USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl 150:sc= -2.55 (180deg=-4.6!) USER MOD Set 1.2: A 88 MET CE :methyl 151:sc= -5.97! (180deg=-9.45!) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 170:sc= 0.043 (180deg=0) USER MOD Set 2.2: A 49 GLN :FLIP amide:sc= 0.85 F(o=-1.3,f=0.89) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.09 K(o=2.3,f=-4.1!) USER MOD Set 3.2: A 28 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 3 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 4 SER OG : rot -37:sc= -1.68! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.357 USER MOD Single : A 31 SER OG : rot 122:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.195 (180deg=-0.196) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.41 F(o=-2.1,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -37:sc= -0.702 USER MOD Single : A 44 THR OG1 : rot -56:sc= 1.16 USER MOD Single : A 51 THR OG1 : rot 130:sc= 0.133 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -1.95 (180deg=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.235 (180deg=-0.701) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 90 SER OG : rot -28:sc= 0.946 USER MOD Single : A 92 ASN : amide:sc= -0.811 K(o=-0.81,f=-2) USER MOD Single : A 93 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -161:sc= -0.8 (180deg=-1.4) USER MOD Single : A 99 ASN : amide:sc= 0.995 K(o=0.99,f=-0.35) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 168:sc= 0 (180deg=-0.265) USER MOD Single : A 103 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -97:sc= 0.798 USER MOD Single : A 111 TYR OH : rot -43:sc= 0.732 USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= -0.13 (180deg=-0.63) USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 3.550 13.954 8.289 1.00 0.00 N ATOM 29 CA HIS A 3 3.027 12.948 7.372 1.00 0.00 C ATOM 30 C HIS A 3 2.147 11.944 8.110 1.00 0.00 C ATOM 31 O HIS A 3 2.640 10.962 8.664 1.00 0.00 O ATOM 32 CB HIS A 3 4.175 12.219 6.672 1.00 0.00 C ATOM 33 CG HIS A 3 5.082 13.130 5.905 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.648 14.288 5.295 1.00 0.00 N ATOM 35 CD2 HIS A 3 6.410 13.048 5.649 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.667 14.879 4.697 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.748 14.147 4.898 1.00 0.00 N ATOM 0 HA HIS A 3 2.419 13.456 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.760 11.680 7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.761 11.475 5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.078 12.264 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.624 15.803 4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.683 14.363 4.551 1.00 0.00 H new ATOM 46 N SER A 4 0.842 12.199 8.114 1.00 0.00 N ATOM 47 CA SER A 4 -0.106 11.317 8.784 1.00 0.00 C ATOM 48 C SER A 4 -1.531 11.591 8.313 1.00 0.00 C ATOM 49 O SER A 4 -1.809 12.632 7.717 1.00 0.00 O ATOM 50 CB SER A 4 -0.016 11.495 10.301 1.00 0.00 C ATOM 51 OG SER A 4 1.330 11.649 10.717 1.00 0.00 O ATOM 0 H SER A 4 0.418 13.009 7.661 1.00 0.00 H new ATOM 0 HA SER A 4 0.151 10.289 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.595 12.367 10.603 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.457 10.631 10.799 1.00 0.00 H new ATOM 0 HG SER A 4 1.908 11.072 10.175 1.00 0.00 H new ATOM 57 N GLY A 5 -2.430 10.650 8.583 1.00 0.00 N ATOM 58 CA GLY A 5 -3.814 10.811 8.178 1.00 0.00 C ATOM 59 C GLY A 5 -4.706 9.703 8.705 1.00 0.00 C ATOM 60 O GLY A 5 -4.232 8.610 9.016 1.00 0.00 O ATOM 0 H GLY A 5 -2.225 9.780 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.184 11.772 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.871 10.832 7.090 1.00 0.00 H new ATOM 64 N ALA A 6 -6.000 9.986 8.806 1.00 0.00 N ATOM 65 CA ALA A 6 -6.961 9.007 9.299 1.00 0.00 C ATOM 66 C ALA A 6 -7.003 7.776 8.400 1.00 0.00 C ATOM 67 O ALA A 6 -7.527 7.825 7.287 1.00 0.00 O ATOM 68 CB ALA A 6 -8.344 9.633 9.404 1.00 0.00 C ATOM 0 H ALA A 6 -6.408 10.886 8.553 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.641 8.689 10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.052 8.891 9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.310 10.477 10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.662 9.980 8.421 1.00 0.00 H new ATOM 74 N ALA A 7 -6.448 6.673 8.892 1.00 0.00 N ATOM 75 CA ALA A 7 -6.423 5.427 8.135 1.00 0.00 C ATOM 76 C ALA A 7 -6.991 4.276 8.958 1.00 0.00 C ATOM 77 O ALA A 7 -6.994 4.323 10.188 1.00 0.00 O ATOM 78 CB ALA A 7 -5.003 5.109 7.690 1.00 0.00 C ATOM 0 H ALA A 7 -6.010 6.617 9.811 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.049 5.553 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.999 4.176 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.630 5.916 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.362 5.007 8.565 1.00 0.00 H new ATOM 84 N ILE A 8 -7.472 3.244 8.272 1.00 0.00 N ATOM 85 CA ILE A 8 -8.043 2.083 8.943 1.00 0.00 C ATOM 86 C ILE A 8 -7.456 0.787 8.394 1.00 0.00 C ATOM 87 O ILE A 8 -7.646 0.453 7.224 1.00 0.00 O ATOM 88 CB ILE A 8 -9.576 2.044 8.793 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.180 3.395 9.181 1.00 0.00 C ATOM 90 CG2 ILE A 8 -10.165 0.928 9.643 1.00 0.00 C ATOM 91 CD1 ILE A 8 -11.692 3.428 9.105 1.00 0.00 C ATOM 0 H ILE A 8 -7.478 3.189 7.254 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.792 2.173 10.000 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.820 1.843 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.870 3.644 10.196 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.775 4.166 8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.249 0.914 9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.753 -0.029 9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.916 1.098 10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.049 4.416 9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.010 3.211 8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.107 2.680 9.781 1.00 0.00 H new ATOM 103 N PHE A 9 -6.743 0.059 9.248 1.00 0.00 N ATOM 104 CA PHE A 9 -6.129 -1.202 8.852 1.00 0.00 C ATOM 105 C PHE A 9 -6.710 -2.363 9.652 1.00 0.00 C ATOM 106 O PHE A 9 -6.945 -2.246 10.855 1.00 0.00 O ATOM 107 CB PHE A 9 -4.613 -1.139 9.051 1.00 0.00 C ATOM 108 CG PHE A 9 -3.863 -2.195 8.289 1.00 0.00 C ATOM 109 CD1 PHE A 9 -4.050 -2.348 6.925 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.971 -3.033 8.938 1.00 0.00 C ATOM 111 CE1 PHE A 9 -3.362 -3.318 6.221 1.00 0.00 C ATOM 112 CE2 PHE A 9 -2.280 -4.005 8.239 1.00 0.00 C ATOM 113 CZ PHE A 9 -2.475 -4.148 6.879 1.00 0.00 C ATOM 0 H PHE A 9 -6.577 0.322 10.219 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.344 -1.367 7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.255 -0.157 8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.390 -1.241 10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.742 -1.701 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.814 -2.926 10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.518 -3.427 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.588 -4.653 8.756 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.935 -4.907 6.332 1.00 0.00 H new ATOM 123 N GLU A 10 -6.942 -3.483 8.976 1.00 0.00 N ATOM 124 CA GLU A 10 -7.497 -4.666 9.625 1.00 0.00 C ATOM 125 C GLU A 10 -8.876 -4.371 10.207 1.00 0.00 C ATOM 126 O GLU A 10 -9.273 -4.955 11.215 1.00 0.00 O ATOM 127 CB GLU A 10 -6.559 -5.155 10.729 1.00 0.00 C ATOM 128 CG GLU A 10 -5.143 -5.428 10.248 1.00 0.00 C ATOM 129 CD GLU A 10 -4.532 -6.654 10.898 1.00 0.00 C ATOM 130 OE1 GLU A 10 -4.196 -6.584 12.098 1.00 0.00 O ATOM 131 OE2 GLU A 10 -4.391 -7.684 10.206 1.00 0.00 O ATOM 0 H GLU A 10 -6.755 -3.597 7.980 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.600 -5.448 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.526 -4.409 11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.968 -6.067 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.150 -5.561 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.518 -4.560 10.459 1.00 0.00 H new ATOM 138 N LYS A 11 -9.603 -3.462 9.564 1.00 0.00 N ATOM 139 CA LYS A 11 -10.939 -3.091 10.017 1.00 0.00 C ATOM 140 C LYS A 11 -10.888 -2.435 11.394 1.00 0.00 C ATOM 141 O LYS A 11 -11.765 -2.653 12.230 1.00 0.00 O ATOM 142 CB LYS A 11 -11.849 -4.321 10.059 1.00 0.00 C ATOM 143 CG LYS A 11 -13.286 -4.029 9.659 1.00 0.00 C ATOM 144 CD LYS A 11 -13.980 -3.145 10.683 1.00 0.00 C ATOM 145 CE LYS A 11 -15.486 -3.134 10.480 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.176 -4.093 11.387 1.00 0.00 N ATOM 0 H LYS A 11 -9.289 -2.969 8.728 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.346 -2.371 9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.444 -5.085 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.838 -4.736 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.302 -3.540 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.833 -4.966 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.750 -3.500 11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.594 -2.128 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.869 -2.129 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.715 -3.385 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.201 -4.055 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.830 -5.056 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.979 -3.838 12.376 1.00 0.00 H new ATOM 160 N VAL A 12 -9.857 -1.628 11.622 1.00 0.00 N ATOM 161 CA VAL A 12 -9.693 -0.939 12.896 1.00 0.00 C ATOM 162 C VAL A 12 -9.477 0.556 12.686 1.00 0.00 C ATOM 163 O VAL A 12 -8.624 0.967 11.899 1.00 0.00 O ATOM 164 CB VAL A 12 -8.511 -1.514 13.701 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.383 -0.817 15.050 1.00 0.00 C ATOM 166 CG2 VAL A 12 -8.677 -3.013 13.884 1.00 0.00 C ATOM 0 H VAL A 12 -9.123 -1.435 10.941 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.612 -1.094 13.461 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.594 -1.333 13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.542 -1.240 15.600 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.216 0.249 14.894 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.300 -0.961 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.835 -3.405 14.454 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.604 -3.214 14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.711 -3.497 12.908 1.00 0.00 H new ATOM 176 N SER A 13 -10.255 1.363 13.397 1.00 0.00 N ATOM 177 CA SER A 13 -10.152 2.813 13.293 1.00 0.00 C ATOM 178 C SER A 13 -8.916 3.323 14.026 1.00 0.00 C ATOM 179 O SER A 13 -8.758 3.100 15.227 1.00 0.00 O ATOM 180 CB SER A 13 -11.407 3.478 13.861 1.00 0.00 C ATOM 181 OG SER A 13 -12.480 3.415 12.938 1.00 0.00 O ATOM 0 H SER A 13 -10.965 1.037 14.053 1.00 0.00 H new ATOM 0 HA SER A 13 -10.060 3.071 12.238 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.694 2.986 14.791 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.193 4.519 14.104 1.00 0.00 H new ATOM 0 HG SER A 13 -13.271 3.845 13.326 1.00 0.00 H new ATOM 187 N GLY A 14 -8.040 4.007 13.297 1.00 0.00 N ATOM 188 CA GLY A 14 -6.830 4.536 13.896 1.00 0.00 C ATOM 189 C GLY A 14 -6.191 5.623 13.054 1.00 0.00 C ATOM 190 O GLY A 14 -6.726 6.006 12.014 1.00 0.00 O ATOM 0 H GLY A 14 -8.147 4.204 12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.062 4.935 14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.116 3.725 14.040 1.00 0.00 H new ATOM 194 N ILE A 15 -5.045 6.121 13.506 1.00 0.00 N ATOM 195 CA ILE A 15 -4.332 7.171 12.788 1.00 0.00 C ATOM 196 C ILE A 15 -3.010 6.655 12.229 1.00 0.00 C ATOM 197 O ILE A 15 -2.202 6.074 12.953 1.00 0.00 O ATOM 198 CB ILE A 15 -4.053 8.383 13.697 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.328 8.804 14.429 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.496 9.540 12.880 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.440 9.242 13.501 1.00 0.00 C ATOM 0 H ILE A 15 -4.590 5.814 14.366 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.975 7.483 11.965 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.309 8.098 14.441 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.680 7.971 15.037 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.093 9.620 15.112 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.304 10.389 13.536 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.566 9.233 12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.219 9.828 12.117 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.313 9.526 14.088 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.106 10.095 12.910 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.703 8.420 12.835 1.00 0.00 H new ATOM 213 N ILE A 16 -2.797 6.873 10.935 1.00 0.00 N ATOM 214 CA ILE A 16 -1.575 6.432 10.277 1.00 0.00 C ATOM 215 C ILE A 16 -0.603 7.598 10.100 1.00 0.00 C ATOM 216 O ILE A 16 -0.956 8.634 9.535 1.00 0.00 O ATOM 217 CB ILE A 16 -1.888 5.775 8.905 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.740 4.257 9.001 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.993 6.319 7.798 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.390 3.512 7.856 1.00 0.00 C ATOM 0 H ILE A 16 -3.456 7.353 10.322 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.104 5.684 10.914 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.918 6.023 8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.680 4.005 9.032 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.177 3.916 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.245 5.833 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.144 7.394 7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.050 6.119 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.245 2.440 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.457 3.734 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.937 3.824 6.915 1.00 0.00 H new ATOM 232 N ALA A 17 0.620 7.421 10.587 1.00 0.00 N ATOM 233 CA ALA A 17 1.642 8.455 10.484 1.00 0.00 C ATOM 234 C ALA A 17 2.973 7.865 10.030 1.00 0.00 C ATOM 235 O ALA A 17 3.385 6.805 10.500 1.00 0.00 O ATOM 236 CB ALA A 17 1.807 9.170 11.817 1.00 0.00 C ATOM 0 H ALA A 17 0.928 6.570 11.058 1.00 0.00 H new ATOM 0 HA ALA A 17 1.319 9.178 9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.574 9.939 11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.862 9.632 12.102 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.104 8.452 12.581 1.00 0.00 H new ATOM 242 N ILE A 18 3.640 8.557 9.113 1.00 0.00 N ATOM 243 CA ILE A 18 4.924 8.099 8.596 1.00 0.00 C ATOM 244 C ILE A 18 6.078 8.626 9.440 1.00 0.00 C ATOM 245 O ILE A 18 6.111 9.802 9.800 1.00 0.00 O ATOM 246 CB ILE A 18 5.130 8.538 7.134 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.897 8.196 6.296 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.373 7.879 6.553 1.00 0.00 C ATOM 249 CD1 ILE A 18 4.010 8.625 4.850 1.00 0.00 C ATOM 0 H ILE A 18 3.313 9.436 8.713 1.00 0.00 H new ATOM 0 HA ILE A 18 4.912 7.010 8.643 1.00 0.00 H new ATOM 0 HB ILE A 18 5.271 9.619 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.729 7.120 6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.023 8.672 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.505 8.199 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.246 8.170 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.259 6.795 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.100 8.350 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.147 9.705 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.864 8.129 4.389 1.00 0.00 H new ATOM 261 N ASN A 19 7.024 7.746 9.752 1.00 0.00 N ATOM 262 CA ASN A 19 8.183 8.121 10.554 1.00 0.00 C ATOM 263 C ASN A 19 9.440 8.185 9.693 1.00 0.00 C ATOM 264 O ASN A 19 9.921 7.163 9.202 1.00 0.00 O ATOM 265 CB ASN A 19 8.383 7.125 11.697 1.00 0.00 C ATOM 266 CG ASN A 19 7.471 7.404 12.875 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.255 7.234 12.787 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.054 7.837 13.986 1.00 0.00 N ATOM 0 H ASN A 19 7.011 6.768 9.462 1.00 0.00 H new ATOM 0 HA ASN A 19 8.000 9.110 10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.200 6.115 11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.421 7.161 12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.490 8.043 14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.066 7.964 14.015 1.00 0.00 H new ATOM 275 N GLU A 20 9.967 9.392 9.513 1.00 0.00 N ATOM 276 CA GLU A 20 11.168 9.589 8.709 1.00 0.00 C ATOM 277 C GLU A 20 12.383 9.852 9.594 1.00 0.00 C ATOM 278 O GLU A 20 13.343 10.495 9.169 1.00 0.00 O ATOM 279 CB GLU A 20 10.971 10.752 7.735 1.00 0.00 C ATOM 280 CG GLU A 20 9.667 10.681 6.957 1.00 0.00 C ATOM 281 CD GLU A 20 9.853 10.127 5.558 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.826 9.374 5.342 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.025 10.445 4.679 1.00 0.00 O ATOM 0 H GLU A 20 9.582 10.248 9.913 1.00 0.00 H new ATOM 0 HA GLU A 20 11.347 8.675 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.002 11.689 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.803 10.771 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.958 10.056 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.231 11.678 6.894 1.00 0.00 H new ATOM 290 N ASP A 21 12.338 9.348 10.823 1.00 0.00 N ATOM 291 CA ASP A 21 13.440 9.528 11.762 1.00 0.00 C ATOM 292 C ASP A 21 14.348 8.301 11.778 1.00 0.00 C ATOM 293 O ASP A 21 15.063 8.058 12.751 1.00 0.00 O ATOM 294 CB ASP A 21 12.902 9.797 13.168 1.00 0.00 C ATOM 295 CG ASP A 21 11.977 8.698 13.654 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.291 7.512 13.420 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.939 9.023 14.268 1.00 0.00 O ATOM 0 H ASP A 21 11.552 8.813 11.192 1.00 0.00 H new ATOM 0 HA ASP A 21 14.026 10.387 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.738 9.897 13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.367 10.747 13.174 1.00 0.00 H new ATOM 302 N VAL A 22 14.313 7.530 10.696 1.00 0.00 N ATOM 303 CA VAL A 22 15.128 6.327 10.584 1.00 0.00 C ATOM 304 C VAL A 22 15.401 5.998 9.119 1.00 0.00 C ATOM 305 O VAL A 22 14.565 6.257 8.253 1.00 0.00 O ATOM 306 CB VAL A 22 14.436 5.127 11.261 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.096 4.838 10.601 1.00 0.00 C ATOM 308 CG2 VAL A 22 15.329 3.895 11.236 1.00 0.00 C ATOM 0 H VAL A 22 13.727 7.718 9.883 1.00 0.00 H new ATOM 0 HA VAL A 22 16.074 6.519 11.091 1.00 0.00 H new ATOM 0 HB VAL A 22 14.254 5.386 12.304 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.624 3.988 11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.451 5.712 10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.252 4.607 9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.816 3.064 11.720 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.555 3.630 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.257 4.107 11.767 1.00 0.00 H new ATOM 318 N SER A 23 16.578 5.434 8.843 1.00 0.00 N ATOM 319 CA SER A 23 16.956 5.079 7.474 1.00 0.00 C ATOM 320 C SER A 23 15.794 4.397 6.746 1.00 0.00 C ATOM 321 O SER A 23 15.199 4.981 5.840 1.00 0.00 O ATOM 322 CB SER A 23 18.198 4.180 7.476 1.00 0.00 C ATOM 323 OG SER A 23 18.202 3.302 6.363 1.00 0.00 O ATOM 0 H SER A 23 17.283 5.214 9.546 1.00 0.00 H new ATOM 0 HA SER A 23 17.197 5.997 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 23 19.096 4.797 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.228 3.601 8.399 1.00 0.00 H new ATOM 0 HG SER A 23 19.006 2.743 6.390 1.00 0.00 H new ATOM 329 N PRO A 24 15.438 3.161 7.141 1.00 0.00 N ATOM 330 CA PRO A 24 14.327 2.435 6.521 1.00 0.00 C ATOM 331 C PRO A 24 12.984 3.064 6.873 1.00 0.00 C ATOM 332 O PRO A 24 12.365 2.706 7.875 1.00 0.00 O ATOM 333 CB PRO A 24 14.435 1.033 7.124 1.00 0.00 C ATOM 334 CG PRO A 24 15.115 1.239 8.432 1.00 0.00 C ATOM 335 CD PRO A 24 16.069 2.383 8.223 1.00 0.00 C ATOM 0 HA PRO A 24 14.381 2.443 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.452 0.581 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.009 0.367 6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.393 1.470 9.216 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.646 0.339 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.188 2.978 9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.061 2.032 7.940 1.00 0.00 H new ATOM 343 N ALA A 25 12.546 4.015 6.049 1.00 0.00 N ATOM 344 CA ALA A 25 11.281 4.713 6.272 1.00 0.00 C ATOM 345 C ALA A 25 10.183 3.759 6.734 1.00 0.00 C ATOM 346 O ALA A 25 9.822 2.820 6.025 1.00 0.00 O ATOM 347 CB ALA A 25 10.851 5.439 5.006 1.00 0.00 C ATOM 0 H ALA A 25 13.051 4.321 5.217 1.00 0.00 H new ATOM 0 HA ALA A 25 11.440 5.442 7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.908 5.955 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.614 6.165 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.723 4.718 4.199 1.00 0.00 H new ATOM 353 N GLU A 26 9.660 4.007 7.931 1.00 0.00 N ATOM 354 CA GLU A 26 8.606 3.170 8.492 1.00 0.00 C ATOM 355 C GLU A 26 7.360 3.992 8.804 1.00 0.00 C ATOM 356 O GLU A 26 7.452 5.168 9.158 1.00 0.00 O ATOM 357 CB GLU A 26 9.101 2.474 9.762 1.00 0.00 C ATOM 358 CG GLU A 26 9.814 3.407 10.727 1.00 0.00 C ATOM 359 CD GLU A 26 9.653 2.983 12.174 1.00 0.00 C ATOM 360 OE1 GLU A 26 10.385 2.070 12.609 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.794 3.563 12.870 1.00 0.00 O ATOM 0 H GLU A 26 9.949 4.780 8.530 1.00 0.00 H new ATOM 0 HA GLU A 26 8.344 2.417 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.252 2.018 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.778 1.666 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.875 3.440 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.426 4.418 10.603 1.00 0.00 H new ATOM 368 N LEU A 27 6.196 3.365 8.671 1.00 0.00 N ATOM 369 CA LEU A 27 4.929 4.035 8.939 1.00 0.00 C ATOM 370 C LEU A 27 4.262 3.453 10.181 1.00 0.00 C ATOM 371 O LEU A 27 4.125 2.236 10.312 1.00 0.00 O ATOM 372 CB LEU A 27 3.997 3.905 7.732 1.00 0.00 C ATOM 373 CG LEU A 27 2.585 4.457 7.939 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.983 4.893 6.611 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.701 3.418 8.616 1.00 0.00 C ATOM 0 H LEU A 27 6.104 2.392 8.379 1.00 0.00 H new ATOM 0 HA LEU A 27 5.131 5.091 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.451 4.420 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.922 2.852 7.462 1.00 0.00 H new ATOM 0 HG LEU A 27 2.646 5.330 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.979 5.283 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.605 5.670 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.933 4.039 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.700 3.827 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.645 2.526 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.124 3.156 9.586 1.00 0.00 H new ATOM 387 N THR A 28 3.850 4.329 11.092 1.00 0.00 N ATOM 388 CA THR A 28 3.199 3.900 12.325 1.00 0.00 C ATOM 389 C THR A 28 1.683 4.025 12.215 1.00 0.00 C ATOM 390 O THR A 28 1.171 4.891 11.506 1.00 0.00 O ATOM 391 CB THR A 28 3.706 4.727 13.507 1.00 0.00 C ATOM 392 OG1 THR A 28 5.069 5.070 13.332 1.00 0.00 O ATOM 393 CG2 THR A 28 3.580 4.012 14.835 1.00 0.00 C ATOM 0 H THR A 28 3.955 5.339 11.000 1.00 0.00 H new ATOM 0 HA THR A 28 3.446 2.851 12.490 1.00 0.00 H new ATOM 0 HB THR A 28 3.075 5.616 13.529 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.135 5.990 13.000 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.957 4.654 15.631 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.532 3.777 15.024 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.159 3.089 14.808 1.00 0.00 H new ATOM 401 N TRP A 29 0.971 3.154 12.924 1.00 0.00 N ATOM 402 CA TRP A 29 -0.487 3.165 12.910 1.00 0.00 C ATOM 403 C TRP A 29 -1.043 2.841 14.294 1.00 0.00 C ATOM 404 O TRP A 29 -0.905 1.719 14.782 1.00 0.00 O ATOM 405 CB TRP A 29 -1.014 2.161 11.879 1.00 0.00 C ATOM 406 CG TRP A 29 -2.498 1.949 11.948 1.00 0.00 C ATOM 407 CD1 TRP A 29 -3.471 2.894 11.793 1.00 0.00 C ATOM 408 CD2 TRP A 29 -3.175 0.711 12.193 1.00 0.00 C ATOM 409 NE1 TRP A 29 -4.712 2.320 11.926 1.00 0.00 N ATOM 410 CE2 TRP A 29 -4.557 0.980 12.172 1.00 0.00 C ATOM 411 CE3 TRP A 29 -2.748 -0.599 12.427 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -5.512 -0.012 12.377 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -3.697 -1.583 12.630 1.00 0.00 C ATOM 414 CH2 TRP A 29 -5.065 -1.285 12.603 1.00 0.00 C ATOM 0 H TRP A 29 1.381 2.431 13.516 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.820 4.165 12.632 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.751 2.508 10.880 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.512 1.205 12.026 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.291 3.940 11.595 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.603 2.811 11.854 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.695 -0.838 12.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.568 0.215 12.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.378 -2.599 12.812 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.782 -2.077 12.764 1.00 0.00 H new ATOM 425 N ARG A 30 -1.672 3.830 14.920 1.00 0.00 N ATOM 426 CA ARG A 30 -2.250 3.650 16.246 1.00 0.00 C ATOM 427 C ARG A 30 -3.767 3.800 16.202 1.00 0.00 C ATOM 428 O ARG A 30 -4.290 4.749 15.616 1.00 0.00 O ATOM 429 CB ARG A 30 -1.655 4.662 17.227 1.00 0.00 C ATOM 430 CG ARG A 30 -1.613 6.082 16.686 1.00 0.00 C ATOM 431 CD ARG A 30 -1.883 7.104 17.779 1.00 0.00 C ATOM 432 NE ARG A 30 -3.310 7.231 18.068 1.00 0.00 N ATOM 433 CZ ARG A 30 -3.847 8.270 18.705 1.00 0.00 C ATOM 434 NH1 ARG A 30 -3.082 9.272 19.119 1.00 0.00 N ATOM 435 NH2 ARG A 30 -5.154 8.306 18.927 1.00 0.00 N ATOM 0 H ARG A 30 -1.794 4.765 14.530 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.011 2.642 16.585 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.239 4.650 18.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.643 4.351 17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.637 6.274 16.240 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.353 6.192 15.893 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.354 6.813 18.686 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.487 8.073 17.475 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.930 6.481 17.764 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.076 9.249 18.950 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.500 10.065 19.606 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.746 7.539 18.610 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.567 9.101 19.415 1.00 0.00 H new ATOM 449 N SER A 31 -4.470 2.858 16.823 1.00 0.00 N ATOM 450 CA SER A 31 -5.928 2.886 16.853 1.00 0.00 C ATOM 451 C SER A 31 -6.435 4.181 17.482 1.00 0.00 C ATOM 452 O SER A 31 -5.738 4.810 18.279 1.00 0.00 O ATOM 453 CB SER A 31 -6.467 1.682 17.628 1.00 0.00 C ATOM 454 OG SER A 31 -6.430 1.916 19.025 1.00 0.00 O ATOM 0 H SER A 31 -4.053 2.066 17.312 1.00 0.00 H new ATOM 0 HA SER A 31 -6.289 2.838 15.825 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.491 1.475 17.318 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.877 0.798 17.389 1.00 0.00 H new ATOM 0 HG SER A 31 -7.333 1.830 19.395 1.00 0.00 H new ATOM 460 N THR A 32 -7.652 4.573 17.118 1.00 0.00 N ATOM 461 CA THR A 32 -8.252 5.794 17.645 1.00 0.00 C ATOM 462 C THR A 32 -8.324 5.753 19.169 1.00 0.00 C ATOM 463 O THR A 32 -7.933 6.705 19.844 1.00 0.00 O ATOM 464 CB THR A 32 -9.653 5.990 17.063 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.457 4.848 17.294 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.649 6.256 15.573 1.00 0.00 C ATOM 0 H THR A 32 -8.242 4.063 16.460 1.00 0.00 H new ATOM 0 HA THR A 32 -7.622 6.634 17.352 1.00 0.00 H new ATOM 0 HB THR A 32 -10.057 6.865 17.571 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.349 4.994 16.916 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.673 6.386 15.224 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.078 7.161 15.367 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.193 5.413 15.054 1.00 0.00 H new ATOM 474 N ASP A 33 -8.826 4.645 19.703 1.00 0.00 N ATOM 475 CA ASP A 33 -8.949 4.480 21.147 1.00 0.00 C ATOM 476 C ASP A 33 -7.575 4.402 21.805 1.00 0.00 C ATOM 477 O ASP A 33 -7.397 4.828 22.946 1.00 0.00 O ATOM 478 CB ASP A 33 -9.755 3.222 21.471 1.00 0.00 C ATOM 479 CG ASP A 33 -10.570 3.368 22.742 1.00 0.00 C ATOM 480 OD1 ASP A 33 -9.962 3.535 23.820 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.815 3.317 22.658 1.00 0.00 O ATOM 0 H ASP A 33 -9.154 3.848 19.158 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.472 5.350 21.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.422 2.997 20.639 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.076 2.375 21.573 1.00 0.00 H new ATOM 486 N GLY A 34 -6.607 3.854 21.078 1.00 0.00 N ATOM 487 CA GLY A 34 -5.261 3.730 21.608 1.00 0.00 C ATOM 488 C GLY A 34 -5.036 2.408 22.316 1.00 0.00 C ATOM 489 O GLY A 34 -4.448 2.368 23.396 1.00 0.00 O ATOM 0 H GLY A 34 -6.730 3.494 20.132 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.543 3.830 20.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.071 4.548 22.303 1.00 0.00 H new ATOM 493 N ASP A 35 -5.505 1.325 21.705 1.00 0.00 N ATOM 494 CA ASP A 35 -5.352 -0.005 22.284 1.00 0.00 C ATOM 495 C ASP A 35 -4.469 -0.884 21.404 1.00 0.00 C ATOM 496 O ASP A 35 -3.658 -1.664 21.903 1.00 0.00 O ATOM 497 CB ASP A 35 -6.720 -0.663 22.472 1.00 0.00 C ATOM 498 CG ASP A 35 -6.787 -1.509 23.728 1.00 0.00 C ATOM 499 OD1 ASP A 35 -5.972 -2.447 23.857 1.00 0.00 O ATOM 500 OD2 ASP A 35 -7.655 -1.234 24.584 1.00 0.00 O ATOM 0 H ASP A 35 -5.994 1.342 20.810 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.872 0.103 23.256 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.488 0.109 22.516 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.943 -1.286 21.606 1.00 0.00 H new ATOM 505 N LYS A 36 -4.632 -0.751 20.091 1.00 0.00 N ATOM 506 CA LYS A 36 -3.849 -1.532 19.140 1.00 0.00 C ATOM 507 C LYS A 36 -3.038 -0.621 18.225 1.00 0.00 C ATOM 508 O LYS A 36 -3.544 0.385 17.728 1.00 0.00 O ATOM 509 CB LYS A 36 -4.767 -2.427 18.306 1.00 0.00 C ATOM 510 CG LYS A 36 -5.005 -3.797 18.921 1.00 0.00 C ATOM 511 CD LYS A 36 -6.475 -4.022 19.238 1.00 0.00 C ATOM 512 CE LYS A 36 -7.159 -4.839 18.154 1.00 0.00 C ATOM 513 NZ LYS A 36 -7.305 -4.071 16.887 1.00 0.00 N ATOM 0 H LYS A 36 -5.299 -0.110 19.662 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.157 -2.158 19.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.726 -1.926 18.173 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.334 -2.554 17.314 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.658 -4.569 18.235 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.417 -3.894 19.834 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.568 -4.535 20.195 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.977 -3.060 19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.583 -5.745 17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.143 -5.154 18.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.048 -4.504 16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.565 -3.088 17.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.404 -4.084 16.368 1.00 0.00 H new ATOM 527 N VAL A 37 -1.777 -0.979 18.008 1.00 0.00 N ATOM 528 CA VAL A 37 -0.897 -0.193 17.152 1.00 0.00 C ATOM 529 C VAL A 37 0.115 -1.085 16.437 1.00 0.00 C ATOM 530 O VAL A 37 0.822 -1.869 17.069 1.00 0.00 O ATOM 531 CB VAL A 37 -0.144 0.883 17.961 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.757 0.240 19.005 1.00 0.00 C ATOM 533 CG2 VAL A 37 0.658 1.787 17.036 1.00 0.00 C ATOM 0 H VAL A 37 -1.342 -1.808 18.413 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.528 0.298 16.411 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.880 1.496 18.481 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.278 1.017 19.564 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.153 -0.356 19.689 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.486 -0.402 18.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.182 2.539 17.626 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.383 1.190 16.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.016 2.280 16.335 1.00 0.00 H new ATOM 543 N HIS A 38 0.177 -0.957 15.115 1.00 0.00 N ATOM 544 CA HIS A 38 1.102 -1.750 14.313 1.00 0.00 C ATOM 545 C HIS A 38 1.940 -0.854 13.406 1.00 0.00 C ATOM 546 O HIS A 38 1.495 0.216 12.992 1.00 0.00 O ATOM 547 CB HIS A 38 0.333 -2.771 13.472 1.00 0.00 C ATOM 548 CG HIS A 38 1.218 -3.670 12.666 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.807 -3.486 11.460 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.588 -4.932 13.081 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.514 -4.627 11.174 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.367 -5.484 12.167 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.402 -0.312 14.577 1.00 0.00 H new ATOM 0 HA HIS A 38 1.772 -2.279 14.991 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.286 -3.380 14.131 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.342 -2.241 12.800 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.288 -5.397 14.008 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.097 -4.796 10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.783 -6.414 12.220 1.00 0.00 H new ATOM 561 N THR A 39 3.155 -1.299 13.102 1.00 0.00 N ATOM 562 CA THR A 39 4.056 -0.537 12.244 1.00 0.00 C ATOM 563 C THR A 39 4.293 -1.260 10.922 1.00 0.00 C ATOM 564 O THR A 39 4.295 -2.489 10.867 1.00 0.00 O ATOM 565 CB THR A 39 5.389 -0.298 12.954 1.00 0.00 C ATOM 566 OG1 THR A 39 5.224 -0.341 14.360 1.00 0.00 O ATOM 567 CG2 THR A 39 6.023 1.031 12.606 1.00 0.00 C ATOM 0 H THR A 39 3.538 -2.183 13.437 1.00 0.00 H new ATOM 0 HA THR A 39 3.587 0.424 12.032 1.00 0.00 H new ATOM 0 HB THR A 39 6.046 -1.097 12.610 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.088 -0.188 14.796 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.965 1.137 13.144 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.211 1.075 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.351 1.840 12.890 1.00 0.00 H new ATOM 575 N VAL A 40 4.493 -0.487 9.859 1.00 0.00 N ATOM 576 CA VAL A 40 4.732 -1.053 8.537 1.00 0.00 C ATOM 577 C VAL A 40 5.875 -0.332 7.830 1.00 0.00 C ATOM 578 O VAL A 40 5.757 0.841 7.475 1.00 0.00 O ATOM 579 CB VAL A 40 3.466 -0.981 7.659 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.038 0.463 7.450 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.699 -1.675 6.324 1.00 0.00 C ATOM 0 H VAL A 40 4.494 0.533 9.888 1.00 0.00 H new ATOM 0 HA VAL A 40 5.003 -2.099 8.682 1.00 0.00 H new ATOM 0 HB VAL A 40 2.660 -1.501 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.143 0.491 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.824 0.922 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.840 1.012 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.794 -1.613 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.520 -1.188 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.949 -2.722 6.497 1.00 0.00 H new ATOM 591 N VAL A 41 6.981 -1.040 7.628 1.00 0.00 N ATOM 592 CA VAL A 41 8.146 -0.468 6.964 1.00 0.00 C ATOM 593 C VAL A 41 7.834 -0.114 5.514 1.00 0.00 C ATOM 594 O VAL A 41 7.754 -0.991 4.654 1.00 0.00 O ATOM 595 CB VAL A 41 9.345 -1.434 6.997 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.601 -0.747 6.485 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.558 -1.972 8.404 1.00 0.00 C ATOM 0 H VAL A 41 7.095 -2.012 7.915 1.00 0.00 H new ATOM 0 HA VAL A 41 8.405 0.439 7.510 1.00 0.00 H new ATOM 0 HB VAL A 41 9.127 -2.276 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.437 -1.446 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.442 -0.417 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.826 0.115 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.409 -2.653 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.753 -1.143 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.665 -2.506 8.728 1.00 0.00 H new ATOM 607 N LEU A 42 7.658 1.177 5.250 1.00 0.00 N ATOM 608 CA LEU A 42 7.354 1.648 3.904 1.00 0.00 C ATOM 609 C LEU A 42 8.470 1.279 2.932 1.00 0.00 C ATOM 610 O LEU A 42 8.232 1.106 1.736 1.00 0.00 O ATOM 611 CB LEU A 42 7.144 3.163 3.907 1.00 0.00 C ATOM 612 CG LEU A 42 5.861 3.638 4.591 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.720 5.147 4.472 1.00 0.00 C ATOM 614 CD2 LEU A 42 4.649 2.938 3.994 1.00 0.00 C ATOM 0 H LEU A 42 7.721 1.915 5.951 1.00 0.00 H new ATOM 0 HA LEU A 42 6.436 1.161 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.995 3.631 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.140 3.516 2.876 1.00 0.00 H new ATOM 0 HG LEU A 42 5.919 3.382 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.802 5.467 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.574 5.631 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.684 5.427 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.745 3.288 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.587 3.163 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.746 1.861 4.132 1.00 0.00 H new ATOM 626 N SER A 43 9.689 1.160 3.451 1.00 0.00 N ATOM 627 CA SER A 43 10.841 0.812 2.626 1.00 0.00 C ATOM 628 C SER A 43 10.608 -0.505 1.891 1.00 0.00 C ATOM 629 O SER A 43 11.120 -0.713 0.791 1.00 0.00 O ATOM 630 CB SER A 43 12.101 0.711 3.489 1.00 0.00 C ATOM 631 OG SER A 43 12.108 1.705 4.499 1.00 0.00 O ATOM 0 H SER A 43 9.904 1.299 4.438 1.00 0.00 H new ATOM 0 HA SER A 43 10.977 1.601 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.154 -0.277 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.985 0.820 2.861 1.00 0.00 H new ATOM 0 HG SER A 43 11.725 2.535 4.144 1.00 0.00 H new ATOM 637 N THR A 44 9.831 -1.390 2.507 1.00 0.00 N ATOM 638 CA THR A 44 9.528 -2.687 1.911 1.00 0.00 C ATOM 639 C THR A 44 8.636 -2.528 0.684 1.00 0.00 C ATOM 640 O THR A 44 8.681 -3.342 -0.238 1.00 0.00 O ATOM 641 CB THR A 44 8.848 -3.595 2.936 1.00 0.00 C ATOM 642 OG1 THR A 44 7.564 -3.100 3.271 1.00 0.00 O ATOM 643 CG2 THR A 44 9.633 -3.741 4.222 1.00 0.00 C ATOM 0 H THR A 44 9.400 -1.233 3.418 1.00 0.00 H new ATOM 0 HA THR A 44 10.467 -3.143 1.597 1.00 0.00 H new ATOM 0 HB THR A 44 8.783 -4.572 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.643 -2.177 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.094 -4.398 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.612 -4.168 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.759 -2.762 4.684 1.00 0.00 H new ATOM 651 N ILE A 45 7.825 -1.474 0.679 1.00 0.00 N ATOM 652 CA ILE A 45 6.924 -1.210 -0.436 1.00 0.00 C ATOM 653 C ILE A 45 7.702 -0.986 -1.729 1.00 0.00 C ATOM 654 O ILE A 45 8.863 -0.579 -1.703 1.00 0.00 O ATOM 655 CB ILE A 45 6.035 0.020 -0.164 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.344 -0.110 1.196 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.005 0.187 -1.271 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.524 -1.373 1.340 1.00 0.00 C ATOM 0 H ILE A 45 7.774 -0.790 1.434 1.00 0.00 H new ATOM 0 HA ILE A 45 6.289 -2.089 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 45 6.668 0.907 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.099 -0.085 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.696 0.753 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.386 1.060 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.515 0.322 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.375 -0.701 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.064 -1.397 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.746 -1.391 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.170 -2.242 1.219 1.00 0.00 H new ATOM 670 N ASP A 46 7.053 -1.254 -2.858 1.00 0.00 N ATOM 671 CA ASP A 46 7.685 -1.081 -4.161 1.00 0.00 C ATOM 672 C ASP A 46 6.922 -0.065 -5.005 1.00 0.00 C ATOM 673 O ASP A 46 7.511 0.861 -5.562 1.00 0.00 O ATOM 674 CB ASP A 46 7.757 -2.420 -4.897 1.00 0.00 C ATOM 675 CG ASP A 46 8.710 -2.381 -6.076 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.666 -1.396 -6.843 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.501 -3.335 -6.231 1.00 0.00 O ATOM 0 H ASP A 46 6.091 -1.591 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 46 8.696 -0.707 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.075 -3.197 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.761 -2.693 -5.247 1.00 0.00 H new ATOM 682 N LYS A 47 5.608 -0.245 -5.095 1.00 0.00 N ATOM 683 CA LYS A 47 4.765 0.654 -5.870 1.00 0.00 C ATOM 684 C LYS A 47 3.567 1.115 -5.041 1.00 0.00 C ATOM 685 O LYS A 47 3.189 0.469 -4.064 1.00 0.00 O ATOM 686 CB LYS A 47 4.304 -0.044 -7.160 1.00 0.00 C ATOM 687 CG LYS A 47 2.854 0.222 -7.536 1.00 0.00 C ATOM 688 CD LYS A 47 2.510 -0.375 -8.891 1.00 0.00 C ATOM 689 CE LYS A 47 2.358 -1.886 -8.811 1.00 0.00 C ATOM 690 NZ LYS A 47 1.372 -2.398 -9.802 1.00 0.00 N ATOM 0 H LYS A 47 5.105 -1.007 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 47 5.344 1.537 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.944 0.278 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.446 -1.119 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.197 -0.199 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.673 1.297 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.584 0.066 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.291 -0.124 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.325 -2.358 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.042 -2.166 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.420 -3.436 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.414 -2.104 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.592 -2.012 -10.742 1.00 0.00 H new ATOM 704 N LEU A 48 2.976 2.236 -5.440 1.00 0.00 N ATOM 705 CA LEU A 48 1.823 2.786 -4.737 1.00 0.00 C ATOM 706 C LEU A 48 0.551 2.615 -5.562 1.00 0.00 C ATOM 707 O LEU A 48 0.565 2.771 -6.783 1.00 0.00 O ATOM 708 CB LEU A 48 2.049 4.267 -4.426 1.00 0.00 C ATOM 709 CG LEU A 48 2.646 4.555 -3.046 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.698 5.649 -3.134 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.552 4.945 -2.063 1.00 0.00 C ATOM 0 H LEU A 48 3.277 2.782 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 48 1.703 2.240 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.710 4.685 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.096 4.790 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 48 3.127 3.646 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.110 5.838 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.497 5.332 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.243 6.562 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.994 5.146 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.042 5.839 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.834 4.129 -1.975 1.00 0.00 H new ATOM 723 N GLN A 49 -0.548 2.294 -4.887 1.00 0.00 N ATOM 724 CA GLN A 49 -1.829 2.103 -5.558 1.00 0.00 C ATOM 725 C GLN A 49 -2.976 2.621 -4.697 1.00 0.00 C ATOM 726 O GLN A 49 -2.949 2.500 -3.472 1.00 0.00 O ATOM 727 CB GLN A 49 -2.044 0.623 -5.879 1.00 0.00 C ATOM 728 CG GLN A 49 -2.770 0.385 -7.193 1.00 0.00 C ATOM 729 CD GLN A 49 -2.349 -0.907 -7.865 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.056 -1.039 -8.136 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 -3.177 -1.777 -8.137 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.577 2.161 -3.876 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.812 2.670 -6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.076 0.123 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.613 0.163 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.845 0.363 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.578 1.220 -7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.161 -1.633 -7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.879 -2.641 -8.589 1.00 0.00 H new ATOM 740 N ALA A 50 -3.982 3.198 -5.345 1.00 0.00 N ATOM 741 CA ALA A 50 -5.139 3.734 -4.637 1.00 0.00 C ATOM 742 C ALA A 50 -6.387 3.689 -5.511 1.00 0.00 C ATOM 743 O ALA A 50 -6.299 3.554 -6.731 1.00 0.00 O ATOM 744 CB ALA A 50 -4.863 5.159 -4.182 1.00 0.00 C ATOM 0 H ALA A 50 -4.020 3.307 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.319 3.111 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.734 5.548 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.001 5.167 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.655 5.784 -5.050 1.00 0.00 H new ATOM 750 N THR A 51 -7.550 3.802 -4.877 1.00 0.00 N ATOM 751 CA THR A 51 -8.818 3.774 -5.596 1.00 0.00 C ATOM 752 C THR A 51 -8.991 5.031 -6.445 1.00 0.00 C ATOM 753 O THR A 51 -8.423 6.080 -6.139 1.00 0.00 O ATOM 754 CB THR A 51 -9.983 3.646 -4.613 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.220 4.876 -3.952 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.757 2.591 -3.551 1.00 0.00 C ATOM 0 H THR A 51 -7.640 3.914 -3.867 1.00 0.00 H new ATOM 0 HA THR A 51 -8.812 2.908 -6.258 1.00 0.00 H new ATOM 0 HB THR A 51 -10.840 3.352 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.172 5.100 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.621 2.552 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.621 1.620 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.867 2.841 -2.974 1.00 0.00 H new ATOM 764 N PRO A 52 -9.781 4.942 -7.529 1.00 0.00 N ATOM 765 CA PRO A 52 -10.026 6.078 -8.423 1.00 0.00 C ATOM 766 C PRO A 52 -10.878 7.158 -7.766 1.00 0.00 C ATOM 767 O PRO A 52 -11.552 6.908 -6.766 1.00 0.00 O ATOM 768 CB PRO A 52 -10.773 5.450 -9.601 1.00 0.00 C ATOM 769 CG PRO A 52 -11.426 4.238 -9.033 1.00 0.00 C ATOM 770 CD PRO A 52 -10.496 3.729 -7.967 1.00 0.00 C ATOM 0 HA PRO A 52 -9.101 6.579 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.509 6.139 -10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.090 5.189 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.403 4.480 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.587 3.484 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.042 3.266 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.810 2.977 -8.358 1.00 0.00 H new ATOM 778 N ALA A 53 -10.843 8.359 -8.333 1.00 0.00 N ATOM 779 CA ALA A 53 -11.613 9.478 -7.801 1.00 0.00 C ATOM 780 C ALA A 53 -13.110 9.240 -7.963 1.00 0.00 C ATOM 781 O ALA A 53 -13.913 9.703 -7.153 1.00 0.00 O ATOM 782 CB ALA A 53 -11.205 10.772 -8.489 1.00 0.00 C ATOM 0 H ALA A 53 -10.290 8.583 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.398 9.562 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.787 11.599 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.144 10.956 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.391 10.689 -9.560 1.00 0.00 H new ATOM 788 N SER A 54 -13.480 8.515 -9.013 1.00 0.00 N ATOM 789 CA SER A 54 -14.882 8.215 -9.280 1.00 0.00 C ATOM 790 C SER A 54 -15.461 7.310 -8.198 1.00 0.00 C ATOM 791 O SER A 54 -16.645 7.392 -7.873 1.00 0.00 O ATOM 792 CB SER A 54 -15.032 7.551 -10.650 1.00 0.00 C ATOM 793 OG SER A 54 -15.194 8.520 -11.672 1.00 0.00 O ATOM 0 H SER A 54 -12.828 8.124 -9.693 1.00 0.00 H new ATOM 0 HA SER A 54 -15.435 9.154 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.154 6.940 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.892 6.881 -10.641 1.00 0.00 H new ATOM 0 HG SER A 54 -15.286 8.070 -12.538 1.00 0.00 H new ATOM 799 N SER A 55 -14.617 6.446 -7.643 1.00 0.00 N ATOM 800 CA SER A 55 -15.044 5.525 -6.596 1.00 0.00 C ATOM 801 C SER A 55 -15.503 6.285 -5.356 1.00 0.00 C ATOM 802 O SER A 55 -14.752 7.080 -4.791 1.00 0.00 O ATOM 803 CB SER A 55 -13.906 4.570 -6.231 1.00 0.00 C ATOM 804 OG SER A 55 -13.970 3.382 -7.001 1.00 0.00 O ATOM 0 H SER A 55 -13.634 6.365 -7.901 1.00 0.00 H new ATOM 0 HA SER A 55 -15.885 4.947 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.947 5.062 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.960 4.323 -5.171 1.00 0.00 H new ATOM 0 HG SER A 55 -13.231 2.789 -6.750 1.00 0.00 H new ATOM 810 N GLU A 56 -16.740 6.036 -4.939 1.00 0.00 N ATOM 811 CA GLU A 56 -17.298 6.697 -3.765 1.00 0.00 C ATOM 812 C GLU A 56 -16.472 6.388 -2.521 1.00 0.00 C ATOM 813 O GLU A 56 -16.360 7.215 -1.616 1.00 0.00 O ATOM 814 CB GLU A 56 -18.748 6.261 -3.550 1.00 0.00 C ATOM 815 CG GLU A 56 -19.730 6.916 -4.507 1.00 0.00 C ATOM 816 CD GLU A 56 -21.026 7.315 -3.831 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.965 7.962 -2.764 1.00 0.00 O ATOM 818 OE2 GLU A 56 -22.103 6.981 -4.368 1.00 0.00 O ATOM 0 H GLU A 56 -17.375 5.382 -5.396 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.271 7.773 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.813 5.179 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.041 6.495 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.268 7.799 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.948 6.229 -5.325 1.00 0.00 H new ATOM 825 N LYS A 57 -15.894 5.192 -2.484 1.00 0.00 N ATOM 826 CA LYS A 57 -15.077 4.773 -1.351 1.00 0.00 C ATOM 827 C LYS A 57 -13.598 5.028 -1.624 1.00 0.00 C ATOM 828 O LYS A 57 -12.987 4.364 -2.461 1.00 0.00 O ATOM 829 CB LYS A 57 -15.304 3.290 -1.052 1.00 0.00 C ATOM 830 CG LYS A 57 -15.057 2.383 -2.247 1.00 0.00 C ATOM 831 CD LYS A 57 -16.313 1.623 -2.644 1.00 0.00 C ATOM 832 CE LYS A 57 -16.314 0.212 -2.078 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.276 -0.672 -2.791 1.00 0.00 N ATOM 0 H LYS A 57 -15.976 4.496 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.375 5.361 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.648 2.988 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.328 3.150 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.710 2.979 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.263 1.675 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.192 2.160 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.385 1.580 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.311 -0.209 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.569 0.246 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.246 -1.625 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.237 -0.284 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.018 -0.725 -3.797 1.00 0.00 H new ATOM 847 N MET A 58 -13.028 5.994 -0.911 1.00 0.00 N ATOM 848 CA MET A 58 -11.620 6.337 -1.076 1.00 0.00 C ATOM 849 C MET A 58 -10.738 5.456 -0.196 1.00 0.00 C ATOM 850 O MET A 58 -10.852 5.475 1.030 1.00 0.00 O ATOM 851 CB MET A 58 -11.389 7.810 -0.736 1.00 0.00 C ATOM 852 CG MET A 58 -12.366 8.753 -1.421 1.00 0.00 C ATOM 853 SD MET A 58 -12.843 10.140 -0.373 1.00 0.00 S ATOM 854 CE MET A 58 -13.485 9.278 1.059 1.00 0.00 C ATOM 0 H MET A 58 -13.519 6.553 -0.214 1.00 0.00 H new ATOM 0 HA MET A 58 -11.350 6.165 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.466 7.942 0.343 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.373 8.085 -1.019 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.916 9.133 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.258 8.198 -1.711 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.996 9.986 1.711 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.187 8.509 0.736 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.663 8.813 1.603 1.00 0.00 H new ATOM 864 N MET A 59 -9.860 4.686 -0.829 1.00 0.00 N ATOM 865 CA MET A 59 -8.958 3.798 -0.103 1.00 0.00 C ATOM 866 C MET A 59 -7.581 3.767 -0.757 1.00 0.00 C ATOM 867 O MET A 59 -7.421 4.163 -1.912 1.00 0.00 O ATOM 868 CB MET A 59 -9.540 2.385 -0.044 1.00 0.00 C ATOM 869 CG MET A 59 -10.988 2.341 0.417 1.00 0.00 C ATOM 870 SD MET A 59 -11.323 0.960 1.527 1.00 0.00 S ATOM 871 CE MET A 59 -11.436 -0.393 0.360 1.00 0.00 C ATOM 0 H MET A 59 -9.753 4.658 -1.843 1.00 0.00 H new ATOM 0 HA MET A 59 -8.849 4.182 0.911 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.468 1.930 -1.032 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.934 1.780 0.630 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.233 3.275 0.922 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.640 2.269 -0.453 1.00 0.00 H new ATOM 0 HE1 MET A 59 -11.112 -1.316 0.841 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.468 -0.501 0.026 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.797 -0.187 -0.499 1.00 0.00 H new ATOM 881 N LEU A 60 -6.588 3.293 -0.011 1.00 0.00 N ATOM 882 CA LEU A 60 -5.223 3.209 -0.517 1.00 0.00 C ATOM 883 C LEU A 60 -4.642 1.817 -0.287 1.00 0.00 C ATOM 884 O LEU A 60 -4.967 1.154 0.697 1.00 0.00 O ATOM 885 CB LEU A 60 -4.340 4.261 0.159 1.00 0.00 C ATOM 886 CG LEU A 60 -2.893 4.304 -0.333 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.795 5.086 -1.634 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.989 4.915 0.727 1.00 0.00 C ATOM 0 H LEU A 60 -6.704 2.961 0.947 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.248 3.400 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.789 5.242 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.337 4.075 1.233 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.562 3.283 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.758 5.106 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.413 4.607 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.144 6.106 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.963 4.938 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.319 5.931 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.036 4.315 1.636 1.00 0.00 H new ATOM 900 N ARG A 61 -3.783 1.380 -1.202 1.00 0.00 N ATOM 901 CA ARG A 61 -3.159 0.066 -1.098 1.00 0.00 C ATOM 902 C ARG A 61 -1.737 0.093 -1.649 1.00 0.00 C ATOM 903 O ARG A 61 -1.489 0.624 -2.731 1.00 0.00 O ATOM 904 CB ARG A 61 -3.990 -0.975 -1.850 1.00 0.00 C ATOM 905 CG ARG A 61 -3.420 -2.382 -1.770 1.00 0.00 C ATOM 906 CD ARG A 61 -3.985 -3.274 -2.864 1.00 0.00 C ATOM 907 NE ARG A 61 -3.933 -4.688 -2.499 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.570 -5.649 -3.164 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.307 -5.354 -4.227 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.469 -6.910 -2.765 1.00 0.00 N ATOM 0 H ARG A 61 -3.503 1.916 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.115 -0.206 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.003 -0.979 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.064 -0.681 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.334 -2.341 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.646 -2.813 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.018 -2.990 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.425 -3.117 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.376 -4.954 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.388 -4.386 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.793 -6.095 -4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.903 -7.143 -1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.957 -7.647 -3.274 1.00 0.00 H new ATOM 924 N LEU A 62 -0.805 -0.484 -0.896 1.00 0.00 N ATOM 925 CA LEU A 62 0.593 -0.527 -1.309 1.00 0.00 C ATOM 926 C LEU A 62 0.968 -1.917 -1.813 1.00 0.00 C ATOM 927 O LEU A 62 0.512 -2.926 -1.276 1.00 0.00 O ATOM 928 CB LEU A 62 1.504 -0.133 -0.144 1.00 0.00 C ATOM 929 CG LEU A 62 1.253 1.261 0.435 1.00 0.00 C ATOM 930 CD1 LEU A 62 1.254 2.308 -0.668 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.061 1.290 1.201 1.00 0.00 C ATOM 0 H LEU A 62 -0.993 -0.928 0.003 1.00 0.00 H new ATOM 0 HA LEU A 62 0.727 0.185 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.386 -0.867 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.540 -0.189 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 62 2.061 1.496 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.074 3.292 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.220 2.304 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.468 2.079 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.224 2.289 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.880 1.033 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.022 0.569 2.018 1.00 0.00 H new ATOM 943 N ILE A 63 1.801 -1.962 -2.847 1.00 0.00 N ATOM 944 CA ILE A 63 2.237 -3.229 -3.422 1.00 0.00 C ATOM 945 C ILE A 63 3.691 -3.521 -3.069 1.00 0.00 C ATOM 946 O ILE A 63 4.610 -2.987 -3.691 1.00 0.00 O ATOM 947 CB ILE A 63 2.081 -3.237 -4.955 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.700 -2.712 -5.353 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.299 -4.640 -5.501 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.441 -3.542 -4.808 1.00 0.00 C ATOM 0 H ILE A 63 2.188 -1.136 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 63 1.599 -4.004 -2.997 1.00 0.00 H new ATOM 0 HB ILE A 63 2.835 -2.579 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.594 -1.686 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.631 -2.683 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.186 -4.630 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.303 -4.978 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.565 -5.318 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.390 -3.112 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.360 -4.562 -5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.397 -3.551 -3.719 1.00 0.00 H new ATOM 962 N GLY A 64 3.893 -4.370 -2.067 1.00 0.00 N ATOM 963 CA GLY A 64 5.238 -4.718 -1.649 1.00 0.00 C ATOM 964 C GLY A 64 6.035 -5.382 -2.753 1.00 0.00 C ATOM 965 O GLY A 64 5.497 -5.695 -3.815 1.00 0.00 O ATOM 0 H GLY A 64 3.149 -4.823 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.758 -3.818 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.186 -5.387 -0.790 1.00 0.00 H new ATOM 969 N LYS A 65 7.323 -5.598 -2.503 1.00 0.00 N ATOM 970 CA LYS A 65 8.197 -6.230 -3.485 1.00 0.00 C ATOM 971 C LYS A 65 7.696 -7.627 -3.839 1.00 0.00 C ATOM 972 O LYS A 65 6.659 -8.069 -3.345 1.00 0.00 O ATOM 973 CB LYS A 65 9.628 -6.308 -2.949 1.00 0.00 C ATOM 974 CG LYS A 65 10.486 -5.113 -3.331 1.00 0.00 C ATOM 975 CD LYS A 65 10.342 -3.980 -2.328 1.00 0.00 C ATOM 976 CE LYS A 65 11.308 -2.845 -2.626 1.00 0.00 C ATOM 977 NZ LYS A 65 12.681 -3.345 -2.912 1.00 0.00 N ATOM 0 H LYS A 65 7.784 -5.345 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 65 8.188 -5.621 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.596 -6.390 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.098 -7.217 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.531 -5.418 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.201 -4.761 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.319 -3.603 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.523 -4.358 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.944 -2.274 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.340 -2.163 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.358 -2.559 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.933 -4.081 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.712 -3.745 -3.872 1.00 0.00 H new ATOM 1294 N GLN A 85 3.604 -8.819 -2.752 1.00 0.00 N ATOM 1295 CA GLN A 85 2.686 -8.568 -1.647 1.00 0.00 C ATOM 1296 C GLN A 85 1.883 -7.294 -1.887 1.00 0.00 C ATOM 1297 O GLN A 85 2.325 -6.396 -2.603 1.00 0.00 O ATOM 1298 CB GLN A 85 3.457 -8.459 -0.331 1.00 0.00 C ATOM 1299 CG GLN A 85 4.026 -9.783 0.153 1.00 0.00 C ATOM 1300 CD GLN A 85 4.603 -9.694 1.552 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.445 -8.842 1.835 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.151 -10.576 2.436 1.00 0.00 N ATOM 0 HA GLN A 85 1.993 -9.407 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.272 -7.747 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.795 -8.056 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.241 -10.539 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.803 -10.114 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.452 -11.265 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.502 -10.564 3.393 1.00 0.00 H new ATOM 1311 N ARG A 86 0.700 -7.223 -1.285 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.164 -6.059 -1.435 1.00 0.00 C ATOM 1313 C ARG A 86 -0.913 -5.765 -0.139 1.00 0.00 C ATOM 1314 O ARG A 86 -1.624 -6.622 0.387 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.160 -6.281 -2.574 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.509 -6.736 -3.870 1.00 0.00 C ATOM 1317 CD ARG A 86 -1.548 -7.076 -4.926 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.953 -7.728 -6.090 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.649 -8.420 -6.989 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -2.964 -8.551 -6.863 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -1.029 -8.981 -8.018 1.00 0.00 N ATOM 0 H ARG A 86 0.319 -7.958 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 86 0.464 -5.200 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.893 -7.026 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.704 -5.354 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.148 -5.950 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.115 -7.609 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.305 -7.729 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.056 -6.165 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 86 0.055 -7.648 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.446 -8.120 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.492 -9.082 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.019 -8.882 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.562 -9.511 -8.707 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.750 -4.548 0.371 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.412 -4.141 1.606 1.00 0.00 C ATOM 1337 C HIS A 87 -2.416 -3.024 1.341 1.00 0.00 C ATOM 1338 O HIS A 87 -2.046 -1.932 0.911 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.378 -3.679 2.634 1.00 0.00 C ATOM 1340 CG HIS A 87 0.394 -4.803 3.253 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.204 -5.842 3.935 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.726 -5.049 3.290 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.725 -6.677 4.365 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.904 -6.219 3.986 1.00 0.00 N ATOM 0 H HIS A 87 -0.165 -3.827 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.949 -5.002 2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.319 -2.992 2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.885 -3.120 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.503 -4.439 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.550 -7.580 4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.802 -6.663 4.179 1.00 0.00 H new ATOM 1353 N MET A 88 -3.689 -3.305 1.602 1.00 0.00 N ATOM 1354 CA MET A 88 -4.747 -2.323 1.392 1.00 0.00 C ATOM 1355 C MET A 88 -5.169 -1.685 2.711 1.00 0.00 C ATOM 1356 O MET A 88 -5.104 -2.316 3.766 1.00 0.00 O ATOM 1357 CB MET A 88 -5.954 -2.979 0.718 1.00 0.00 C ATOM 1358 CG MET A 88 -6.618 -4.051 1.567 1.00 0.00 C ATOM 1359 SD MET A 88 -7.857 -3.380 2.692 1.00 0.00 S ATOM 1360 CE MET A 88 -9.022 -2.674 1.530 1.00 0.00 C ATOM 0 H MET A 88 -4.013 -4.204 1.959 1.00 0.00 H new ATOM 0 HA MET A 88 -4.357 -1.540 0.741 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.689 -2.210 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.636 -3.421 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.087 -4.787 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.856 -4.576 2.143 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.022 -2.690 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.738 -1.645 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.015 -3.257 0.609 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.603 -0.431 2.643 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.038 0.294 3.832 1.00 0.00 C ATOM 1372 C PHE A 89 -7.383 0.971 3.593 1.00 0.00 C ATOM 1373 O PHE A 89 -7.738 1.284 2.457 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.992 1.337 4.230 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.745 0.742 4.820 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.763 0.209 4.002 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.556 0.716 6.192 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.614 -0.339 4.541 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.410 0.170 6.738 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.438 -0.359 5.911 1.00 0.00 C ATOM 0 H PHE A 89 -5.663 0.105 1.777 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.152 -0.424 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.724 1.924 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.433 2.025 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.896 0.222 2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.313 1.127 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.855 -0.751 3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.274 0.157 7.809 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.542 -0.788 6.335 1.00 0.00 H new ATOM 1390 N SER A 90 -8.128 1.193 4.671 1.00 0.00 N ATOM 1391 CA SER A 90 -9.435 1.833 4.577 1.00 0.00 C ATOM 1392 C SER A 90 -9.356 3.299 4.991 1.00 0.00 C ATOM 1393 O SER A 90 -8.831 3.627 6.055 1.00 0.00 O ATOM 1394 CB SER A 90 -10.450 1.097 5.454 1.00 0.00 C ATOM 1395 OG SER A 90 -11.205 0.170 4.692 1.00 0.00 O ATOM 0 H SER A 90 -7.849 0.939 5.619 1.00 0.00 H new ATOM 0 HA SER A 90 -9.760 1.786 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.930 0.575 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.120 1.817 5.924 1.00 0.00 H new ATOM 0 HG SER A 90 -11.267 0.482 3.765 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.880 4.177 4.142 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.870 5.609 4.419 1.00 0.00 C ATOM 1403 C PHE A 91 -11.272 6.196 4.295 1.00 0.00 C ATOM 1404 O PHE A 91 -12.197 5.529 3.831 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.917 6.328 3.462 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.470 6.187 3.837 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.861 4.943 3.849 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.718 7.300 4.179 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.529 4.810 4.194 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.386 7.174 4.525 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.791 5.928 4.533 1.00 0.00 C ATOM 0 H PHE A 91 -10.317 3.922 3.256 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.524 5.754 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.063 5.937 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.175 7.387 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.434 4.066 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.178 8.277 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.066 3.834 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.811 8.049 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.750 5.827 4.804 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.423 7.449 4.713 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.714 8.125 4.649 1.00 0.00 C ATOM 1423 C ASN A 92 -12.544 9.589 4.254 1.00 0.00 C ATOM 1424 O ASN A 92 -13.321 10.448 4.669 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.431 8.029 5.996 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.672 6.594 6.422 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.032 5.744 5.606 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -13.474 6.316 7.705 1.00 0.00 N ATOM 0 H ASN A 92 -10.668 8.016 5.099 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.317 7.630 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.838 8.536 6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.385 8.552 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.620 5.367 8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.176 7.051 8.346 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.522 9.864 3.450 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.250 11.224 2.998 1.00 0.00 C ATOM 1437 C ASN A 93 -10.190 11.231 1.902 1.00 0.00 C ATOM 1438 O ASN A 93 -9.084 10.725 2.091 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.793 12.092 4.172 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.946 12.817 4.839 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.396 12.432 5.918 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.430 13.874 4.198 1.00 0.00 N ATOM 0 H ASN A 93 -10.869 9.164 3.098 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.172 11.636 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.287 11.466 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.064 12.822 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.205 14.402 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.026 14.158 3.305 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.536 11.807 0.755 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.613 11.879 -0.372 1.00 0.00 C ATOM 1451 C ARG A 94 -8.409 12.752 -0.034 1.00 0.00 C ATOM 1452 O ARG A 94 -7.284 12.458 -0.437 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.327 12.430 -1.608 1.00 0.00 C ATOM 1454 CG ARG A 94 -9.862 11.799 -2.910 1.00 0.00 C ATOM 1455 CD ARG A 94 -9.874 12.804 -4.051 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.752 12.607 -4.966 1.00 0.00 N ATOM 1457 CZ ARG A 94 -8.336 13.524 -5.836 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.945 14.700 -5.914 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -7.307 13.264 -6.632 1.00 0.00 N ATOM 0 H ARG A 94 -11.448 12.230 0.582 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.259 10.870 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.400 12.270 -1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.169 13.507 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.855 11.402 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.508 10.957 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.811 12.716 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.837 13.815 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.259 11.715 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.737 14.906 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.621 15.399 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.835 12.361 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.988 13.967 -7.299 1.00 0.00 H new ATOM 1473 N THR A 95 -8.654 13.827 0.708 1.00 0.00 N ATOM 1474 CA THR A 95 -7.589 14.743 1.101 1.00 0.00 C ATOM 1475 C THR A 95 -6.543 14.030 1.951 1.00 0.00 C ATOM 1476 O THR A 95 -5.356 14.351 1.892 1.00 0.00 O ATOM 1477 CB THR A 95 -8.168 15.930 1.873 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.289 16.470 1.196 1.00 0.00 O ATOM 1479 CG2 THR A 95 -7.173 17.051 2.081 1.00 0.00 C ATOM 0 H THR A 95 -9.580 14.085 1.049 1.00 0.00 H new ATOM 0 HA THR A 95 -7.106 15.108 0.195 1.00 0.00 H new ATOM 0 HB THR A 95 -8.450 15.531 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.646 17.227 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.648 17.861 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.318 16.678 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.836 17.422 1.113 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.992 13.059 2.741 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.095 12.299 3.603 1.00 0.00 C ATOM 1489 C VAL A 96 -5.260 11.314 2.792 1.00 0.00 C ATOM 1490 O VAL A 96 -4.036 11.274 2.917 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.875 11.526 4.684 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.919 10.875 5.671 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.848 12.449 5.402 1.00 0.00 C ATOM 0 H VAL A 96 -7.971 12.781 2.801 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.435 13.019 4.088 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.449 10.737 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.489 10.334 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.267 10.180 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.315 11.644 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.390 11.886 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.297 13.261 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.555 12.862 4.683 1.00 0.00 H new ATOM 1503 N MET A 97 -5.929 10.522 1.961 1.00 0.00 N ATOM 1504 CA MET A 97 -5.247 9.537 1.129 1.00 0.00 C ATOM 1505 C MET A 97 -4.254 10.213 0.189 1.00 0.00 C ATOM 1506 O MET A 97 -3.210 9.649 -0.137 1.00 0.00 O ATOM 1507 CB MET A 97 -6.264 8.729 0.320 1.00 0.00 C ATOM 1508 CG MET A 97 -5.637 7.625 -0.515 1.00 0.00 C ATOM 1509 SD MET A 97 -5.398 8.106 -2.236 1.00 0.00 S ATOM 1510 CE MET A 97 -6.995 7.684 -2.930 1.00 0.00 C ATOM 0 H MET A 97 -6.942 10.543 1.846 1.00 0.00 H new ATOM 0 HA MET A 97 -4.697 8.862 1.785 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.991 8.289 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.812 9.404 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.675 7.349 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.271 6.739 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.910 7.599 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.332 6.733 -2.517 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.716 8.463 -2.683 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.587 11.426 -0.242 1.00 0.00 N ATOM 1521 CA ASP A 98 -3.724 12.179 -1.144 1.00 0.00 C ATOM 1522 C ASP A 98 -2.388 12.496 -0.480 1.00 0.00 C ATOM 1523 O ASP A 98 -1.342 12.482 -1.129 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.411 13.476 -1.576 1.00 0.00 C ATOM 1525 CG ASP A 98 -3.626 14.220 -2.638 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.004 13.554 -3.492 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -3.633 15.469 -2.616 1.00 0.00 O ATOM 0 H ASP A 98 -5.448 11.907 0.019 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.536 11.564 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.406 13.247 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.543 14.121 -0.707 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.431 12.779 0.818 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.223 13.099 1.570 1.00 0.00 C ATOM 1534 C ASN A 99 -0.375 11.851 1.793 1.00 0.00 C ATOM 1535 O ASN A 99 0.852 11.899 1.708 1.00 0.00 O ATOM 1536 CB ASN A 99 -1.587 13.729 2.916 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.888 15.210 2.797 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.982 16.044 2.824 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -3.166 15.546 2.665 1.00 0.00 N ATOM 0 H ASN A 99 -3.288 12.793 1.370 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.641 13.813 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.455 13.217 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.765 13.583 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.429 16.528 2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.884 14.822 2.647 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.037 10.734 2.077 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.344 9.473 2.310 1.00 0.00 C ATOM 1548 C ILE A 100 0.271 8.939 1.021 1.00 0.00 C ATOM 1549 O ILE A 100 1.471 8.668 0.959 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.294 8.408 2.893 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.033 8.964 4.112 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.521 7.151 3.262 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.122 9.283 5.277 1.00 0.00 C ATOM 0 H ILE A 100 -2.053 10.677 2.151 1.00 0.00 H new ATOM 0 HA ILE A 100 0.448 9.675 3.031 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.031 8.146 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.568 9.868 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.782 8.240 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.207 6.409 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.038 6.746 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.237 7.395 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.714 9.673 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.606 8.377 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.389 10.030 4.972 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.558 8.790 -0.008 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.096 8.289 -1.297 1.00 0.00 C ATOM 1567 C LYS A 101 1.015 9.170 -1.860 1.00 0.00 C ATOM 1568 O LYS A 101 2.061 8.676 -2.280 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.259 8.220 -2.288 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.867 7.669 -3.649 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.645 8.342 -4.768 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.878 7.539 -5.150 1.00 0.00 C ATOM 1573 NZ LYS A 101 -3.461 7.997 -6.441 1.00 0.00 N ATOM 0 H LYS A 101 -1.554 9.009 0.026 1.00 0.00 H new ATOM 0 HA LYS A 101 0.303 7.286 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.048 7.597 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.676 9.219 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.201 7.816 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.048 6.594 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.944 9.342 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.002 8.460 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.615 6.484 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.626 7.626 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.300 7.424 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.735 8.997 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.756 7.890 -7.198 1.00 0.00 H new ATOM 1587 N MET A 102 0.780 10.479 -1.865 1.00 0.00 N ATOM 1588 CA MET A 102 1.761 11.429 -2.375 1.00 0.00 C ATOM 1589 C MET A 102 3.068 11.333 -1.596 1.00 0.00 C ATOM 1590 O MET A 102 4.144 11.207 -2.182 1.00 0.00 O ATOM 1591 CB MET A 102 1.210 12.854 -2.297 1.00 0.00 C ATOM 1592 CG MET A 102 2.154 13.903 -2.862 1.00 0.00 C ATOM 1593 SD MET A 102 1.282 15.247 -3.690 1.00 0.00 S ATOM 1594 CE MET A 102 0.144 15.756 -2.404 1.00 0.00 C ATOM 0 H MET A 102 -0.081 10.905 -1.522 1.00 0.00 H new ATOM 0 HA MET A 102 1.962 11.181 -3.417 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.265 12.899 -2.838 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.994 13.095 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.762 14.312 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.837 13.430 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.314 16.706 -2.679 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.632 15.000 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.685 15.872 -1.465 1.00 0.00 H new ATOM 1604 N THR A 103 2.968 11.392 -0.272 1.00 0.00 N ATOM 1605 CA THR A 103 4.142 11.311 0.588 1.00 0.00 C ATOM 1606 C THR A 103 4.841 9.964 0.426 1.00 0.00 C ATOM 1607 O THR A 103 6.069 9.893 0.378 1.00 0.00 O ATOM 1608 CB THR A 103 3.744 11.522 2.050 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.119 12.781 2.222 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.916 11.457 3.007 1.00 0.00 C ATOM 0 H THR A 103 2.085 11.496 0.228 1.00 0.00 H new ATOM 0 HA THR A 103 4.836 12.098 0.292 1.00 0.00 H new ATOM 0 HB THR A 103 3.061 10.705 2.283 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.183 12.723 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.563 11.615 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.391 10.478 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.639 12.231 2.750 1.00 0.00 H new ATOM 1618 N LEU A 104 4.051 8.899 0.343 1.00 0.00 N ATOM 1619 CA LEU A 104 4.593 7.554 0.187 1.00 0.00 C ATOM 1620 C LEU A 104 5.429 7.449 -1.085 1.00 0.00 C ATOM 1621 O LEU A 104 6.486 6.818 -1.095 1.00 0.00 O ATOM 1622 CB LEU A 104 3.459 6.526 0.157 1.00 0.00 C ATOM 1623 CG LEU A 104 3.203 5.808 1.484 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.711 5.604 1.703 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.935 4.474 1.518 1.00 0.00 C ATOM 0 H LEU A 104 3.033 8.941 0.381 1.00 0.00 H new ATOM 0 HA LEU A 104 5.238 7.346 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.542 7.028 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.685 5.780 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 104 3.586 6.432 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.549 5.092 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.211 6.572 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.303 5.002 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.742 3.977 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.582 3.844 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.006 4.644 1.408 1.00 0.00 H new ATOM 1637 N GLN A 105 4.948 8.071 -2.157 1.00 0.00 N ATOM 1638 CA GLN A 105 5.651 8.048 -3.434 1.00 0.00 C ATOM 1639 C GLN A 105 7.030 8.688 -3.309 1.00 0.00 C ATOM 1640 O GLN A 105 7.968 8.306 -4.008 1.00 0.00 O ATOM 1641 CB GLN A 105 4.833 8.775 -4.503 1.00 0.00 C ATOM 1642 CG GLN A 105 3.917 7.858 -5.297 1.00 0.00 C ATOM 1643 CD GLN A 105 3.374 8.519 -6.549 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.197 9.736 -6.596 1.00 0.00 O ATOM 1645 NE2 GLN A 105 3.106 7.716 -7.573 1.00 0.00 N ATOM 0 H GLN A 105 4.074 8.597 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 105 5.780 7.007 -3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.233 9.549 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.514 9.278 -5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.463 6.956 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.085 7.546 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.268 6.712 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.738 8.103 -8.442 1.00 0.00 H new ATOM 1654 N GLN A 106 7.145 9.663 -2.414 1.00 0.00 N ATOM 1655 CA GLN A 106 8.409 10.357 -2.197 1.00 0.00 C ATOM 1656 C GLN A 106 9.406 9.460 -1.470 1.00 0.00 C ATOM 1657 O GLN A 106 10.615 9.569 -1.670 1.00 0.00 O ATOM 1658 CB GLN A 106 8.180 11.640 -1.395 1.00 0.00 C ATOM 1659 CG GLN A 106 7.217 12.609 -2.061 1.00 0.00 C ATOM 1660 CD GLN A 106 7.662 14.053 -1.932 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.442 14.693 -0.904 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.292 14.574 -2.979 1.00 0.00 N ATOM 0 H GLN A 106 6.378 9.991 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 106 8.824 10.615 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.796 11.379 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.137 12.139 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.123 12.354 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.228 12.496 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.453 14.007 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.615 15.541 -2.951 1.00 0.00 H new ATOM 1671 N ILE A 107 8.890 8.575 -0.624 1.00 0.00 N ATOM 1672 CA ILE A 107 9.735 7.660 0.133 1.00 0.00 C ATOM 1673 C ILE A 107 10.284 6.552 -0.759 1.00 0.00 C ATOM 1674 O ILE A 107 11.412 6.095 -0.576 1.00 0.00 O ATOM 1675 CB ILE A 107 8.965 7.024 1.307 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.244 8.103 2.117 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.912 6.231 2.195 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.403 7.550 3.246 1.00 0.00 C ATOM 0 H ILE A 107 7.891 8.472 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 107 10.563 8.249 0.528 1.00 0.00 H new ATOM 0 HB ILE A 107 8.219 6.340 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.982 8.791 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.606 8.682 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.353 5.788 3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.383 5.441 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.680 6.895 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.921 8.371 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.641 6.884 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.039 6.996 3.936 1.00 0.00 H new ATOM 1690 N ILE A 108 9.478 6.123 -1.726 1.00 0.00 N ATOM 1691 CA ILE A 108 9.884 5.068 -2.646 1.00 0.00 C ATOM 1692 C ILE A 108 10.839 5.602 -3.708 1.00 0.00 C ATOM 1693 O ILE A 108 11.819 4.946 -4.061 1.00 0.00 O ATOM 1694 CB ILE A 108 8.666 4.430 -3.342 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.600 4.056 -2.311 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.091 3.207 -4.140 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.246 3.763 -2.920 1.00 0.00 C ATOM 0 H ILE A 108 8.541 6.490 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 108 10.393 4.309 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 108 8.238 5.158 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.936 3.181 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.498 4.871 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.219 2.768 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.818 3.501 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.541 2.474 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.540 3.505 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.888 4.644 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.333 2.928 -3.616 1.00 0.00 H new ATOM 1709 N SER A 109 10.547 6.796 -4.215 1.00 0.00 N ATOM 1710 CA SER A 109 11.381 7.417 -5.237 1.00 0.00 C ATOM 1711 C SER A 109 12.745 7.798 -4.670 1.00 0.00 C ATOM 1712 O SER A 109 13.749 7.786 -5.382 1.00 0.00 O ATOM 1713 CB SER A 109 10.688 8.656 -5.806 1.00 0.00 C ATOM 1714 OG SER A 109 10.078 9.417 -4.778 1.00 0.00 O ATOM 0 H SER A 109 9.739 7.352 -3.935 1.00 0.00 H new ATOM 0 HA SER A 109 11.531 6.693 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.415 9.272 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.935 8.353 -6.534 1.00 0.00 H new ATOM 0 HG SER A 109 9.128 9.183 -4.718 1.00 0.00 H new ATOM 1720 N ARG A 110 12.773 8.136 -3.385 1.00 0.00 N ATOM 1721 CA ARG A 110 14.014 8.521 -2.723 1.00 0.00 C ATOM 1722 C ARG A 110 14.924 7.313 -2.527 1.00 0.00 C ATOM 1723 O ARG A 110 16.148 7.435 -2.555 1.00 0.00 O ATOM 1724 CB ARG A 110 13.714 9.173 -1.372 1.00 0.00 C ATOM 1725 CG ARG A 110 13.501 10.676 -1.456 1.00 0.00 C ATOM 1726 CD ARG A 110 13.952 11.374 -0.183 1.00 0.00 C ATOM 1727 NE ARG A 110 13.087 12.500 0.160 1.00 0.00 N ATOM 1728 CZ ARG A 110 12.999 13.614 -0.563 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.721 13.756 -1.668 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.187 14.590 -0.180 1.00 0.00 N ATOM 0 H ARG A 110 11.951 8.151 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 110 14.528 9.240 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.824 8.712 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 110 14.538 8.969 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 110 14.053 11.076 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.446 10.886 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.959 10.659 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.976 11.728 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 110 12.517 12.428 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.348 13.009 -1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.649 14.612 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.630 14.487 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.119 15.444 -0.734 1.00 0.00 H new ATOM 1744 N TYR A 111 14.317 6.147 -2.328 1.00 0.00 N ATOM 1745 CA TYR A 111 15.073 4.916 -2.126 1.00 0.00 C ATOM 1746 C TYR A 111 15.313 4.188 -3.449 1.00 0.00 C ATOM 1747 O TYR A 111 15.750 3.037 -3.461 1.00 0.00 O ATOM 1748 CB TYR A 111 14.333 3.995 -1.156 1.00 0.00 C ATOM 1749 CG TYR A 111 14.206 4.562 0.240 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.280 5.193 0.854 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.012 4.465 0.944 1.00 0.00 C ATOM 1752 CE1 TYR A 111 15.169 5.712 2.130 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.892 4.982 2.220 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.973 5.604 2.808 1.00 0.00 C ATOM 1755 OH TYR A 111 13.857 6.120 4.079 1.00 0.00 O ATOM 0 H TYR A 111 13.304 6.029 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 111 16.041 5.185 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.337 3.793 -1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.856 3.040 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 111 16.218 5.280 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.164 3.978 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 111 16.014 6.199 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.957 4.899 2.754 1.00 0.00 H new ATOM 0 HH TYR A 111 14.656 5.893 4.599 1.00 0.00 H new ATOM 1765 N LYS A 112 15.027 4.862 -4.559 1.00 0.00 N ATOM 1766 CA LYS A 112 15.215 4.271 -5.880 1.00 0.00 C ATOM 1767 C LYS A 112 16.578 4.643 -6.453 1.00 0.00 C ATOM 1768 O LYS A 112 17.202 3.852 -7.161 1.00 0.00 O ATOM 1769 CB LYS A 112 14.107 4.730 -6.829 1.00 0.00 C ATOM 1770 CG LYS A 112 12.845 3.887 -6.744 1.00 0.00 C ATOM 1771 CD LYS A 112 12.992 2.586 -7.515 1.00 0.00 C ATOM 1772 CE LYS A 112 12.271 1.442 -6.820 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.862 1.141 -5.487 1.00 0.00 N ATOM 0 H LYS A 112 14.665 5.816 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 112 15.169 3.187 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.857 5.767 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.483 4.705 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.621 3.669 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.001 4.452 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.593 2.711 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.049 2.341 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.218 1.696 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.316 0.551 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.722 0.135 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.880 1.354 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.397 1.723 -4.762 1.00 0.00 H new ATOM 1892 N TRP B 458 -12.677 -6.710 -4.421 1.00 0.00 N ATOM 1893 CA TRP B 458 -11.761 -5.788 -3.757 1.00 0.00 C ATOM 1894 C TRP B 458 -10.533 -5.523 -4.624 1.00 0.00 C ATOM 1895 O TRP B 458 -9.948 -4.442 -4.573 1.00 0.00 O ATOM 1896 CB TRP B 458 -11.335 -6.351 -2.399 1.00 0.00 C ATOM 1897 CG TRP B 458 -11.660 -5.444 -1.252 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -10.880 -5.191 -0.160 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -12.854 -4.671 -1.081 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -11.515 -4.307 0.678 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -12.728 -3.973 0.135 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -14.016 -4.500 -1.839 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -13.721 -3.118 0.609 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -15.000 -3.651 -1.367 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -14.847 -2.970 -0.153 1.00 0.00 C ATOM 0 HA TRP B 458 -12.282 -4.843 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -11.824 -7.312 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -10.261 -6.538 -2.412 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -9.906 -5.623 0.019 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -11.144 -3.956 1.561 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -14.143 -5.022 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -13.606 -2.591 1.545 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -15.902 -3.511 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -15.634 -2.314 0.189 1.00 0.00 H new ATOM 1916 N ASP B 459 -10.148 -6.517 -5.417 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.990 -6.390 -6.294 1.00 0.00 C ATOM 1918 C ASP B 459 -9.251 -5.366 -7.394 1.00 0.00 C ATOM 1919 O ASP B 459 -8.363 -4.597 -7.763 1.00 0.00 O ATOM 1920 CB ASP B 459 -8.641 -7.744 -6.914 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.189 -7.827 -7.343 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -6.323 -8.037 -6.468 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -6.919 -7.682 -8.553 1.00 0.00 O ATOM 0 H ASP B 459 -10.621 -7.419 -5.470 1.00 0.00 H new ATOM 0 HA ASP B 459 -8.148 -6.046 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -8.850 -8.535 -6.194 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -9.283 -7.921 -7.777 1.00 0.00 H new ATOM 1928 N TYR B 460 -10.474 -5.361 -7.913 1.00 0.00 N ATOM 1929 CA TYR B 460 -10.852 -4.431 -8.972 1.00 0.00 C ATOM 1930 C TYR B 460 -10.693 -2.986 -8.510 1.00 0.00 C ATOM 1931 O TYR B 460 -10.058 -2.175 -9.184 1.00 0.00 O ATOM 1932 CB TYR B 460 -12.296 -4.684 -9.408 1.00 0.00 C ATOM 1933 CG TYR B 460 -12.429 -5.727 -10.494 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -12.492 -7.079 -10.181 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -12.490 -5.361 -11.833 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -12.613 -8.036 -11.170 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -12.611 -6.312 -12.828 1.00 0.00 C ATOM 1938 CZ TYR B 460 -12.672 -7.647 -12.492 1.00 0.00 C ATOM 1939 OH TYR B 460 -12.792 -8.597 -13.480 1.00 0.00 O ATOM 0 H TYR B 460 -11.221 -5.990 -7.618 1.00 0.00 H new ATOM 0 HA TYR B 460 -10.189 -4.596 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -12.878 -4.998 -8.542 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.729 -3.748 -9.761 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -12.446 -7.387 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -12.442 -4.316 -12.100 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -12.661 -9.083 -10.909 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -12.658 -6.011 -13.864 1.00 0.00 H new ATOM 0 HH TYR B 460 -12.821 -8.157 -14.355 1.00 0.00 H new ATOM 1949 N ILE B 461 -11.273 -2.672 -7.357 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.196 -1.324 -6.805 1.00 0.00 C ATOM 1951 C ILE B 461 -9.748 -0.922 -6.534 1.00 0.00 C ATOM 1952 O ILE B 461 -9.401 0.257 -6.592 1.00 0.00 O ATOM 1953 CB ILE B 461 -12.009 -1.205 -5.499 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.981 0.235 -4.980 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -11.471 -2.165 -4.447 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.766 0.431 -3.701 1.00 0.00 C ATOM 0 H ILE B 461 -11.801 -3.332 -6.786 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.621 -0.651 -7.549 1.00 0.00 H new ATOM 0 HB ILE B 461 -13.044 -1.473 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -10.946 0.532 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.381 0.897 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -12.056 -2.068 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -11.543 -3.188 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -10.428 -1.928 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.702 1.474 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.810 0.166 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.352 -0.206 -2.919 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.908 -1.910 -6.240 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.499 -1.656 -5.961 1.00 0.00 C ATOM 1970 C PHE B 462 -6.618 -2.044 -7.148 1.00 0.00 C ATOM 1971 O PHE B 462 -5.395 -2.112 -7.025 1.00 0.00 O ATOM 1972 CB PHE B 462 -7.060 -2.425 -4.714 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.489 -1.776 -3.429 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -6.915 -0.586 -3.012 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -8.467 -2.357 -2.638 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.309 0.013 -1.831 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.865 -1.763 -1.456 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.285 -0.577 -1.051 1.00 0.00 C ATOM 0 H PHE B 462 -9.178 -2.892 -6.189 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.381 -0.587 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -7.469 -3.434 -4.756 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.974 -2.521 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -6.151 -0.121 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -8.923 -3.285 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -6.855 0.941 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -9.629 -2.226 -0.849 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.594 -0.112 -0.127 1.00 0.00 H new ATOM 1988 N GLU B 463 -7.242 -2.298 -8.296 1.00 0.00 N ATOM 1989 CA GLU B 463 -6.505 -2.677 -9.497 1.00 0.00 C ATOM 1990 C GLU B 463 -6.326 -1.486 -10.440 1.00 0.00 C ATOM 1991 O GLU B 463 -5.764 -1.627 -11.526 1.00 0.00 O ATOM 1992 CB GLU B 463 -7.229 -3.813 -10.224 1.00 0.00 C ATOM 1993 CG GLU B 463 -6.706 -5.194 -9.865 1.00 0.00 C ATOM 1994 CD GLU B 463 -5.808 -5.775 -10.940 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -4.642 -5.340 -11.038 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -6.272 -6.665 -11.684 1.00 0.00 O ATOM 0 H GLU B 463 -8.253 -2.248 -8.419 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.516 -3.017 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -8.292 -3.764 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -7.132 -3.665 -11.300 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -6.154 -5.137 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -7.548 -5.865 -9.698 1.00 0.00 H new