C ATOM 826 C ASP A 57 -19.982 -6.284 4.209 1.00 0.00 C ATOM 827 O ASP A 57 -18.988 -5.741 3.725 1.00 0.00 O ATOM 828 CB ASP A 57 -21.511 -4.602 3.164 1.00 0.00 C ATOM 829 CG ASP A 57 -22.831 -3.859 3.235 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.865 -4.449 2.857 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.830 -2.688 3.668 1.00 0.00 O ATOM 0 H ASP A 57 -20.500 -4.100 5.697 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.106 -6.239 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.695 -3.882 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.480 -5.195 2.250 1.00 0.00 H new ATOM 836 N GLN A 58 -19.987 -7.548 4.618 1.00 0.00 N ATOM 837 CA GLN A 58 -18.800 -8.389 4.518 1.00 0.00 C ATOM 838 C GLN A 58 -18.470 -8.691 3.061 1.00 0.00 C ATOM 839 O GLN A 58 -18.762 -9.778 2.561 1.00 0.00 O ATOM 840 CB GLN A 58 -19.007 -9.694 5.291 1.00 0.00 C ATOM 841 CG GLN A 58 -18.420 -9.670 6.693 1.00 0.00 C ATOM 842 CD GLN A 58 -19.445 -9.298 7.747 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.363 -10.066 8.034 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.294 -8.114 8.328 1.00 0.00 N ATOM 0 H GLN A 58 -20.800 -8.013 5.022 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.962 -7.847 4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -20.075 -9.902 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.556 -10.514 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -18.004 -10.650 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.595 -8.958 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.518 -7.509 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.954 -7.809 9.043 1.00 0.00 H new ATOM 853 N THR A 59 -17.860 -7.724 2.383 1.00 0.00 N ATOM 854 CA THR A 59 -17.492 -7.889 0.981 1.00 0.00 C ATOM 855 C THR A 59 -16.325 -6.977 0.613 1.00 0.00 C ATOM 856 O THR A 59 -15.775 -6.281 1.466 1.00 0.00 O ATOM 857 CB THR A 59 -18.691 -7.592 0.080 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.095 -6.241 0.213 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.893 -8.461 0.376 1.00 0.00 C ATOM 0 H THR A 59 -17.610 -6.819 2.781 1.00 0.00 H new ATOM 0 HA THR A 59 -17.181 -8.923 0.832 1.00 0.00 H new ATOM 0 HB THR A 59 -18.350 -7.805 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 59 -18.879 -5.753 -0.609 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.707 -8.198 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.628 -9.509 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.211 -8.304 1.407 1.00 0.00 H new ATOM 867 N ASP A 60 -15.953 -6.988 -0.664 1.00 0.00 N ATOM 868 CA ASP A 60 -14.852 -6.161 -1.145 1.00 0.00 C ATOM 869 C ASP A 60 -15.363 -4.810 -1.642 1.00 0.00 C ATOM 870 O ASP A 60 -16.450 -4.721 -2.211 1.00 0.00 O ATOM 871 CB ASP A 60 -14.100 -6.883 -2.267 1.00 0.00 C ATOM 872 CG ASP A 60 -12.730 -7.362 -1.828 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.134 -6.723 -0.935 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.252 -8.377 -2.377 1.00 0.00 O ATOM 0 H ASP A 60 -16.397 -7.560 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.169 -5.985 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.689 -7.735 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.992 -6.212 -3.119 1.00 0.00 H new ATOM 879 N PRO A 61 -14.583 -3.735 -1.432 1.00 0.00 N ATOM 880 CA PRO A 61 -14.965 -2.387 -1.860 1.00 0.00 C ATOM 881 C PRO A 61 -14.781 -2.169 -3.361 1.00 0.00 C ATOM 882 O PRO A 61 -15.087 -1.096 -3.881 1.00 0.00 O ATOM 883 CB PRO A 61 -14.012 -1.492 -1.071 1.00 0.00 C ATOM 884 CG PRO A 61 -12.792 -2.325 -0.881 1.00 0.00 C ATOM 885 CD PRO A 61 -13.269 -3.749 -0.759 1.00 0.00 C ATOM 0 HA PRO A 61 -16.021 -2.186 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.786 -0.575 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.444 -1.197 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.110 -2.214 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.247 -2.019 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.581 -4.445 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.356 -4.055 0.284 1.00 0.00 H new ATOM 893 N PHE A 62 -14.275 -3.185 -4.056 1.00 0.00 N ATOM 894 CA PHE A 62 -14.051 -3.090 -5.494 1.00 0.00 C ATOM 895 C PHE A 62 -14.895 -4.110 -6.252 1.00 0.00 C ATOM 896 O PHE A 62 -15.508 -3.789 -7.270 1.00 0.00 O ATOM 897 CB PHE A 62 -12.570 -3.299 -5.815 1.00 0.00 C ATOM 898 CG PHE A 62 -11.644 -2.545 -4.905 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.501 -1.171 -5.024 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.916 -3.209 -3.931 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.648 -0.475 -4.188 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.063 -2.518 -3.092 1.00 0.00 C ATOM 903 CZ PHE A 62 -9.928 -1.149 -3.221 1.00 0.00 C ATOM 0 H PHE A 62 -14.013 -4.082 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.351 -2.092 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.340 -4.363 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.383 -2.992 -6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.062 -0.639 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.016 -4.279 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.545 0.595 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.502 -3.048 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.261 -0.607 -2.567 1.00 0.00 H new ATOM 913 N ASN A 63 -14.915 -5.342 -5.755 1.00 0.00 N ATOM 914 CA ASN A 63 -15.679 -6.411 -6.391 1.00 0.00 C ATOM 915 C ASN A 63 -17.035 -6.599 -5.716 1.00 0.00 C ATOM 916 O ASN A 63 -17.992 -7.052 -6.345 1.00 0.00 O ATOM 917 CB ASN A 63 -14.887 -7.721 -6.352 1.00 0.00 C ATOM 918 CG ASN A 63 -14.607 -8.270 -7.738 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.505 -8.777 -8.410 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.356 -8.170 -8.172 1.00 0.00 N ATOM 0 H ASN A 63 -14.412 -5.626 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.854 -6.128 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.943 -7.556 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.443 -8.461 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.107 -8.521 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.644 -7.742 -7.581 1.00 0.00 H new ATOM 927 N ARG A 64 -17.112 -6.255 -4.434 1.00 0.00 N ATOM 928 CA ARG A 64 -18.354 -6.393 -3.680 1.00 0.00 C ATOM 929 C ARG A 64 -18.754 -7.860 -3.556 1.00 0.00 C ATOM 930 O ARG A 64 -19.938 -8.186 -3.465 1.00 0.00 O ATOM 931 CB ARG A 64 -19.476 -5.594 -4.351 1.00 0.00 C ATOM 932 CG ARG A 64 -19.775 -4.271 -3.663 1.00 0.00 C ATOM 933 CD ARG A 64 -21.262 -3.956 -3.685 1.00 0.00 C ATOM 934 NE ARG A 64 -21.716 -3.375 -2.423 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.749 -4.041 -1.270 1.00 0.00 C ATOM 936 NH1 ARG A 64 -21.357 -5.307 -1.215 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.177 -3.437 -0.169 1.00 0.00 N ATOM 0 H ARG A 64 -16.331 -5.879 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.189 -5.997 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.203 -5.401 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.383 -6.199 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.425 -4.309 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.225 -3.470 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.474 -3.264 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.823 -4.868 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.026 -2.403 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.028 -5.776 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -21.385 -5.811 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -22.480 -2.464 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.203 -3.946 0.715 1.00 0.00 H new ATOM 951 N SER A 65 -17.758 -8.741 -3.551 1.00 0.00 N ATOM 952 CA SER A 65 -18.005 -10.173 -3.438 1.00 0.00 C ATOM 953 C SER A 65 -17.835 -10.638 -1.992 1.00 0.00 C ATOM 954 O SER A 65 -17.286 -9.914 -1.162 1.00 0.00 O ATOM 955 CB SER A 65 -17.053 -10.948 -4.352 1.00 0.00 C ATOM 956 OG SER A 65 -17.712 -11.370 -5.534 1.00 0.00 O ATOM 0 H SER A 65 -16.773 -8.487 -3.624 1.00 0.00 H new ATOM 0 HA SER A 65 -19.032 -10.369 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.201 -10.320 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.660 -11.815 -3.822 1.00 0.00 H new ATOM 0 HG SER A 65 -17.082 -11.861 -6.102 1.00 0.00 H new ATOM 962 N PRO A 66 -18.304 -11.857 -1.671 1.00 0.00 N ATOM 963 CA PRO A 66 -18.198 -12.410 -0.317 1.00 0.00 C ATOM 964 C PRO A 66 -16.752 -12.477 0.165 1.00 0.00 C ATOM 965 O PRO A 66 -15.994 -13.363 -0.230 1.00 0.00 O ATOM 966 CB PRO A 66 -18.786 -13.823 -0.448 1.00 0.00 C ATOM 967 CG PRO A 66 -18.794 -14.113 -1.911 1.00 0.00 C ATOM 968 CD PRO A 66 -18.969 -12.788 -2.594 1.00 0.00 C ATOM 0 HA PRO A 66 -18.718 -11.791 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.183 -14.552 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.793 -13.870 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.864 -14.591 -2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.604 -14.795 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.508 -12.778 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -20.021 -12.539 -2.731 1.00 0.00 H new ATOM 976 N LEU A 67 -16.376 -11.531 1.020 1.00 0.00 N ATOM 977 CA LEU A 67 -15.021 -11.479 1.555 1.00 0.00 C ATOM 978 C LEU A 67 -15.035 -11.174 3.050 1.00 0.00 C ATOM 979 O LEU A 67 -15.948 -10.517 3.551 1.00 0.00 O ATOM 980 CB LEU A 67 -14.201 -10.419 0.816 1.00 0.00 C ATOM 981 CG LEU A 67 -12.763 -10.249 1.311 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.902 -11.417 0.859 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.183 -8.934 0.814 1.00 0.00 C ATOM 0 H LEU A 67 -16.991 -10.790 1.357 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.561 -12.456 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.176 -10.674 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.714 -9.461 0.901 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.772 -10.232 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.883 -11.279 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.307 -12.345 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.898 -11.466 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.160 -8.828 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.186 -8.924 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.786 -8.106 1.187 1.00 0.00 H new ATOM 995 N THR A 68 -14.017 -11.655 3.757 1.00 0.00 N ATOM 996 CA THR A 68 -13.913 -11.433 5.195 1.00 0.00 C ATOM 997 C THR A 68 -12.501 -10.999 5.574 1.00 0.00 C ATOM 998 O THR A 68 -11.624 -10.886 4.718 1.00 0.00 O ATOM 999 CB THR A 68 -14.291 -12.704 5.957 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.677 -13.840 5.373 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.782 -12.957 5.996 1.00 0.00 C ATOM 0 H THR A 68 -13.253 -12.200 3.358 1.00 0.00 H new ATOM 0 HA THR A 68 -14.605 -10.637 5.467 1.00 0.00 H new ATOM 0 HB THR A 68 -13.939 -12.545 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.099 -14.032 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.981 -13.874 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.280 -12.120 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.160 -13.060 4.979 1.00 0.00 H new ATOM 1009 N MET A 69 -12.288 -10.757 6.864 1.00 0.00 N ATOM 1010 CA MET A 69 -10.982 -10.336 7.357 1.00 0.00 C ATOM 1011 C MET A 69 -10.018 -11.516 7.420 1.00 0.00 C ATOM 1012 O MET A 69 -8.808 -11.350 7.263 1.00 0.00 O ATOM 1013 CB MET A 69 -11.117 -9.698 8.741 1.00 0.00 C ATOM 1014 CG MET A 69 -9.910 -8.869 9.149 1.00 0.00 C ATOM 1015 SD MET A 69 -10.366 -7.288 9.886 1.00 0.00 S ATOM 1016 CE MET A 69 -10.056 -6.174 8.519 1.00 0.00 C ATOM 0 H MET A 69 -13.003 -10.845 7.586 1.00 0.00 H new ATOM 0 HA MET A 69 -10.580 -9.598 6.662 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.004 -9.065 8.755 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.275 -10.483 9.480 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.309 -9.436 9.860 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.285 -8.690 8.274 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.786 -5.191 8.905 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.239 -6.562 7.911 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.954 -6.089 7.908 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.561 -12.707 7.651 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.748 -13.915 7.736 1.00 0.00 C ATOM 1028 C ASP A 70 -9.243 -14.328 6.357 1.00 0.00 C ATOM 1029 O ASP A 70 -8.133 -14.842 6.219 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.555 -15.055 8.358 1.00 0.00 C ATOM 1031 CG ASP A 70 -11.116 -14.692 9.719 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -12.198 -14.071 9.769 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.474 -15.031 10.735 1.00 0.00 O ATOM 0 H ASP A 70 -11.561 -12.861 7.783 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.888 -13.700 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.374 -15.323 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.920 -15.936 8.453 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.065 -14.100 5.338 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.702 -14.448 3.969 1.00 0.00 C ATOM 1040 C GLN A 71 -8.498 -13.637 3.501 1.00 0.00 C ATOM 1041 O GLN A 71 -7.640 -14.141 2.777 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.887 -14.212 3.029 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.994 -15.243 3.177 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.160 -14.982 2.243 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.292 -14.783 2.685 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.888 -14.983 0.943 1.00 0.00 N ATOM 0 H GLN A 71 -10.987 -13.676 5.434 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.435 -15.505 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.298 -13.220 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.530 -14.219 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.590 -16.236 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.351 -15.243 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.935 -15.153 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.632 -14.814 0.266 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.440 -12.377 3.921 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.340 -11.497 3.544 1.00 0.00 C ATOM 1057 C ILE A 72 -6.099 -11.778 4.383 1.00 0.00 C ATOM 1058 O ILE A 72 -6.195 -12.278 5.503 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.728 -10.013 3.705 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.155 -9.729 5.146 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.840 -9.648 2.734 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -8.334 -8.256 5.444 1.00 0.00 C ATOM 0 H ILE A 72 -9.141 -11.943 4.522 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.120 -11.697 2.495 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.858 -9.398 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.092 -10.249 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.409 -10.141 5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.103 -8.598 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.501 -9.817 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.715 -10.267 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.637 -8.129 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.393 -7.733 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.101 -7.843 4.789 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.933 -11.455 3.832 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.671 -11.674 4.530 1.00 0.00 C ATOM 1076 C ARG A 73 -2.752 -10.465 4.385 1.00 0.00 C ATOM 1077 O ARG A 73 -2.841 -9.720 3.409 1.00 0.00 O ATOM 1078 CB ARG A 73 -2.976 -12.925 3.991 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.532 -14.222 4.558 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.685 -15.417 4.149 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.200 -16.667 4.703 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.864 -17.873 4.250 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.013 -17.995 3.239 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.379 -18.959 4.810 1.00 0.00 N ATOM 0 H ARG A 73 -4.836 -11.041 2.905 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.890 -11.816 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.070 -12.943 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.912 -12.866 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.571 -14.158 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.555 -14.364 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.657 -15.487 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.659 -15.267 4.485 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.855 -16.613 5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.613 -17.163 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.759 -18.921 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.033 -18.871 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.121 -19.883 4.463 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.849 -10.253 5.359 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.911 -9.127 5.335 1.00 0.00 C ATOM 1100 C PRO A 74 0.173 -9.302 4.276 1.00 0.00 C ATOM 1101 O PRO A 74 0.874 -10.314 4.252 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.300 -9.145 6.736 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.410 -10.563 7.177 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.675 -11.093 6.559 1.00 0.00 C ATOM 0 HA PRO A 74 -1.405 -8.188 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.739 -8.815 6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.836 -8.478 7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.455 -11.141 6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.448 -10.632 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.584 -12.148 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.522 -11.003 7.239 1.00 0.00 H new ATOM 1112 N ASN A 75 0.307 -8.308 3.404 1.00 0.00 N ATOM 1113 CA ASN A 75 1.306 -8.353 2.342 1.00 0.00 C ATOM 1114 C ASN A 75 2.714 -8.225 2.914 1.00 0.00 C ATOM 1115 O ASN A 75 3.248 -7.122 3.033 1.00 0.00 O ATOM 1116 CB ASN A 75 1.051 -7.237 1.328 1.00 0.00 C ATOM 1117 CG ASN A 75 1.704 -7.512 -0.011 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.654 -8.290 -0.104 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.198 -6.872 -1.059 1.00 0.00 N ATOM 0 H ASN A 75 -0.263 -7.462 3.412 1.00 0.00 H new ATOM 0 HA ASN A 75 1.224 -9.317 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.023 -7.116 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.428 -6.295 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.597 -7.016 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.410 -6.236 -0.936 1.00 0.00 H new ATOM 1126 N THR A 76 3.311 -9.359 3.265 1.00 0.00 N ATOM 1127 CA THR A 76 4.658 -9.373 3.824 1.00 0.00 C ATOM 1128 C THR A 76 5.671 -8.839 2.817 1.00 0.00 C ATOM 1129 O THR A 76 6.637 -8.172 3.187 1.00 0.00 O ATOM 1130 CB THR A 76 5.042 -10.791 4.248 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.885 -11.571 4.494 1.00 0.00 O ATOM 1132 CG2 THR A 76 5.897 -10.832 5.495 1.00 0.00 C ATOM 0 H THR A 76 2.883 -10.280 3.172 1.00 0.00 H new ATOM 0 HA THR A 76 4.667 -8.724 4.700 1.00 0.00 H new ATOM 0 HB THR A 76 5.621 -11.194 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.151 -12.475 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.133 -11.867 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.821 -10.280 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.354 -10.378 6.324 1.00 0.00 H new ATOM 1140 N GLU A 77 5.443 -9.137 1.541 1.00 0.00 N ATOM 1141 CA GLU A 77 6.336 -8.686 0.480 1.00 0.00 C ATOM 1142 C GLU A 77 6.275 -7.170 0.326 1.00 0.00 C ATOM 1143 O GLU A 77 7.272 -6.529 -0.006 1.00 0.00 O ATOM 1144 CB GLU A 77 5.970 -9.363 -0.843 1.00 0.00 C ATOM 1145 CG GLU A 77 6.901 -10.504 -1.219 1.00 0.00 C ATOM 1146 CD GLU A 77 6.911 -10.780 -2.710 1.00 0.00 C ATOM 1147 OE1 GLU A 77 7.662 -10.096 -3.436 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.167 -11.682 -3.151 1.00 0.00 O ATOM 0 H GLU A 77 4.648 -9.688 1.218 1.00 0.00 H new ATOM 0 HA GLU A 77 7.355 -8.963 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.951 -9.743 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.982 -8.618 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.913 -10.266 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.597 -11.406 -0.688 1.00 0.00 H new ATOM 1155 N LEU A 78 5.099 -6.602 0.570 1.00 0.00 N ATOM 1156 CA LEU A 78 4.908 -5.160 0.458 1.00 0.00 C ATOM 1157 C LEU A 78 5.318 -4.456 1.746 1.00 0.00 C ATOM 1158 O LEU A 78 5.931 -3.389 1.714 1.00 0.00 O ATOM 1159 CB LEU A 78 3.449 -4.840 0.131 1.00 0.00 C ATOM 1160 CG LEU A 78 3.177 -3.387 -0.262 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.908 -3.036 -1.547 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.683 -3.148 -0.414 1.00 0.00 C ATOM 0 H LEU A 78 4.264 -7.118 0.847 1.00 0.00 H new ATOM 0 HA LEU A 78 5.542 -4.797 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.125 -5.487 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.836 -5.087 0.998 1.00 0.00 H new ATOM 0 HG LEU A 78 3.550 -2.740 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.702 -1.999 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.980 -3.168 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.566 -3.689 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.507 -2.109 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.286 -3.804 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.183 -3.359 0.531 1.00 0.00 H new ATOM 1174 N LYS A 79 4.977 -5.060 2.881 1.00 0.00 N ATOM 1175 CA LYS A 79 5.310 -4.490 4.183 1.00 0.00 C ATOM 1176 C LYS A 79 6.810 -4.246 4.305 1.00 0.00 C ATOM 1177 O LYS A 79 7.242 -3.272 4.920 1.00 0.00 O ATOM 1178 CB LYS A 79 4.840 -5.419 5.304 1.00 0.00 C ATOM 1179 CG LYS A 79 4.458 -4.688 6.580 1.00 0.00 C ATOM 1180 CD LYS A 79 4.629 -5.574 7.803 1.00 0.00 C ATOM 1181 CE LYS A 79 5.162 -4.789 8.990 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.073 -4.373 9.916 1.00 0.00 N ATOM 0 H LYS A 79 4.470 -5.944 2.925 1.00 0.00 H new ATOM 0 HA LYS A 79 4.797 -3.532 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.982 -5.993 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.632 -6.134 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.074 -3.795 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.422 -4.354 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.671 -6.024 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.312 -6.391 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.886 -5.397 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.692 -3.906 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.343 -3.490 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.198 -4.220 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.917 -5.118 10.625 1.00 0.00 H new ATOM 1196 N GLU A 80 7.599 -5.135 3.711 1.00 0.00 N ATOM 1197 CA GLU A 80 9.051 -5.015 3.752 1.00 0.00 C ATOM 1198 C GLU A 80 9.519 -3.812 2.937 1.00 0.00 C ATOM 1199 O GLU A 80 10.528 -3.185 3.260 1.00 0.00 O ATOM 1200 CB GLU A 80 9.705 -6.290 3.219 1.00 0.00 C ATOM 1201 CG GLU A 80 9.648 -7.456 4.194 1.00 0.00 C ATOM 1202 CD GLU A 80 10.697 -8.511 3.903 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.900 -8.208 4.047 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.315 -9.641 3.531 1.00 0.00 O ATOM 0 H GLU A 80 7.257 -5.946 3.196 1.00 0.00 H new ATOM 0 HA GLU A 80 9.350 -4.869 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.214 -6.579 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.747 -6.080 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.785 -7.083 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.659 -7.912 4.152 1.00 0.00 H new ATOM 1211 N LYS A 81 8.776 -3.495 1.881 1.00 0.00 N ATOM 1212 CA LYS A 81 9.113 -2.368 1.020 1.00 0.00 C ATOM 1213 C LYS A 81 8.837 -1.043 1.725 1.00 0.00 C ATOM 1214 O LYS A 81 9.556 -0.064 1.531 1.00 0.00 O ATOM 1215 CB LYS A 81 8.319 -2.439 -0.286 1.00 0.00 C ATOM 1216 CG LYS A 81 8.847 -3.479 -1.262 1.00 0.00 C ATOM 1217 CD LYS A 81 8.125 -3.406 -2.597 1.00 0.00 C ATOM 1218 CE LYS A 81 8.781 -4.303 -3.634 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.780 -3.680 -4.987 1.00 0.00 N ATOM 0 H LYS A 81 7.937 -4.003 1.602 1.00 0.00 H new ATOM 0 HA LYS A 81 10.178 -2.424 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.277 -2.663 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.336 -1.460 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.915 -3.326 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.726 -4.475 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.084 -3.701 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.122 -2.376 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.807 -4.516 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.256 -5.257 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.236 -4.323 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.800 -3.500 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.303 -2.782 -4.956 1.00 0.00 H new ATOM 1233 N ILE A 82 7.791 -1.022 2.546 1.00 0.00 N ATOM 1234 CA ILE A 82 7.423 0.182 3.281 1.00 0.00 C ATOM 1235 C ILE A 82 8.487 0.538 4.313 1.00 0.00 C ATOM 1236 O ILE A 82 8.779 1.712 4.539 1.00 0.00 O ATOM 1237 CB ILE A 82 6.065 0.014 3.993 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.005 -0.482 3.008 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.632 1.328 4.627 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.643 -0.683 3.637 1.00 0.00 C ATOM 0 H ILE A 82 7.185 -1.824 2.718 1.00 0.00 H new ATOM 0 HA ILE A 82 7.343 0.988 2.552 1.00 0.00 H new ATOM 0 HB ILE A 82 6.176 -0.729 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.917 0.234 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.338 -1.424 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.672 1.193 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.378 1.643 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.535 2.090 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.941 -1.035 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.716 -1.421 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.289 0.262 4.048 1.00 0.00 H new ATOM 1252 N GLN A 83 9.065 -0.484 4.935 1.00 0.00 N ATOM 1253 CA GLN A 83 10.099 -0.279 5.943 1.00 0.00 C ATOM 1254 C GLN A 83 11.380 0.247 5.304 1.00 0.00 C ATOM 1255 O GLN A 83 12.095 1.054 5.897 1.00 0.00 O ATOM 1256 CB GLN A 83 10.385 -1.587 6.685 1.00 0.00 C ATOM 1257 CG GLN A 83 9.131 -2.341 7.092 1.00 0.00 C ATOM 1258 CD GLN A 83 9.144 -2.754 8.551 1.00 0.00 C ATOM 1259 OE1 GLN A 83 10.061 -3.437 9.007 1.00 0.00 O ATOM 1260 NE2 GLN A 83 8.123 -2.341 9.292 1.00 0.00 N ATOM 0 H GLN A 83 8.835 -1.462 4.759 1.00 0.00 H new ATOM 0 HA GLN A 83 9.737 0.462 6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.995 -2.229 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.973 -1.368 7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.259 -1.715 6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.027 -3.229 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.384 -1.776 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.077 -2.588 10.281 1.00 0.00 H new ATOM 1269 N ARG A 84 11.662 -0.214 4.090 1.00 0.00 N ATOM 1270 CA ARG A 84 12.856 0.211 3.369 1.00 0.00 C ATOM 1271 C ARG A 84 12.834 1.716 3.124 1.00 0.00 C ATOM 1272 O ARG A 84 13.862 2.387 3.223 1.00 0.00 O ATOM 1273 CB ARG A 84 12.964 -0.537 2.038 1.00 0.00 C ATOM 1274 CG ARG A 84 14.310 -1.212 1.827 1.00 0.00 C ATOM 1275 CD ARG A 84 14.378 -1.909 0.477 1.00 0.00 C ATOM 1276 NE ARG A 84 14.735 -0.986 -0.598 1.00 0.00 N ATOM 1277 CZ ARG A 84 15.978 -0.580 -0.845 1.00 0.00 C ATOM 1278 NH1 ARG A 84 16.985 -1.012 -0.097 1.00 0.00 N ATOM 1279 NH2 ARG A 84 16.214 0.261 -1.842 1.00 0.00 N ATOM 0 H ARG A 84 11.080 -0.882 3.585 1.00 0.00 H new ATOM 0 HA ARG A 84 13.727 -0.025 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.178 -1.290 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.786 0.163 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.105 -0.470 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.483 -1.938 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.111 -2.715 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.414 -2.367 0.256 1.00 0.00 H new ATOM 0 HE ARG A 84 13.987 -0.632 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.808 -1.659 0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.936 -0.698 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.443 0.597 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.167 0.573 -2.032 1.00 0.00 H new ATOM 1293 N TRP A 85 11.656 2.241 2.805 1.00 0.00 N ATOM 1294 CA TRP A 85 11.498 3.667 2.548 1.00 0.00 C ATOM 1295 C TRP A 85 11.518 4.459 3.851 1.00 0.00 C ATOM 1296 O TRP A 85 12.190 5.486 3.955 1.00 0.00 O ATOM 1297 CB TRP A 85 10.190 3.928 1.795 1.00 0.00 C ATOM 1298 CG TRP A 85 9.942 5.380 1.517 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.666 6.193 0.692 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.897 6.192 2.065 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.136 7.459 0.694 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.048 7.485 1.529 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.848 5.951 2.957 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.190 8.532 1.856 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 6.997 6.991 3.280 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.173 8.267 2.731 1.00 0.00 C ATOM 0 H TRP A 85 10.796 1.699 2.718 1.00 0.00 H new ATOM 0 HA TRP A 85 12.335 3.997 1.932 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.208 3.383 0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.359 3.530 2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.530 5.885 0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.493 8.252 0.161 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.705 4.970 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.323 9.517 1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.183 6.817 3.967 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.491 9.059 3.004 1.00 0.00 H new ATOM 1317 N LEU A 86 10.778 3.976 4.844 1.00 0.00 N ATOM 1318 CA LEU A 86 10.710 4.638 6.141 1.00 0.00 C ATOM 1319 C LEU A 86 12.098 4.764 6.762 1.00 0.00 C ATOM 1320 O LEU A 86 12.409 5.758 7.417 1.00 0.00 O ATOM 1321 CB LEU A 86 9.785 3.867 7.085 1.00 0.00 C ATOM 1322 CG LEU A 86 8.291 4.023 6.798 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.526 2.800 7.278 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.752 5.284 7.457 1.00 0.00 C ATOM 0 H LEU A 86 10.216 3.127 4.775 1.00 0.00 H new ATOM 0 HA LEU A 86 10.308 5.639 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.040 2.809 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.979 4.194 8.107 1.00 0.00 H new ATOM 0 HG LEU A 86 8.154 4.112 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.465 2.928 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.895 1.914 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.669 2.680 8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.688 5.380 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.901 5.223 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.281 6.153 7.066 1.00 0.00 H new ATOM 1336 N ALA A 87 12.929 3.748 6.550 1.00 0.00 N ATOM 1337 CA ALA A 87 14.283 3.744 7.087 1.00 0.00 C ATOM 1338 C ALA A 87 15.244 4.477 6.158 1.00 0.00 C ATOM 1339 O ALA A 87 16.230 5.064 6.605 1.00 0.00 O ATOM 1340 CB ALA A 87 14.754 2.316 7.317 1.00 0.00 C ATOM 0 H ALA A 87 12.687 2.917 6.010 1.00 0.00 H new ATOM 0 HA ALA A 87 14.271 4.270 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.767 2.327 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.088 1.823 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.744 1.773 6.372 1.00 0.00 H new ATOM 1346 N GLU A 88 14.952 4.440 4.862 1.00 0.00 N ATOM 1347 CA GLU A 88 15.791 5.101 3.869 1.00 0.00 C ATOM 1348 C GLU A 88 15.629 6.616 3.939 1.00 0.00 C ATOM 1349 O GLU A 88 16.595 7.361 3.782 1.00 0.00 O ATOM 1350 CB GLU A 88 15.442 4.605 2.464 1.00 0.00 C ATOM 1351 CG GLU A 88 16.169 3.328 2.073 1.00 0.00 C ATOM 1352 CD GLU A 88 17.297 3.577 1.091 1.00 0.00 C ATOM 1353 OE1 GLU A 88 18.106 4.497 1.338 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.372 2.854 0.076 1.00 0.00 O ATOM 0 H GLU A 88 14.140 3.959 4.475 1.00 0.00 H new ATOM 0 HA GLU A 88 16.830 4.854 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.367 4.434 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.682 5.386 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.570 2.854 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.457 2.629 1.634 1.00 0.00 H new ATOM 1361 N ARG A 89 14.400 7.066 4.175 1.00 0.00 N ATOM 1362 CA ARG A 89 14.114 8.493 4.265 1.00 0.00 C ATOM 1363 C ARG A 89 14.726 9.093 5.527 1.00 0.00 C ATOM 1364 O ARG A 89 15.141 10.251 5.538 1.00 0.00 O ATOM 1365 CB ARG A 89 12.603 8.736 4.249 1.00 0.00 C ATOM 1366 CG ARG A 89 11.884 8.202 5.478 1.00 0.00 C ATOM 1367 CD ARG A 89 10.432 8.652 5.512 1.00 0.00 C ATOM 1368 NE ARG A 89 10.292 10.013 6.025 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.212 10.767 5.839 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.175 10.298 5.155 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.166 11.995 6.340 1.00 0.00 N ATOM 0 H ARG A 89 13.588 6.463 4.307 1.00 0.00 H new ATOM 0 HA ARG A 89 14.561 8.982 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.417 9.807 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.179 8.270 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.929 7.113 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.394 8.546 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.012 8.598 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.855 7.969 6.135 1.00 0.00 H new ATOM 0 HE ARG A 89 11.068 10.408 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.204 9.354 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.350 10.881 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.959 12.361 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.338 12.573 6.197 1.00 0.00 H new ATOM 1385 N LYS A 90 14.778 8.295 6.589 1.00 0.00 N ATOM 1386 CA LYS A 90 15.339 8.746 7.857 1.00 0.00 C ATOM 1387 C LYS A 90 16.863 8.792 7.791 1.00 0.00 C ATOM 1388 O LYS A 90 17.550 8.059 8.502 1.00 0.00 O ATOM 1389 CB LYS A 90 14.892 7.824 8.994 1.00 0.00 C ATOM 1390 CG LYS A 90 13.479 8.097 9.479 1.00 0.00 C ATOM 1391 CD LYS A 90 13.262 7.569 10.887 1.00 0.00 C ATOM 1392 CE LYS A 90 11.790 7.576 11.266 1.00 0.00 C ATOM 1393 NZ LYS A 90 11.087 6.354 10.784 1.00 0.00 N ATOM 0 H LYS A 90 14.438 7.333 6.596 1.00 0.00 H new ATOM 0 HA LYS A 90 14.971 9.754 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.958 6.789 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.582 7.933 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.287 9.170 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.764 7.632 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.652 6.554 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.824 8.178 11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.694 7.646 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.311 8.460 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.086 6.397 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.156 6.300 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.528 5.511 11.205 1.00 0.00 H new ATOM 1407 N GLN A 91 17.386 9.660 6.931 1.00 0.00 N ATOM 1408 CA GLN A 91 18.828 9.804 6.771 1.00 0.00 C ATOM 1409 C GLN A 91 19.320 11.097 7.414 1.00 0.00 C ATOM 1410 O GLN A 91 18.713 12.154 7.248 1.00 0.00 O ATOM 1411 CB GLN A 91 19.202 9.779 5.286 1.00 0.00 C ATOM 1412 CG GLN A 91 20.107 8.618 4.905 1.00 0.00 C ATOM 1413 CD GLN A 91 21.311 9.058 4.095 1.00 0.00 C ATOM 1414 OE1 GLN A 91 21.699 10.226 4.123 1.00 0.00 O ATOM 1415 NE2 GLN A 91 21.909 8.122 3.368 1.00 0.00 N ATOM 0 H GLN A 91 16.832 10.274 6.334 1.00 0.00 H new ATOM 0 HA GLN A 91 19.311 8.966 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.290 9.728 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.698 10.715 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.447 8.115 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.535 7.889 4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.553 7.166 3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.724 8.359 2.803 1.00 0.00 H new ATOM 1424 N GLN A 92 20.424 11.003 8.149 1.00 0.00 N ATOM 1425 CA GLN A 92 20.998 12.166 8.817 1.00 0.00 C ATOM 1426 C GLN A 92 22.266 12.630 8.109 1.00 0.00 C ATOM 1427 O GLN A 92 23.019 11.819 7.569 1.00 0.00 O ATOM 1428 CB GLN A 92 21.306 11.839 10.279 1.00 0.00 C ATOM 1429 CG GLN A 92 21.048 12.997 11.228 1.00 0.00 C ATOM 1430 CD GLN A 92 20.139 12.617 12.381 1.00 0.00 C ATOM 1431 OE1 GLN A 92 18.920 12.543 12.227 1.00 0.00 O ATOM 1432 NE2 GLN A 92 20.730 12.374 13.546 1.00 0.00 N ATOM 0 H GLN A 92 20.938 10.135 8.297 1.00 0.00 H new ATOM 0 HA GLN A 92 20.267 12.974 8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 92 20.701 10.986 10.587 1.00 0.00 H new ATOM 0 HB3 GLN A 92 22.350 11.537 10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 92 21.998 13.356 11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 92 20.600 13.822 10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 92 21.744 12.447 13.629 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.170 12.114 14.358 1.00 0.00 H new ATOM 1441 N SER A 93 22.496 13.939 8.114 1.00 0.00 N ATOM 1442 CA SER A 93 23.674 14.511 7.472 1.00 0.00 C ATOM 1443 C SER A 93 24.384 15.484 8.409 1.00 0.00 C ATOM 1444 O SER A 93 24.853 16.540 7.985 1.00 0.00 O ATOM 1445 CB SER A 93 23.279 15.225 6.178 1.00 0.00 C ATOM 1446 OG SER A 93 22.094 14.671 5.631 1.00 0.00 O ATOM 0 H SER A 93 21.882 14.624 8.556 1.00 0.00 H new ATOM 0 HA SER A 93 24.360 13.698 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 93 23.130 16.287 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.089 15.146 5.453 1.00 0.00 H new ATOM 0 HG SER A 93 21.862 15.146 4.806 1.00 0.00 H new ATOM 1452 N GLY A 94 24.460 15.118 9.685 1.00 0.00 N ATOM 1453 CA GLY A 94 25.114 15.968 10.662 1.00 0.00 C ATOM 1454 C GLY A 94 25.576 15.198 11.885 1.00 0.00 C ATOM 1455 O GLY A 94 25.019 15.365 12.970 1.00 0.00 O ATOM 0 H GLY A 94 24.080 14.248 10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 94 25.971 16.456 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.427 16.756 10.971 1.00 0.00 H new ATOM 1459 N PRO A 95 26.600 14.341 11.741 1.00 0.00 N ATOM 1460 CA PRO A 95 27.127 13.545 12.854 1.00 0.00 C ATOM 1461 C PRO A 95 27.871 14.399 13.875 1.00 0.00 C ATOM 1462 O PRO A 95 27.707 14.224 15.082 1.00 0.00 O ATOM 1463 CB PRO A 95 28.087 12.570 12.171 1.00 0.00 C ATOM 1464 CG PRO A 95 28.509 13.265 10.924 1.00 0.00 C ATOM 1465 CD PRO A 95 27.324 14.079 10.482 1.00 0.00 C ATOM 0 HA PRO A 95 26.332 13.056 13.417 1.00 0.00 H new ATOM 0 HB2 PRO A 95 28.943 12.345 12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 95 27.597 11.622 11.949 1.00 0.00 H new ATOM 0 HG2 PRO A 95 29.374 13.902 11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 95 28.798 12.547 10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 95 27.631 15.005 9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 95 26.706 13.534 9.769 1.00 0.00 H new ATOM 1473 N SER A 96 28.690 15.322 13.382 1.00 0.00 N ATOM 1474 CA SER A 96 29.459 16.204 14.252 1.00 0.00 C ATOM 1475 C SER A 96 30.166 17.285 13.440 1.00 0.00 C ATOM 1476 O SER A 96 30.008 18.477 13.704 1.00 0.00 O ATOM 1477 CB SER A 96 30.484 15.397 15.053 1.00 0.00 C ATOM 1478 OG SER A 96 30.007 15.122 16.359 1.00 0.00 O ATOM 0 H SER A 96 28.838 15.479 12.385 1.00 0.00 H new ATOM 0 HA SER A 96 28.768 16.687 14.943 1.00 0.00 H new ATOM 0 HB2 SER A 96 30.699 14.462 14.536 1.00 0.00 H new ATOM 0 HB3 SER A 96 31.421 15.951 15.113 1.00 0.00 H new ATOM 0 HG SER A 96 29.110 14.731 16.304 1.00 0.00 H new ATOM 1484 N SER A 97 30.947 16.861 12.452 1.00 0.00 N ATOM 1485 CA SER A 97 31.679 17.792 11.601 1.00 0.00 C ATOM 1486 C SER A 97 31.661 17.330 10.148 1.00 0.00 C ATOM 1487 O SER A 97 31.040 17.962 9.293 1.00 0.00 O ATOM 1488 CB SER A 97 33.124 17.933 12.087 1.00 0.00 C ATOM 1489 OG SER A 97 33.267 19.051 12.946 1.00 0.00 O ATOM 0 H SER A 97 31.089 15.878 12.221 1.00 0.00 H new ATOM 0 HA SER A 97 31.187 18.763 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 97 33.424 17.026 12.612 1.00 0.00 H new ATOM 0 HB3 SER A 97 33.790 18.041 11.231 1.00 0.00 H new ATOM 0 HG SER A 97 34.198 19.118 13.244 1.00 0.00 H new ATOM 1495 N GLY A 98 32.346 16.225 9.875 1.00 0.00 N ATOM 1496 CA GLY A 98 32.396 15.697 8.525 1.00 0.00 C ATOM 1497 C GLY A 98 32.907 14.271 8.477 1.00 0.00 C ATOM 1498 O GLY A 98 32.337 13.461 7.716 1.00 0.00 O ATOM 1499 OXT GLY A 98 33.879 13.964 9.198 1.00 0.00 O ATOM 0 H GLY A 98 32.868 15.685 10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 98 31.399 15.737 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 98 33.039 16.331 7.914 1.00 0.00 H new TER 1503 GLY A 98