USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 X(o=0,f=0.48) USER MOD Set 2.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 SER OG : rot 158:sc= 0.222 USER MOD Set 2.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot -121:sc= 0.457 USER MOD Set 3.2: A 93 THR OG1 : rot -150:sc= 0.398 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.00061) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 30 GLN : amide:sc= 0.0478 X(o=0.047,f=-0.038) USER MOD Set 5.2: A 33 LYS NZ :NH3+ 148:sc=-0.00119 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.00736 USER MOD Single : A 4 SER OG : rot 34:sc= 0.126 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0504 K(o=-0.05,f=-0.82) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 MET CE :methyl -147:sc= 0 (180deg=-0.0437) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= 0.0139 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 0.00274 (180deg=-0.0184) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0.055 (180deg=0.0416) USER MOD Single : A 39 SER OG : rot -170:sc= -0.19 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=0.74) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.443) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 61 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.93) USER MOD Single : A 69 CYS SG : rot -140:sc= 0.566 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.113 USER MOD Single : A 75 THR OG1 : rot 105:sc= 0.569 USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= -0.0111 (180deg=-0.743) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ -122:sc= 0.0191 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -150:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.653 -10.202 13.296 1.00 0.00 N ATOM 2 CA SER A 2 9.049 -10.429 14.617 1.00 0.00 C ATOM 3 C SER A 2 8.491 -9.091 15.158 1.00 0.00 C ATOM 4 O SER A 2 9.246 -8.157 15.452 1.00 0.00 O ATOM 5 CB SER A 2 10.058 -11.070 15.594 1.00 0.00 C ATOM 6 OG SER A 2 10.448 -12.367 15.156 1.00 0.00 O ATOM 0 HA SER A 2 8.225 -11.136 14.519 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.938 -10.433 15.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.614 -11.137 16.587 1.00 0.00 H new ATOM 0 HG SER A 2 10.420 -12.404 14.177 1.00 0.00 H new ATOM 12 N PHE A 3 7.157 -9.021 15.297 1.00 0.00 N ATOM 13 CA PHE A 3 6.441 -7.787 15.735 1.00 0.00 C ATOM 14 C PHE A 3 6.550 -7.366 17.236 1.00 0.00 C ATOM 15 O PHE A 3 6.142 -6.242 17.547 1.00 0.00 O ATOM 16 CB PHE A 3 4.946 -7.915 15.325 1.00 0.00 C ATOM 17 CG PHE A 3 4.635 -7.722 13.828 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.630 -6.434 13.283 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.310 -8.810 13.013 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.305 -6.236 11.943 1.00 0.00 C ATOM 21 CE2 PHE A 3 3.986 -8.611 11.675 1.00 0.00 C ATOM 22 CZ PHE A 3 3.988 -7.326 11.139 1.00 0.00 C ATOM 0 H PHE A 3 6.536 -9.809 15.112 1.00 0.00 H new ATOM 0 HA PHE A 3 6.962 -6.977 15.224 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.591 -8.901 15.625 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.371 -7.183 15.892 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.880 -5.587 13.905 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.310 -9.809 13.424 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.299 -5.238 11.529 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.732 -9.455 11.051 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.743 -7.175 10.098 1.00 0.00 H new ATOM 32 N SER A 4 7.105 -8.190 18.153 1.00 0.00 N ATOM 33 CA SER A 4 7.316 -7.812 19.569 1.00 0.00 C ATOM 34 C SER A 4 8.393 -6.697 19.729 1.00 0.00 C ATOM 35 O SER A 4 9.565 -6.882 19.382 1.00 0.00 O ATOM 36 CB SER A 4 7.663 -9.091 20.363 1.00 0.00 C ATOM 37 OG SER A 4 8.869 -9.711 19.921 1.00 0.00 O ATOM 0 H SER A 4 7.419 -9.135 17.933 1.00 0.00 H new ATOM 0 HA SER A 4 6.401 -7.377 19.971 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.755 -8.842 21.420 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.841 -9.802 20.273 1.00 0.00 H new ATOM 0 HG SER A 4 9.504 -9.023 19.631 1.00 0.00 H new ATOM 43 N GLY A 5 7.947 -5.531 20.215 1.00 0.00 N ATOM 44 CA GLY A 5 8.780 -4.316 20.276 1.00 0.00 C ATOM 45 C GLY A 5 7.943 -3.068 20.624 1.00 0.00 C ATOM 46 O GLY A 5 6.777 -2.940 20.234 1.00 0.00 O ATOM 0 H GLY A 5 7.002 -5.400 20.577 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.563 -4.449 21.022 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.276 -4.166 19.317 1.00 0.00 H new ATOM 50 N LYS A 6 8.585 -2.127 21.334 1.00 0.00 N ATOM 51 CA LYS A 6 7.964 -0.835 21.723 1.00 0.00 C ATOM 52 C LYS A 6 8.453 0.253 20.726 1.00 0.00 C ATOM 53 O LYS A 6 9.624 0.647 20.748 1.00 0.00 O ATOM 54 CB LYS A 6 8.324 -0.561 23.207 1.00 0.00 C ATOM 55 CG LYS A 6 7.517 0.577 23.863 1.00 0.00 C ATOM 56 CD LYS A 6 7.846 0.743 25.360 1.00 0.00 C ATOM 57 CE LYS A 6 7.082 1.904 26.020 1.00 0.00 C ATOM 58 NZ LYS A 6 7.355 1.967 27.467 1.00 0.00 N ATOM 0 H LYS A 6 9.547 -2.232 21.657 1.00 0.00 H new ATOM 0 HA LYS A 6 6.876 -0.842 21.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.169 -1.475 23.780 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.385 -0.320 23.271 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.724 1.512 23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.452 0.377 23.748 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.609 -0.184 25.883 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.917 0.909 25.474 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.370 2.845 25.552 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.012 1.780 25.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.827 2.759 27.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.058 1.077 27.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.373 2.110 27.622 1.00 0.00 H new ATOM 72 N TYR A 7 7.553 0.685 19.822 1.00 0.00 N ATOM 73 CA TYR A 7 7.920 1.502 18.633 1.00 0.00 C ATOM 74 C TYR A 7 7.463 2.969 18.852 1.00 0.00 C ATOM 75 O TYR A 7 6.269 3.241 19.011 1.00 0.00 O ATOM 76 CB TYR A 7 7.291 0.934 17.326 1.00 0.00 C ATOM 77 CG TYR A 7 7.691 -0.500 16.920 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.806 -0.734 16.103 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.902 -1.581 17.321 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.128 -2.032 15.711 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.227 -2.876 16.932 1.00 0.00 C ATOM 82 CZ TYR A 7 8.340 -3.103 16.126 1.00 0.00 C ATOM 83 OH TYR A 7 8.653 -4.381 15.745 1.00 0.00 O ATOM 0 H TYR A 7 6.555 0.483 19.888 1.00 0.00 H new ATOM 0 HA TYR A 7 9.003 1.466 18.517 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.207 0.966 17.431 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.552 1.603 16.506 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.417 0.094 15.776 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.032 -1.410 17.938 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.990 -2.208 15.084 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.616 -3.706 17.255 1.00 0.00 H new ATOM 0 HH TYR A 7 7.999 -5.005 16.124 1.00 0.00 H new ATOM 93 N GLN A 8 8.424 3.910 18.816 1.00 0.00 N ATOM 94 CA GLN A 8 8.144 5.370 18.874 1.00 0.00 C ATOM 95 C GLN A 8 7.769 5.892 17.461 1.00 0.00 C ATOM 96 O GLN A 8 8.511 5.690 16.494 1.00 0.00 O ATOM 97 CB GLN A 8 9.396 6.093 19.452 1.00 0.00 C ATOM 98 CG GLN A 8 9.352 7.638 19.575 1.00 0.00 C ATOM 99 CD GLN A 8 8.326 8.193 20.579 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.516 8.114 21.793 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.234 8.773 20.104 1.00 0.00 N ATOM 0 H GLN A 8 9.417 3.688 18.746 1.00 0.00 H new ATOM 0 HA GLN A 8 7.296 5.574 19.527 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.589 5.684 20.444 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.250 5.832 18.828 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.343 7.991 19.862 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.136 8.057 18.592 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.086 8.834 19.097 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.541 9.159 20.746 1.00 0.00 H new ATOM 110 N LEU A 9 6.637 6.612 17.374 1.00 0.00 N ATOM 111 CA LEU A 9 6.188 7.274 16.123 1.00 0.00 C ATOM 112 C LEU A 9 7.092 8.489 15.760 1.00 0.00 C ATOM 113 O LEU A 9 7.418 9.331 16.602 1.00 0.00 O ATOM 114 CB LEU A 9 4.679 7.614 16.256 1.00 0.00 C ATOM 115 CG LEU A 9 3.974 8.344 15.081 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.058 7.578 13.750 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.505 8.622 15.450 1.00 0.00 C ATOM 0 H LEU A 9 6.005 6.755 18.162 1.00 0.00 H new ATOM 0 HA LEU A 9 6.297 6.598 15.274 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.144 6.681 16.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.556 8.228 17.148 1.00 0.00 H new ATOM 0 HG LEU A 9 4.505 9.283 14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.546 8.144 12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.104 7.444 13.473 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.584 6.603 13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.013 9.134 14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.995 7.679 15.648 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.466 9.249 16.340 1.00 0.00 H new ATOM 129 N GLN A 10 7.497 8.521 14.482 1.00 0.00 N ATOM 130 CA GLN A 10 8.434 9.532 13.928 1.00 0.00 C ATOM 131 C GLN A 10 7.692 10.477 12.938 1.00 0.00 C ATOM 132 O GLN A 10 7.629 11.679 13.213 1.00 0.00 O ATOM 133 CB GLN A 10 9.693 8.864 13.292 1.00 0.00 C ATOM 134 CG GLN A 10 10.518 7.886 14.166 1.00 0.00 C ATOM 135 CD GLN A 10 11.130 8.452 15.462 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.419 9.641 15.593 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.362 7.595 16.444 1.00 0.00 N ATOM 0 H GLN A 10 7.184 7.841 13.789 1.00 0.00 H new ATOM 0 HA GLN A 10 8.802 10.146 14.749 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.371 8.325 12.401 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.361 9.659 12.959 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.876 7.046 14.433 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.328 7.487 13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.120 6.611 16.330 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.782 7.919 17.315 1.00 0.00 H new ATOM 146 N SER A 11 7.154 9.960 11.806 1.00 0.00 N ATOM 147 CA SER A 11 6.511 10.790 10.756 1.00 0.00 C ATOM 148 C SER A 11 5.095 10.236 10.471 1.00 0.00 C ATOM 149 O SER A 11 4.922 9.261 9.733 1.00 0.00 O ATOM 150 CB SER A 11 7.401 10.811 9.494 1.00 0.00 C ATOM 151 OG SER A 11 6.845 11.654 8.490 1.00 0.00 O ATOM 0 H SER A 11 7.153 8.962 11.595 1.00 0.00 H new ATOM 0 HA SER A 11 6.404 11.821 11.092 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.400 11.161 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.509 9.799 9.105 1.00 0.00 H new ATOM 0 HG SER A 11 7.427 11.652 7.702 1.00 0.00 H new ATOM 157 N GLN A 12 4.084 10.912 11.041 1.00 0.00 N ATOM 158 CA GLN A 12 2.654 10.636 10.750 1.00 0.00 C ATOM 159 C GLN A 12 2.177 11.544 9.584 1.00 0.00 C ATOM 160 O GLN A 12 1.825 12.712 9.781 1.00 0.00 O ATOM 161 CB GLN A 12 1.756 10.721 12.016 1.00 0.00 C ATOM 162 CG GLN A 12 1.956 11.891 13.010 1.00 0.00 C ATOM 163 CD GLN A 12 1.094 11.837 14.286 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.169 11.041 14.439 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.399 12.686 15.252 1.00 0.00 N ATOM 0 H GLN A 12 4.227 11.664 11.715 1.00 0.00 H new ATOM 0 HA GLN A 12 2.556 9.600 10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.719 10.750 11.681 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.886 9.793 12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.005 11.919 13.303 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.745 12.826 12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.166 13.347 15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.868 12.680 16.123 1.00 0.00 H new ATOM 174 N GLU A 13 2.190 10.974 8.367 1.00 0.00 N ATOM 175 CA GLU A 13 1.837 11.697 7.118 1.00 0.00 C ATOM 176 C GLU A 13 0.307 11.592 6.900 1.00 0.00 C ATOM 177 O GLU A 13 -0.221 10.490 6.738 1.00 0.00 O ATOM 178 CB GLU A 13 2.600 11.098 5.905 1.00 0.00 C ATOM 179 CG GLU A 13 4.137 11.242 5.953 1.00 0.00 C ATOM 180 CD GLU A 13 4.823 10.696 4.697 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.810 9.463 4.487 1.00 0.00 O ATOM 182 OE2 GLU A 13 5.377 11.498 3.913 1.00 0.00 O ATOM 0 H GLU A 13 2.445 9.998 8.214 1.00 0.00 H new ATOM 0 HA GLU A 13 2.125 12.744 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.353 10.039 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.235 11.576 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.395 12.294 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.520 10.717 6.828 1.00 0.00 H new ATOM 189 N ASN A 14 -0.392 12.742 6.932 1.00 0.00 N ATOM 190 CA ASN A 14 -1.887 12.818 6.911 1.00 0.00 C ATOM 191 C ASN A 14 -2.560 12.239 8.196 1.00 0.00 C ATOM 192 O ASN A 14 -3.377 11.317 8.119 1.00 0.00 O ATOM 193 CB ASN A 14 -2.545 12.280 5.597 1.00 0.00 C ATOM 194 CG ASN A 14 -2.182 12.981 4.273 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.676 14.103 4.232 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.467 12.332 3.156 1.00 0.00 N ATOM 0 H ASN A 14 0.056 13.657 6.973 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.093 13.888 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.286 11.226 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.627 12.333 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.268 12.761 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.886 11.403 3.199 1.00 0.00 H new ATOM 203 N PHE A 15 -2.255 12.824 9.372 1.00 0.00 N ATOM 204 CA PHE A 15 -3.014 12.556 10.624 1.00 0.00 C ATOM 205 C PHE A 15 -4.357 13.346 10.645 1.00 0.00 C ATOM 206 O PHE A 15 -5.410 12.714 10.732 1.00 0.00 O ATOM 207 CB PHE A 15 -2.106 12.774 11.871 1.00 0.00 C ATOM 208 CG PHE A 15 -2.789 12.466 13.221 1.00 0.00 C ATOM 209 CD1 PHE A 15 -2.818 11.164 13.730 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.444 13.487 13.918 1.00 0.00 C ATOM 211 CE1 PHE A 15 -3.476 10.890 14.928 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.129 13.205 15.095 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.136 11.911 15.607 1.00 0.00 C ATOM 0 H PHE A 15 -1.488 13.487 9.487 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.307 11.507 10.659 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.220 12.146 11.774 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.763 13.809 11.879 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.328 10.366 13.192 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.418 14.498 13.540 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.474 9.887 15.329 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.657 13.992 15.613 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.653 11.699 16.531 1.00 0.00 H new ATOM 223 N GLU A 16 -4.337 14.694 10.592 1.00 0.00 N ATOM 224 CA GLU A 16 -5.566 15.529 10.753 1.00 0.00 C ATOM 225 C GLU A 16 -6.606 15.424 9.590 1.00 0.00 C ATOM 226 O GLU A 16 -7.809 15.410 9.870 1.00 0.00 O ATOM 227 CB GLU A 16 -5.208 17.007 11.069 1.00 0.00 C ATOM 228 CG GLU A 16 -4.435 17.219 12.392 1.00 0.00 C ATOM 229 CD GLU A 16 -4.303 18.689 12.792 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.232 19.224 13.440 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.270 19.316 12.471 1.00 0.00 O ATOM 0 H GLU A 16 -3.487 15.237 10.439 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.080 15.097 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.611 17.405 10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.129 17.589 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.942 16.677 13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.439 16.786 12.295 1.00 0.00 H new ATOM 238 N ALA A 17 -6.162 15.307 8.319 1.00 0.00 N ATOM 239 CA ALA A 17 -7.049 14.957 7.174 1.00 0.00 C ATOM 240 C ALA A 17 -7.717 13.550 7.236 1.00 0.00 C ATOM 241 O ALA A 17 -8.919 13.450 6.973 1.00 0.00 O ATOM 242 CB ALA A 17 -6.257 15.132 5.862 1.00 0.00 C ATOM 0 H ALA A 17 -5.188 15.450 8.053 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.893 15.645 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.895 14.879 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.927 16.167 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.388 14.474 5.871 1.00 0.00 H new ATOM 248 N PHE A 18 -6.966 12.484 7.591 1.00 0.00 N ATOM 249 CA PHE A 18 -7.514 11.109 7.761 1.00 0.00 C ATOM 250 C PHE A 18 -8.503 10.968 8.954 1.00 0.00 C ATOM 251 O PHE A 18 -9.600 10.444 8.759 1.00 0.00 O ATOM 252 CB PHE A 18 -6.323 10.113 7.870 1.00 0.00 C ATOM 253 CG PHE A 18 -6.691 8.622 7.994 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.010 7.861 6.864 1.00 0.00 C ATOM 255 CD2 PHE A 18 -6.716 8.019 9.258 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.381 6.527 7.002 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.073 6.681 9.390 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.414 5.941 8.264 1.00 0.00 C ATOM 0 H PHE A 18 -5.964 12.547 7.769 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.118 10.876 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.691 10.238 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.723 10.391 8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.968 8.310 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.457 8.595 10.134 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.643 5.946 6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.085 6.218 10.366 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.706 4.906 8.369 1.00 0.00 H new ATOM 268 N MET A 19 -8.098 11.394 10.166 1.00 0.00 N ATOM 269 CA MET A 19 -8.906 11.243 11.405 1.00 0.00 C ATOM 270 C MET A 19 -10.283 11.975 11.383 1.00 0.00 C ATOM 271 O MET A 19 -11.289 11.366 11.755 1.00 0.00 O ATOM 272 CB MET A 19 -8.059 11.639 12.645 1.00 0.00 C ATOM 273 CG MET A 19 -6.838 10.753 12.954 1.00 0.00 C ATOM 274 SD MET A 19 -7.323 9.030 13.174 1.00 0.00 S ATOM 275 CE MET A 19 -5.703 8.237 13.169 1.00 0.00 C ATOM 0 H MET A 19 -7.201 11.854 10.320 1.00 0.00 H new ATOM 0 HA MET A 19 -9.169 10.187 11.468 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.712 12.663 12.508 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.711 11.638 13.518 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.115 10.829 12.142 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.343 11.113 13.856 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.784 7.247 12.720 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.004 8.842 12.591 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.341 8.142 14.193 1.00 0.00 H new ATOM 285 N LYS A 20 -10.340 13.230 10.894 1.00 0.00 N ATOM 286 CA LYS A 20 -11.623 13.943 10.631 1.00 0.00 C ATOM 287 C LYS A 20 -12.515 13.321 9.502 1.00 0.00 C ATOM 288 O LYS A 20 -13.739 13.292 9.657 1.00 0.00 O ATOM 289 CB LYS A 20 -11.299 15.442 10.383 1.00 0.00 C ATOM 290 CG LYS A 20 -12.496 16.402 10.572 1.00 0.00 C ATOM 291 CD LYS A 20 -12.148 17.904 10.495 1.00 0.00 C ATOM 292 CE LYS A 20 -11.334 18.438 11.692 1.00 0.00 C ATOM 293 NZ LYS A 20 -11.083 19.885 11.574 1.00 0.00 N ATOM 0 H LYS A 20 -9.511 13.780 10.669 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.251 13.830 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.499 15.743 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.918 15.554 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.245 16.179 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.955 16.200 11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.585 18.086 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.074 18.474 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.872 18.236 12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.384 17.907 11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.066 20.313 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.167 20.042 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.839 20.324 11.010 1.00 0.00 H new ATOM 307 N ALA A 21 -11.917 12.822 8.397 1.00 0.00 N ATOM 308 CA ALA A 21 -12.654 12.152 7.291 1.00 0.00 C ATOM 309 C ALA A 21 -13.285 10.760 7.605 1.00 0.00 C ATOM 310 O ALA A 21 -14.396 10.497 7.135 1.00 0.00 O ATOM 311 CB ALA A 21 -11.724 12.065 6.067 1.00 0.00 C ATOM 0 H ALA A 21 -10.910 12.870 8.243 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.526 12.778 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.248 11.576 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.429 13.069 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.836 11.488 6.325 1.00 0.00 H new ATOM 317 N ILE A 22 -12.617 9.892 8.393 1.00 0.00 N ATOM 318 CA ILE A 22 -13.206 8.607 8.894 1.00 0.00 C ATOM 319 C ILE A 22 -14.423 8.787 9.871 1.00 0.00 C ATOM 320 O ILE A 22 -15.392 8.030 9.762 1.00 0.00 O ATOM 321 CB ILE A 22 -12.114 7.617 9.445 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.404 8.099 10.748 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.097 7.216 8.345 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.421 7.122 11.406 1.00 0.00 C ATOM 0 H ILE A 22 -11.659 10.050 8.705 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.637 8.134 8.012 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.663 6.723 9.740 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.866 9.019 10.520 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.172 8.351 11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.359 6.532 8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.622 6.726 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.594 8.108 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.998 7.579 12.301 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.946 6.207 11.680 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.620 6.885 10.706 1.00 0.00 H new ATOM 336 N GLY A 23 -14.365 9.769 10.794 1.00 0.00 N ATOM 337 CA GLY A 23 -15.485 10.119 11.694 1.00 0.00 C ATOM 338 C GLY A 23 -15.041 10.303 13.157 1.00 0.00 C ATOM 339 O GLY A 23 -15.481 9.538 14.020 1.00 0.00 O ATOM 0 H GLY A 23 -13.536 10.345 10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.953 11.039 11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.242 9.337 11.645 1.00 0.00 H new ATOM 343 N LEU A 24 -14.205 11.325 13.437 1.00 0.00 N ATOM 344 CA LEU A 24 -13.739 11.642 14.816 1.00 0.00 C ATOM 345 C LEU A 24 -13.983 13.149 15.171 1.00 0.00 C ATOM 346 O LEU A 24 -13.838 14.000 14.284 1.00 0.00 O ATOM 347 CB LEU A 24 -12.230 11.307 15.003 1.00 0.00 C ATOM 348 CG LEU A 24 -11.874 9.800 15.129 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.356 9.594 14.984 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.364 9.198 16.462 1.00 0.00 C ATOM 0 H LEU A 24 -13.833 11.953 12.724 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.324 11.019 15.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.680 11.720 14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.873 11.820 15.896 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.389 9.278 14.322 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.122 8.533 15.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.031 9.955 14.008 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.837 10.148 15.767 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.093 8.143 16.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.898 9.727 17.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.447 9.298 16.530 1.00 0.00 H new ATOM 362 N PRO A 25 -14.282 13.540 16.452 1.00 0.00 N ATOM 363 CA PRO A 25 -14.400 14.968 16.862 1.00 0.00 C ATOM 364 C PRO A 25 -13.043 15.736 16.907 1.00 0.00 C ATOM 365 O PRO A 25 -11.965 15.139 16.803 1.00 0.00 O ATOM 366 CB PRO A 25 -15.048 14.833 18.259 1.00 0.00 C ATOM 367 CG PRO A 25 -14.555 13.498 18.813 1.00 0.00 C ATOM 368 CD PRO A 25 -14.471 12.602 17.580 1.00 0.00 C ATOM 0 HA PRO A 25 -14.972 15.565 16.152 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.756 15.659 18.908 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.136 14.851 18.190 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.585 13.600 19.300 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.243 13.094 19.555 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.641 11.900 17.656 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.378 12.011 17.457 1.00 0.00 H new ATOM 376 N GLU A 26 -13.116 17.064 17.124 1.00 0.00 N ATOM 377 CA GLU A 26 -11.907 17.906 17.372 1.00 0.00 C ATOM 378 C GLU A 26 -11.499 17.956 18.891 1.00 0.00 C ATOM 379 O GLU A 26 -11.228 19.018 19.459 1.00 0.00 O ATOM 380 CB GLU A 26 -12.164 19.289 16.707 1.00 0.00 C ATOM 381 CG GLU A 26 -10.895 20.136 16.477 1.00 0.00 C ATOM 382 CD GLU A 26 -11.183 21.463 15.771 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.475 22.464 16.461 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.117 21.510 14.523 1.00 0.00 O ATOM 0 H GLU A 26 -13.993 17.585 17.134 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.023 17.465 16.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.658 19.130 15.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.855 19.855 17.332 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.420 20.337 17.437 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.184 19.562 15.883 1.00 0.00 H new ATOM 391 N GLU A 27 -11.411 16.765 19.512 1.00 0.00 N ATOM 392 CA GLU A 27 -10.891 16.546 20.880 1.00 0.00 C ATOM 393 C GLU A 27 -9.759 15.476 20.799 1.00 0.00 C ATOM 394 O GLU A 27 -8.607 15.808 21.085 1.00 0.00 O ATOM 395 CB GLU A 27 -12.083 16.189 21.814 1.00 0.00 C ATOM 396 CG GLU A 27 -11.761 16.192 23.320 1.00 0.00 C ATOM 397 CD GLU A 27 -10.995 14.967 23.838 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.590 13.870 23.913 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.794 15.097 24.167 1.00 0.00 O ATOM 0 H GLU A 27 -11.709 15.899 19.063 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.437 17.436 21.316 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.892 16.896 21.630 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.455 15.202 21.540 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.178 17.085 23.547 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.697 16.273 23.873 1.00 0.00 H new ATOM 406 N LEU A 28 -10.072 14.221 20.398 1.00 0.00 N ATOM 407 CA LEU A 28 -9.058 13.147 20.168 1.00 0.00 C ATOM 408 C LEU A 28 -8.027 13.406 19.019 1.00 0.00 C ATOM 409 O LEU A 28 -6.874 12.983 19.146 1.00 0.00 O ATOM 410 CB LEU A 28 -9.774 11.780 19.952 1.00 0.00 C ATOM 411 CG LEU A 28 -10.668 11.231 21.106 1.00 0.00 C ATOM 412 CD1 LEU A 28 -11.330 9.904 20.684 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.925 11.045 22.447 1.00 0.00 C ATOM 0 H LEU A 28 -11.030 13.918 20.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.453 13.139 21.075 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.395 11.866 19.060 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.010 11.033 19.737 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.426 11.994 21.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.951 9.532 21.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.949 10.070 19.803 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.558 9.170 20.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.617 10.660 23.196 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.105 10.339 22.314 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.528 12.004 22.779 1.00 0.00 H new ATOM 425 N ILE A 29 -8.411 14.132 17.944 1.00 0.00 N ATOM 426 CA ILE A 29 -7.461 14.714 16.944 1.00 0.00 C ATOM 427 C ILE A 29 -6.435 15.698 17.616 1.00 0.00 C ATOM 428 O ILE A 29 -5.231 15.556 17.397 1.00 0.00 O ATOM 429 CB ILE A 29 -8.228 15.376 15.734 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.245 14.421 15.035 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.255 15.942 14.663 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.232 15.086 14.064 1.00 0.00 C ATOM 0 H ILE A 29 -9.389 14.336 17.737 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.875 13.892 16.533 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.791 16.192 16.187 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.685 13.662 14.490 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.816 13.903 15.806 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.828 16.388 13.850 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.617 16.701 15.116 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.636 15.135 14.271 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.890 14.328 13.638 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.829 15.824 14.600 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.679 15.578 13.264 1.00 0.00 H new ATOM 444 N GLN A 30 -6.904 16.665 18.430 1.00 0.00 N ATOM 445 CA GLN A 30 -6.025 17.628 19.155 1.00 0.00 C ATOM 446 C GLN A 30 -5.027 17.024 20.194 1.00 0.00 C ATOM 447 O GLN A 30 -3.943 17.589 20.373 1.00 0.00 O ATOM 448 CB GLN A 30 -6.880 18.740 19.832 1.00 0.00 C ATOM 449 CG GLN A 30 -7.886 19.525 18.952 1.00 0.00 C ATOM 450 CD GLN A 30 -7.265 20.366 17.824 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.786 21.477 18.046 1.00 0.00 O ATOM 452 NE2 GLN A 30 -7.271 19.866 16.597 1.00 0.00 N ATOM 0 H GLN A 30 -7.898 16.807 18.608 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.387 18.035 18.370 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.438 18.281 20.648 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.196 19.461 20.280 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.585 18.816 18.509 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.467 20.185 19.596 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.671 18.944 16.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.876 20.403 15.825 1.00 0.00 H new ATOM 461 N LYS A 31 -5.360 15.890 20.846 1.00 0.00 N ATOM 462 CA LYS A 31 -4.412 15.141 21.715 1.00 0.00 C ATOM 463 C LYS A 31 -3.219 14.485 20.951 1.00 0.00 C ATOM 464 O LYS A 31 -2.076 14.640 21.391 1.00 0.00 O ATOM 465 CB LYS A 31 -5.155 14.078 22.570 1.00 0.00 C ATOM 466 CG LYS A 31 -6.308 14.517 23.506 1.00 0.00 C ATOM 467 CD LYS A 31 -5.970 15.517 24.638 1.00 0.00 C ATOM 468 CE LYS A 31 -6.028 17.020 24.286 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.384 17.492 23.941 1.00 0.00 N ATOM 0 H LYS A 31 -6.286 15.466 20.789 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.972 15.894 22.370 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.558 13.332 21.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.409 13.575 23.186 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.091 14.959 22.890 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.729 13.622 23.963 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.656 15.336 25.466 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.967 15.292 25.000 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.655 17.598 25.132 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.360 17.215 23.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.400 17.806 22.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.065 16.716 24.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.643 18.286 24.560 1.00 0.00 H new ATOM 483 N GLY A 32 -3.474 13.768 19.837 1.00 0.00 N ATOM 484 CA GLY A 32 -2.404 13.120 19.041 1.00 0.00 C ATOM 485 C GLY A 32 -1.886 13.828 17.766 1.00 0.00 C ATOM 486 O GLY A 32 -1.266 13.145 16.948 1.00 0.00 O ATOM 0 H GLY A 32 -4.413 13.621 19.466 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.551 12.965 19.701 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.763 12.134 18.747 1.00 0.00 H new ATOM 490 N LYS A 33 -2.090 15.153 17.587 1.00 0.00 N ATOM 491 CA LYS A 33 -1.517 15.918 16.441 1.00 0.00 C ATOM 492 C LYS A 33 -0.010 16.274 16.653 1.00 0.00 C ATOM 493 O LYS A 33 0.828 15.889 15.832 1.00 0.00 O ATOM 494 CB LYS A 33 -2.426 17.107 16.010 1.00 0.00 C ATOM 495 CG LYS A 33 -2.524 18.318 16.969 1.00 0.00 C ATOM 496 CD LYS A 33 -3.451 19.445 16.471 1.00 0.00 C ATOM 497 CE LYS A 33 -3.370 20.758 17.277 1.00 0.00 C ATOM 498 NZ LYS A 33 -3.737 20.619 18.700 1.00 0.00 N ATOM 0 H LYS A 33 -2.649 15.723 18.222 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.512 15.257 15.575 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.070 17.470 15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.433 16.720 15.853 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.881 17.971 17.939 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.525 18.726 17.124 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.210 19.660 15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.480 19.085 16.493 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.355 21.149 17.212 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.026 21.496 16.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.187 21.295 19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.752 20.814 18.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.531 19.651 19.019 1.00 0.00 H new ATOM 512 N ASP A 34 0.323 16.966 17.762 1.00 0.00 N ATOM 513 CA ASP A 34 1.722 17.220 18.196 1.00 0.00 C ATOM 514 C ASP A 34 2.375 16.004 18.929 1.00 0.00 C ATOM 515 O ASP A 34 3.554 15.736 18.683 1.00 0.00 O ATOM 516 CB ASP A 34 1.722 18.503 19.072 1.00 0.00 C ATOM 517 CG ASP A 34 3.113 19.079 19.382 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.663 19.819 18.538 1.00 0.00 O ATOM 519 OD2 ASP A 34 3.659 18.786 20.468 1.00 0.00 O ATOM 0 H ASP A 34 -0.373 17.369 18.389 1.00 0.00 H new ATOM 0 HA ASP A 34 2.345 17.367 17.314 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.133 19.269 18.568 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.219 18.282 20.013 1.00 0.00 H new ATOM 524 N ILE A 35 1.647 15.298 19.827 1.00 0.00 N ATOM 525 CA ILE A 35 2.213 14.191 20.646 1.00 0.00 C ATOM 526 C ILE A 35 2.164 12.906 19.763 1.00 0.00 C ATOM 527 O ILE A 35 1.091 12.357 19.488 1.00 0.00 O ATOM 528 CB ILE A 35 1.487 14.031 22.033 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.449 15.344 22.882 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.132 12.890 22.870 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.464 15.352 24.064 1.00 0.00 C ATOM 0 H ILE A 35 0.659 15.475 20.006 1.00 0.00 H new ATOM 0 HA ILE A 35 3.245 14.406 20.924 1.00 0.00 H new ATOM 0 HB ILE A 35 0.454 13.779 21.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.451 15.533 23.268 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.200 16.174 22.221 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.612 12.800 23.824 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.054 11.950 22.324 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.182 13.120 23.050 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.523 16.310 24.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.550 15.201 23.694 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.720 14.550 24.757 1.00 0.00 H new ATOM 543 N LYS A 36 3.356 12.442 19.349 1.00 0.00 N ATOM 544 CA LYS A 36 3.521 11.195 18.560 1.00 0.00 C ATOM 545 C LYS A 36 3.410 9.956 19.499 1.00 0.00 C ATOM 546 O LYS A 36 4.147 9.838 20.485 1.00 0.00 O ATOM 547 CB LYS A 36 4.886 11.236 17.813 1.00 0.00 C ATOM 548 CG LYS A 36 4.873 11.854 16.393 1.00 0.00 C ATOM 549 CD LYS A 36 4.751 13.387 16.275 1.00 0.00 C ATOM 550 CE LYS A 36 6.001 14.158 16.738 1.00 0.00 C ATOM 551 NZ LYS A 36 5.874 15.599 16.462 1.00 0.00 N ATOM 0 H LYS A 36 4.236 12.917 19.549 1.00 0.00 H new ATOM 0 HA LYS A 36 2.730 11.114 17.815 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.593 11.797 18.424 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.266 10.217 17.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.790 11.552 15.888 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.044 11.409 15.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.543 13.645 15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.895 13.718 16.863 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.152 14.002 17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.882 13.765 16.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.784 16.069 16.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.603 15.739 15.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.145 16.008 17.081 1.00 0.00 H new ATOM 565 N GLY A 37 2.464 9.053 19.182 1.00 0.00 N ATOM 566 CA GLY A 37 2.119 7.915 20.061 1.00 0.00 C ATOM 567 C GLY A 37 3.059 6.697 19.990 1.00 0.00 C ATOM 568 O GLY A 37 3.645 6.394 18.948 1.00 0.00 O ATOM 0 H GLY A 37 1.921 9.088 18.319 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.096 8.271 21.091 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.110 7.585 19.815 1.00 0.00 H new ATOM 572 N VAL A 38 3.170 5.989 21.126 1.00 0.00 N ATOM 573 CA VAL A 38 4.081 4.820 21.268 1.00 0.00 C ATOM 574 C VAL A 38 3.191 3.542 21.223 1.00 0.00 C ATOM 575 O VAL A 38 2.387 3.300 22.130 1.00 0.00 O ATOM 576 CB VAL A 38 4.960 4.917 22.561 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.907 3.705 22.733 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.830 6.194 22.621 1.00 0.00 C ATOM 0 H VAL A 38 2.639 6.201 21.971 1.00 0.00 H new ATOM 0 HA VAL A 38 4.804 4.789 20.453 1.00 0.00 H new ATOM 0 HB VAL A 38 4.227 4.940 23.368 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.491 3.826 23.645 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.319 2.790 22.798 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.579 3.644 21.877 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.412 6.195 23.543 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.505 6.215 21.766 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.187 7.074 22.597 1.00 0.00 H new ATOM 588 N SER A 39 3.390 2.719 20.178 1.00 0.00 N ATOM 589 CA SER A 39 2.702 1.412 20.027 1.00 0.00 C ATOM 590 C SER A 39 3.534 0.303 20.727 1.00 0.00 C ATOM 591 O SER A 39 4.586 -0.106 20.222 1.00 0.00 O ATOM 592 CB SER A 39 2.522 1.088 18.526 1.00 0.00 C ATOM 593 OG SER A 39 1.686 2.040 17.884 1.00 0.00 O ATOM 0 H SER A 39 4.029 2.935 19.413 1.00 0.00 H new ATOM 0 HA SER A 39 1.718 1.460 20.493 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.496 1.070 18.037 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.092 0.092 18.417 1.00 0.00 H new ATOM 0 HG SER A 39 1.464 1.725 16.983 1.00 0.00 H new ATOM 599 N GLU A 40 3.049 -0.180 21.886 1.00 0.00 N ATOM 600 CA GLU A 40 3.732 -1.246 22.667 1.00 0.00 C ATOM 601 C GLU A 40 3.165 -2.633 22.246 1.00 0.00 C ATOM 602 O GLU A 40 2.219 -3.142 22.854 1.00 0.00 O ATOM 603 CB GLU A 40 3.591 -0.926 24.180 1.00 0.00 C ATOM 604 CG GLU A 40 4.435 -1.839 25.097 1.00 0.00 C ATOM 605 CD GLU A 40 4.279 -1.495 26.579 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.362 -2.040 27.232 1.00 0.00 O ATOM 607 OE2 GLU A 40 5.071 -0.678 27.099 1.00 0.00 O ATOM 0 H GLU A 40 2.182 0.149 22.310 1.00 0.00 H new ATOM 0 HA GLU A 40 4.801 -1.283 22.458 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.881 0.111 24.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.542 -1.014 24.463 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.144 -2.877 24.937 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.485 -1.756 24.818 1.00 0.00 H new ATOM 614 N ILE A 41 3.761 -3.224 21.192 1.00 0.00 N ATOM 615 CA ILE A 41 3.236 -4.453 20.530 1.00 0.00 C ATOM 616 C ILE A 41 3.914 -5.674 21.220 1.00 0.00 C ATOM 617 O ILE A 41 5.137 -5.716 21.386 1.00 0.00 O ATOM 618 CB ILE A 41 3.448 -4.420 18.969 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.867 -3.141 18.288 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.871 -5.690 18.283 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.223 -2.929 16.811 1.00 0.00 C ATOM 0 H ILE A 41 4.619 -2.870 20.770 1.00 0.00 H new ATOM 0 HA ILE A 41 2.155 -4.525 20.652 1.00 0.00 H new ATOM 0 HB ILE A 41 4.529 -4.397 18.830 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.781 -3.171 18.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.208 -2.271 18.849 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.037 -5.630 17.207 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.370 -6.575 18.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.801 -5.757 18.482 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.761 -2.009 16.454 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.305 -2.857 16.704 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.856 -3.771 16.224 1.00 0.00 H new ATOM 633 N VAL A 42 3.089 -6.660 21.608 1.00 0.00 N ATOM 634 CA VAL A 42 3.560 -7.905 22.273 1.00 0.00 C ATOM 635 C VAL A 42 3.018 -9.071 21.396 1.00 0.00 C ATOM 636 O VAL A 42 1.864 -9.488 21.542 1.00 0.00 O ATOM 637 CB VAL A 42 3.118 -7.964 23.780 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.562 -9.271 24.479 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.639 -6.776 24.628 1.00 0.00 C ATOM 0 H VAL A 42 2.078 -6.625 21.474 1.00 0.00 H new ATOM 0 HA VAL A 42 4.647 -7.962 22.332 1.00 0.00 H new ATOM 0 HB VAL A 42 2.030 -7.915 23.732 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.231 -9.259 25.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.120 -10.126 23.967 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.649 -9.350 24.446 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.294 -6.884 25.656 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.729 -6.766 24.610 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.261 -5.841 24.215 1.00 0.00 H new ATOM 649 N GLN A 43 3.884 -9.611 20.516 1.00 0.00 N ATOM 650 CA GLN A 43 3.603 -10.860 19.762 1.00 0.00 C ATOM 651 C GLN A 43 3.985 -12.072 20.660 1.00 0.00 C ATOM 652 O GLN A 43 5.160 -12.260 21.000 1.00 0.00 O ATOM 653 CB GLN A 43 4.400 -10.843 18.428 1.00 0.00 C ATOM 654 CG GLN A 43 4.162 -12.064 17.505 1.00 0.00 C ATOM 655 CD GLN A 43 5.055 -12.070 16.256 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.675 -11.587 15.192 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.255 -12.627 16.349 1.00 0.00 N ATOM 0 H GLN A 43 4.794 -9.201 20.305 1.00 0.00 H new ATOM 0 HA GLN A 43 2.546 -10.941 19.510 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.142 -9.937 17.880 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.464 -10.783 18.659 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.338 -12.978 18.072 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.117 -12.077 17.195 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.565 -13.026 17.235 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.868 -12.656 15.534 1.00 0.00 H new ATOM 666 N ASN A 44 2.981 -12.895 21.005 1.00 0.00 N ATOM 667 CA ASN A 44 3.191 -14.199 21.685 1.00 0.00 C ATOM 668 C ASN A 44 2.680 -15.317 20.734 1.00 0.00 C ATOM 669 O ASN A 44 1.576 -15.846 20.906 1.00 0.00 O ATOM 670 CB ASN A 44 2.502 -14.213 23.081 1.00 0.00 C ATOM 671 CG ASN A 44 3.086 -13.266 24.156 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.256 -12.881 24.132 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.278 -12.889 25.134 1.00 0.00 N ATOM 0 H ASN A 44 2.000 -12.682 20.824 1.00 0.00 H new ATOM 0 HA ASN A 44 4.248 -14.372 21.885 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.450 -13.963 22.943 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.540 -15.231 23.468 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.623 -12.277 25.873 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.310 -13.211 25.149 1.00 0.00 H new ATOM 680 N GLY A 45 3.487 -15.643 19.700 1.00 0.00 N ATOM 681 CA GLY A 45 3.089 -16.580 18.624 1.00 0.00 C ATOM 682 C GLY A 45 1.957 -16.029 17.727 1.00 0.00 C ATOM 683 O GLY A 45 2.130 -15.013 17.047 1.00 0.00 O ATOM 0 H GLY A 45 4.428 -15.266 19.587 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.958 -16.804 18.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.765 -17.520 19.071 1.00 0.00 H new ATOM 687 N LYS A 46 0.790 -16.691 17.791 1.00 0.00 N ATOM 688 CA LYS A 46 -0.466 -16.189 17.167 1.00 0.00 C ATOM 689 C LYS A 46 -1.197 -15.060 17.962 1.00 0.00 C ATOM 690 O LYS A 46 -1.821 -14.212 17.319 1.00 0.00 O ATOM 691 CB LYS A 46 -1.464 -17.353 16.918 1.00 0.00 C ATOM 692 CG LYS A 46 -0.981 -18.464 15.962 1.00 0.00 C ATOM 693 CD LYS A 46 -2.038 -19.568 15.753 1.00 0.00 C ATOM 694 CE LYS A 46 -1.580 -20.714 14.832 1.00 0.00 C ATOM 695 NZ LYS A 46 -0.578 -21.604 15.451 1.00 0.00 N ATOM 0 H LYS A 46 0.681 -17.584 18.271 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.139 -15.744 16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.708 -17.808 17.878 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.388 -16.934 16.519 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.726 -18.023 14.998 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.069 -18.910 16.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.310 -19.983 16.723 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.939 -19.119 15.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.449 -21.305 14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.163 -20.290 13.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.314 -22.351 14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.267 -21.053 15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.979 -22.036 16.308 1.00 0.00 H new ATOM 709 N HIS A 47 -1.173 -15.058 19.316 1.00 0.00 N ATOM 710 CA HIS A 47 -1.936 -14.091 20.150 1.00 0.00 C ATOM 711 C HIS A 47 -1.136 -12.770 20.316 1.00 0.00 C ATOM 712 O HIS A 47 -0.128 -12.700 21.026 1.00 0.00 O ATOM 713 CB HIS A 47 -2.288 -14.703 21.537 1.00 0.00 C ATOM 714 CG HIS A 47 -3.505 -15.635 21.557 1.00 0.00 C ATOM 715 ND1 HIS A 47 -4.695 -15.343 22.202 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.594 -16.903 20.953 1.00 0.00 C ATOM 717 CE1 HIS A 47 -5.404 -16.479 21.920 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.836 -17.483 21.174 1.00 0.00 N ATOM 0 H HIS A 47 -0.627 -15.724 19.862 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.872 -13.866 19.639 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.422 -15.256 21.901 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.464 -13.889 22.240 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.798 -17.366 20.389 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.415 -16.587 22.286 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.213 -18.382 20.874 1.00 0.00 H new ATOM 726 N PHE A 48 -1.649 -11.727 19.654 1.00 0.00 N ATOM 727 CA PHE A 48 -1.130 -10.338 19.746 1.00 0.00 C ATOM 728 C PHE A 48 -1.944 -9.507 20.778 1.00 0.00 C ATOM 729 O PHE A 48 -3.163 -9.664 20.917 1.00 0.00 O ATOM 730 CB PHE A 48 -1.236 -9.646 18.357 1.00 0.00 C ATOM 731 CG PHE A 48 -0.170 -10.010 17.307 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.226 -11.232 16.629 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.770 -9.052 16.910 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.645 -11.496 15.575 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.615 -9.304 15.834 1.00 0.00 C ATOM 736 CZ PHE A 48 1.554 -10.525 15.168 1.00 0.00 C ATOM 0 H PHE A 48 -2.449 -11.815 19.027 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.090 -10.387 20.068 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.215 -9.877 17.938 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.202 -8.568 18.513 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.950 -11.976 16.925 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.840 -8.114 17.441 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.615 -12.453 15.075 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.320 -8.551 15.515 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.213 -10.718 14.335 1.00 0.00 H new ATOM 746 N LYS A 49 -1.257 -8.553 21.431 1.00 0.00 N ATOM 747 CA LYS A 49 -1.919 -7.426 22.136 1.00 0.00 C ATOM 748 C LYS A 49 -1.011 -6.174 22.009 1.00 0.00 C ATOM 749 O LYS A 49 0.173 -6.220 22.362 1.00 0.00 O ATOM 750 CB LYS A 49 -2.239 -7.765 23.617 1.00 0.00 C ATOM 751 CG LYS A 49 -3.175 -6.728 24.282 1.00 0.00 C ATOM 752 CD LYS A 49 -3.692 -7.081 25.691 1.00 0.00 C ATOM 753 CE LYS A 49 -2.698 -6.897 26.858 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.711 -7.986 26.972 1.00 0.00 N ATOM 0 H LYS A 49 -0.239 -8.535 21.489 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.884 -7.227 21.671 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.702 -8.750 23.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.308 -7.821 24.181 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.646 -5.777 24.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.035 -6.575 23.630 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.572 -6.471 25.894 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.020 -8.121 25.683 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.170 -5.952 26.729 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.256 -6.825 27.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.347 -8.024 27.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.165 -8.892 26.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.924 -7.812 26.314 1.00 0.00 H new ATOM 768 N PHE A 50 -1.597 -5.054 21.546 1.00 0.00 N ATOM 769 CA PHE A 50 -0.889 -3.745 21.452 1.00 0.00 C ATOM 770 C PHE A 50 -1.580 -2.634 22.292 1.00 0.00 C ATOM 771 O PHE A 50 -2.767 -2.729 22.619 1.00 0.00 O ATOM 772 CB PHE A 50 -0.591 -3.357 19.975 1.00 0.00 C ATOM 773 CG PHE A 50 -1.735 -3.048 18.984 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.551 -1.922 19.153 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.858 -3.807 17.814 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.459 -1.554 18.165 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.768 -3.436 16.825 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.557 -2.305 16.998 1.00 0.00 C ATOM 0 H PHE A 50 -2.565 -5.021 21.227 1.00 0.00 H new ATOM 0 HA PHE A 50 0.090 -3.861 21.917 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.054 -2.479 20.000 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.007 -4.170 19.544 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.475 -1.335 20.057 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.244 -4.685 17.677 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.087 -0.686 18.304 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.860 -4.027 15.926 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.249 -2.008 16.224 1.00 0.00 H new ATOM 788 N THR A 51 -0.814 -1.573 22.623 1.00 0.00 N ATOM 789 CA THR A 51 -1.319 -0.420 23.419 1.00 0.00 C ATOM 790 C THR A 51 -0.740 0.875 22.774 1.00 0.00 C ATOM 791 O THR A 51 0.424 1.220 23.002 1.00 0.00 O ATOM 792 CB THR A 51 -0.954 -0.573 24.932 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.312 -1.864 25.420 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.655 0.453 25.840 1.00 0.00 C ATOM 0 H THR A 51 0.165 -1.486 22.351 1.00 0.00 H new ATOM 0 HA THR A 51 -2.408 -0.373 23.397 1.00 0.00 H new ATOM 0 HB THR A 51 0.123 -0.411 24.972 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.072 -1.934 26.368 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.355 0.288 26.875 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.371 1.461 25.537 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.735 0.338 25.752 1.00 0.00 H new ATOM 802 N ILE A 52 -1.569 1.586 21.983 1.00 0.00 N ATOM 803 CA ILE A 52 -1.173 2.857 21.300 1.00 0.00 C ATOM 804 C ILE A 52 -1.760 4.025 22.147 1.00 0.00 C ATOM 805 O ILE A 52 -2.971 4.062 22.380 1.00 0.00 O ATOM 806 CB ILE A 52 -1.641 2.970 19.798 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.462 1.667 18.963 1.00 0.00 C ATOM 808 CG2 ILE A 52 -0.934 4.170 19.108 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.956 1.694 17.507 1.00 0.00 C ATOM 0 H ILE A 52 -2.531 1.305 21.793 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.085 2.889 21.244 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.717 3.139 19.832 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.402 1.413 18.956 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.980 0.860 19.481 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.264 4.240 18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.187 5.092 19.632 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.145 4.021 19.136 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.771 0.726 17.042 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.025 1.907 17.489 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.423 2.469 16.956 1.00 0.00 H new ATOM 821 N THR A 53 -0.913 4.984 22.564 1.00 0.00 N ATOM 822 CA THR A 53 -1.375 6.186 23.318 1.00 0.00 C ATOM 823 C THR A 53 -0.729 7.441 22.668 1.00 0.00 C ATOM 824 O THR A 53 0.424 7.772 22.965 1.00 0.00 O ATOM 825 CB THR A 53 -1.086 6.033 24.844 1.00 0.00 C ATOM 826 OG1 THR A 53 -1.718 4.858 25.345 1.00 0.00 O ATOM 827 CG2 THR A 53 -1.591 7.211 25.697 1.00 0.00 C ATOM 0 H THR A 53 0.093 4.959 22.397 1.00 0.00 H new ATOM 0 HA THR A 53 -2.457 6.300 23.254 1.00 0.00 H new ATOM 0 HB THR A 53 0.000 5.989 24.926 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.530 4.769 26.303 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.352 7.030 26.745 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.108 8.131 25.369 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.671 7.307 25.582 1.00 0.00 H new ATOM 835 N ALA A 54 -1.501 8.151 21.818 1.00 0.00 N ATOM 836 CA ALA A 54 -1.085 9.457 21.237 1.00 0.00 C ATOM 837 C ALA A 54 -1.707 10.616 22.063 1.00 0.00 C ATOM 838 O ALA A 54 -2.830 11.061 21.800 1.00 0.00 O ATOM 839 CB ALA A 54 -1.483 9.486 19.748 1.00 0.00 C ATOM 0 H ALA A 54 -2.424 7.843 21.513 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.004 9.586 21.288 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.184 10.438 19.310 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.984 8.672 19.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.563 9.369 19.658 1.00 0.00 H new ATOM 845 N GLY A 55 -0.974 11.059 23.103 1.00 0.00 N ATOM 846 CA GLY A 55 -1.484 12.035 24.094 1.00 0.00 C ATOM 847 C GLY A 55 -2.413 11.374 25.132 1.00 0.00 C ATOM 848 O GLY A 55 -1.955 10.601 25.978 1.00 0.00 O ATOM 0 H GLY A 55 -0.017 10.754 23.282 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.644 12.504 24.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.025 12.828 23.577 1.00 0.00 H new ATOM 852 N SER A 56 -3.719 11.655 25.011 1.00 0.00 N ATOM 853 CA SER A 56 -4.784 10.819 25.618 1.00 0.00 C ATOM 854 C SER A 56 -5.710 10.344 24.467 1.00 0.00 C ATOM 855 O SER A 56 -6.775 10.921 24.219 1.00 0.00 O ATOM 856 CB SER A 56 -5.510 11.621 26.720 1.00 0.00 C ATOM 857 OG SER A 56 -6.520 10.832 27.340 1.00 0.00 O ATOM 0 H SER A 56 -4.073 12.461 24.495 1.00 0.00 H new ATOM 0 HA SER A 56 -4.386 9.935 26.116 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.790 11.952 27.469 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.956 12.517 26.289 1.00 0.00 H new ATOM 0 HG SER A 56 -6.966 11.359 28.036 1.00 0.00 H new ATOM 863 N LYS A 57 -5.273 9.286 23.753 1.00 0.00 N ATOM 864 CA LYS A 57 -6.052 8.684 22.642 1.00 0.00 C ATOM 865 C LYS A 57 -5.673 7.178 22.614 1.00 0.00 C ATOM 866 O LYS A 57 -4.706 6.779 21.955 1.00 0.00 O ATOM 867 CB LYS A 57 -5.788 9.456 21.311 1.00 0.00 C ATOM 868 CG LYS A 57 -6.857 9.285 20.210 1.00 0.00 C ATOM 869 CD LYS A 57 -6.814 7.998 19.360 1.00 0.00 C ATOM 870 CE LYS A 57 -5.638 7.880 18.370 1.00 0.00 C ATOM 871 NZ LYS A 57 -5.735 8.823 17.240 1.00 0.00 N ATOM 0 H LYS A 57 -4.379 8.826 23.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.130 8.764 22.782 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.697 10.518 21.541 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.827 9.133 20.911 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.837 9.341 20.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.780 10.136 19.533 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.783 7.142 20.034 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.745 7.927 18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.704 8.056 18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.598 6.862 17.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.917 8.696 16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.611 8.641 16.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.745 9.798 17.601 1.00 0.00 H new ATOM 885 N VAL A 58 -6.422 6.360 23.380 1.00 0.00 N ATOM 886 CA VAL A 58 -6.001 4.975 23.737 1.00 0.00 C ATOM 887 C VAL A 58 -6.700 3.988 22.756 1.00 0.00 C ATOM 888 O VAL A 58 -7.916 3.778 22.831 1.00 0.00 O ATOM 889 CB VAL A 58 -6.268 4.667 25.254 1.00 0.00 C ATOM 890 CG1 VAL A 58 -5.901 3.216 25.654 1.00 0.00 C ATOM 891 CG2 VAL A 58 -5.504 5.618 26.212 1.00 0.00 C ATOM 0 H VAL A 58 -7.326 6.629 23.768 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.924 4.857 23.622 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.342 4.819 25.361 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.109 3.067 26.714 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.494 2.515 25.066 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.842 3.043 25.464 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.731 5.353 27.245 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.432 5.523 26.040 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.812 6.647 26.025 1.00 0.00 H new ATOM 901 N ILE A 59 -5.896 3.372 21.869 1.00 0.00 N ATOM 902 CA ILE A 59 -6.363 2.326 20.913 1.00 0.00 C ATOM 903 C ILE A 59 -5.632 1.024 21.350 1.00 0.00 C ATOM 904 O ILE A 59 -4.487 0.778 20.952 1.00 0.00 O ATOM 905 CB ILE A 59 -6.109 2.755 19.422 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.715 4.135 19.023 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.545 1.676 18.400 1.00 0.00 C ATOM 908 CD1 ILE A 59 -8.228 4.314 19.232 1.00 0.00 C ATOM 0 H ILE A 59 -4.901 3.579 21.788 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.441 2.170 20.944 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.025 2.865 19.380 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.200 4.909 19.591 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.494 4.312 17.970 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.345 2.030 17.389 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.986 0.758 18.580 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.611 1.480 18.511 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.523 5.315 18.916 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.767 3.574 18.641 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.468 4.181 20.287 1.00 0.00 H new ATOM 920 N GLN A 60 -6.308 0.221 22.194 1.00 0.00 N ATOM 921 CA GLN A 60 -5.696 -0.960 22.855 1.00 0.00 C ATOM 922 C GLN A 60 -6.438 -2.222 22.352 1.00 0.00 C ATOM 923 O GLN A 60 -7.565 -2.505 22.771 1.00 0.00 O ATOM 924 CB GLN A 60 -5.754 -0.773 24.395 1.00 0.00 C ATOM 925 CG GLN A 60 -4.779 -1.637 25.224 1.00 0.00 C ATOM 926 CD GLN A 60 -5.135 -3.120 25.382 1.00 0.00 C ATOM 927 OE1 GLN A 60 -4.846 -3.948 24.518 1.00 0.00 O ATOM 928 NE2 GLN A 60 -5.735 -3.493 26.499 1.00 0.00 N ATOM 0 H GLN A 60 -7.287 0.367 22.439 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.642 -1.074 22.603 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.559 0.275 24.620 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.770 -0.987 24.728 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.792 -1.571 24.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.698 -1.199 26.219 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.970 -2.799 27.208 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.963 -4.475 26.652 1.00 0.00 H new ATOM 937 N ASN A 61 -5.795 -2.946 21.423 1.00 0.00 N ATOM 938 CA ASN A 61 -6.471 -3.985 20.599 1.00 0.00 C ATOM 939 C ASN A 61 -5.789 -5.355 20.840 1.00 0.00 C ATOM 940 O ASN A 61 -4.568 -5.487 20.702 1.00 0.00 O ATOM 941 CB ASN A 61 -6.439 -3.619 19.087 1.00 0.00 C ATOM 942 CG ASN A 61 -7.077 -2.272 18.667 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.643 -1.533 19.467 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.980 -1.904 17.402 1.00 0.00 N ATOM 0 H ASN A 61 -4.802 -2.837 21.216 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.517 -4.041 20.899 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.398 -3.614 18.763 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.940 -4.415 18.537 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.373 -1.013 17.098 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.512 -2.511 16.729 1.00 0.00 H new ATOM 951 N GLU A 62 -6.608 -6.367 21.169 1.00 0.00 N ATOM 952 CA GLU A 62 -6.153 -7.770 21.342 1.00 0.00 C ATOM 953 C GLU A 62 -6.748 -8.568 20.158 1.00 0.00 C ATOM 954 O GLU A 62 -7.972 -8.701 20.035 1.00 0.00 O ATOM 955 CB GLU A 62 -6.599 -8.317 22.729 1.00 0.00 C ATOM 956 CG GLU A 62 -5.928 -9.631 23.205 1.00 0.00 C ATOM 957 CD GLU A 62 -6.304 -10.910 22.442 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.481 -11.330 22.507 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.424 -11.500 21.775 1.00 0.00 O ATOM 0 H GLU A 62 -7.608 -6.242 21.325 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.066 -7.856 21.332 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.408 -7.547 23.476 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.677 -8.475 22.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.847 -9.503 23.144 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.173 -9.777 24.257 1.00 0.00 H new ATOM 966 N PHE A 63 -5.861 -9.100 19.303 1.00 0.00 N ATOM 967 CA PHE A 63 -6.257 -9.932 18.137 1.00 0.00 C ATOM 968 C PHE A 63 -5.476 -11.276 18.108 1.00 0.00 C ATOM 969 O PHE A 63 -4.426 -11.429 18.737 1.00 0.00 O ATOM 970 CB PHE A 63 -6.175 -9.092 16.827 1.00 0.00 C ATOM 971 CG PHE A 63 -4.777 -8.749 16.273 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.107 -9.656 15.442 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.167 -7.529 16.589 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.850 -9.345 14.934 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.910 -7.223 16.076 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.256 -8.127 15.245 1.00 0.00 C ATOM 0 H PHE A 63 -4.853 -8.972 19.392 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.301 -10.230 18.232 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.719 -9.630 16.051 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.706 -8.155 16.997 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.568 -10.601 15.195 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.673 -6.824 17.232 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.335 -10.050 14.298 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.441 -6.282 16.323 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.285 -7.882 14.841 1.00 0.00 H new ATOM 986 N THR A 64 -5.997 -12.242 17.334 1.00 0.00 N ATOM 987 CA THR A 64 -5.297 -13.523 17.049 1.00 0.00 C ATOM 988 C THR A 64 -5.366 -13.749 15.511 1.00 0.00 C ATOM 989 O THR A 64 -6.427 -13.631 14.885 1.00 0.00 O ATOM 990 CB THR A 64 -5.883 -14.706 17.875 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.955 -14.365 19.257 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.028 -15.980 17.782 1.00 0.00 C ATOM 0 H THR A 64 -6.910 -12.166 16.886 1.00 0.00 H new ATOM 0 HA THR A 64 -4.254 -13.472 17.361 1.00 0.00 H new ATOM 0 HB THR A 64 -6.869 -14.896 17.452 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.326 -15.119 19.761 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.486 -16.770 18.378 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.964 -16.300 16.742 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.027 -15.775 18.160 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.207 -14.085 14.915 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.035 -14.171 13.434 1.00 0.00 C ATOM 1002 C VAL A 65 -4.784 -15.384 12.808 1.00 0.00 C ATOM 1003 O VAL A 65 -4.738 -16.501 13.336 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.529 -14.129 13.000 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.884 -12.761 13.289 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.648 -15.264 13.565 1.00 0.00 C ATOM 0 H VAL A 65 -3.359 -14.306 15.436 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.505 -13.274 13.030 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.567 -14.293 11.923 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.841 -12.776 12.973 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.418 -11.984 12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.936 -12.553 14.358 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.626 -15.144 13.206 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.657 -15.224 14.654 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.038 -16.226 13.234 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.500 -15.122 11.699 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.411 -16.125 11.089 1.00 0.00 C ATOM 1018 C GLY A 66 -7.842 -16.281 11.673 1.00 0.00 C ATOM 1019 O GLY A 66 -8.743 -16.701 10.942 1.00 0.00 O ATOM 0 H GLY A 66 -5.470 -14.230 11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.510 -15.882 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.921 -17.097 11.149 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.047 -15.954 12.963 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.367 -15.992 13.639 1.00 0.00 C ATOM 1025 C GLU A 67 -9.997 -14.570 13.629 1.00 0.00 C ATOM 1026 O GLU A 67 -9.295 -13.551 13.679 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.199 -16.508 15.097 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.889 -18.013 15.263 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.426 -18.411 15.028 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -6.596 -18.235 15.947 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.099 -18.898 13.923 1.00 0.00 O ATOM 0 H GLU A 67 -7.292 -15.651 13.578 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.031 -16.673 13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.398 -15.940 15.570 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.114 -16.285 15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.174 -18.317 16.270 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.517 -18.575 14.571 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.344 -14.516 13.605 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.098 -13.232 13.642 1.00 0.00 C ATOM 1040 C GLU A 68 -12.130 -12.662 15.089 1.00 0.00 C ATOM 1041 O GLU A 68 -12.806 -13.190 15.977 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.486 -13.347 12.947 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.601 -14.201 13.605 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.574 -13.422 14.503 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.292 -12.533 13.992 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.637 -13.702 15.721 1.00 0.00 O ATOM 0 H GLU A 68 -11.939 -15.344 13.560 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.569 -12.490 13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.876 -12.336 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.318 -13.744 11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.172 -14.693 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.133 -14.987 14.198 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.339 -11.601 15.306 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.260 -10.884 16.603 1.00 0.00 C ATOM 1055 C CYS A 69 -11.908 -9.481 16.480 1.00 0.00 C ATOM 1056 O CYS A 69 -12.026 -8.915 15.389 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.786 -10.809 17.042 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.182 -12.478 17.465 1.00 0.00 S ATOM 0 H CYS A 69 -10.730 -11.208 14.588 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.817 -11.423 17.369 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.180 -10.385 16.242 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.686 -10.147 17.902 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.421 -12.410 18.517 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.338 -8.932 17.630 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.065 -7.637 17.685 1.00 0.00 C ATOM 1066 C GLU A 70 -12.112 -6.589 18.308 1.00 0.00 C ATOM 1067 O GLU A 70 -11.750 -6.678 19.488 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.410 -7.741 18.446 1.00 0.00 C ATOM 1069 CG GLU A 70 -15.580 -8.487 17.771 1.00 0.00 C ATOM 1070 CD GLU A 70 -15.435 -10.012 17.670 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.620 -10.704 18.695 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -15.134 -10.526 16.569 1.00 0.00 O ATOM 0 H GLU A 70 -12.196 -9.363 18.543 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.343 -7.330 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.214 -8.227 19.402 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.746 -6.728 18.667 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.494 -8.264 18.322 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.709 -8.086 16.765 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.683 -5.626 17.476 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.555 -4.716 17.814 1.00 0.00 C ATOM 1081 C LEU A 71 -11.112 -3.343 18.268 1.00 0.00 C ATOM 1082 O LEU A 71 -11.959 -2.762 17.586 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.598 -4.569 16.596 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.682 -5.792 16.293 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -9.352 -6.849 15.400 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.362 -5.359 15.631 1.00 0.00 C ATOM 0 H LEU A 71 -12.096 -5.450 16.560 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.979 -5.139 18.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.199 -4.363 15.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.964 -3.698 16.761 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.484 -6.243 17.265 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.659 -7.673 15.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.249 -7.226 15.892 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.624 -6.399 14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.748 -6.238 15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.576 -4.848 14.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.825 -4.684 16.297 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.620 -2.823 19.412 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.166 -1.588 20.050 1.00 0.00 C ATOM 1100 C GLU A 72 -10.695 -0.299 19.312 1.00 0.00 C ATOM 1101 O GLU A 72 -9.671 0.308 19.643 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.776 -1.543 21.553 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.445 -2.611 22.439 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.029 -2.512 23.908 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.664 -1.746 24.666 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -10.066 -3.200 24.312 1.00 0.00 O ATOM 0 H GLU A 72 -9.840 -3.237 19.922 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.253 -1.623 19.971 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.695 -1.653 21.634 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.027 -0.558 21.947 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.528 -2.510 22.366 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.191 -3.601 22.061 1.00 0.00 H new ATOM 1113 N THR A 73 -11.464 0.087 18.282 1.00 0.00 N ATOM 1114 CA THR A 73 -11.017 1.074 17.256 1.00 0.00 C ATOM 1115 C THR A 73 -11.622 2.488 17.511 1.00 0.00 C ATOM 1116 O THR A 73 -12.541 2.693 18.312 1.00 0.00 O ATOM 1117 CB THR A 73 -11.261 0.528 15.811 1.00 0.00 C ATOM 1118 OG1 THR A 73 -12.604 0.087 15.633 1.00 0.00 O ATOM 1119 CG2 THR A 73 -10.298 -0.603 15.403 1.00 0.00 C ATOM 0 H THR A 73 -12.408 -0.266 18.127 1.00 0.00 H new ATOM 0 HA THR A 73 -9.939 1.206 17.349 1.00 0.00 H new ATOM 0 HB THR A 73 -11.063 1.378 15.158 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.765 -0.095 14.684 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.529 -0.930 14.389 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.271 -0.239 15.442 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.411 -1.442 16.089 1.00 0.00 H new ATOM 1127 N MET A 74 -11.036 3.476 16.817 1.00 0.00 N ATOM 1128 CA MET A 74 -11.313 4.923 17.026 1.00 0.00 C ATOM 1129 C MET A 74 -12.758 5.398 16.676 1.00 0.00 C ATOM 1130 O MET A 74 -13.426 5.966 17.545 1.00 0.00 O ATOM 1131 CB MET A 74 -10.167 5.741 16.364 1.00 0.00 C ATOM 1132 CG MET A 74 -10.023 5.674 14.829 1.00 0.00 C ATOM 1133 SD MET A 74 -8.390 6.266 14.333 1.00 0.00 S ATOM 1134 CE MET A 74 -7.380 4.784 14.549 1.00 0.00 C ATOM 0 H MET A 74 -10.348 3.301 16.085 1.00 0.00 H new ATOM 0 HA MET A 74 -11.309 5.116 18.099 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.299 6.787 16.642 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.225 5.412 16.803 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.166 4.649 14.487 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.797 6.279 14.356 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.347 5.005 14.279 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.422 4.464 15.590 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.760 3.988 13.909 1.00 0.00 H new ATOM 1144 N THR A 75 -13.228 5.158 15.437 1.00 0.00 N ATOM 1145 CA THR A 75 -14.611 5.506 14.989 1.00 0.00 C ATOM 1146 C THR A 75 -15.592 4.290 15.024 1.00 0.00 C ATOM 1147 O THR A 75 -16.716 4.456 15.509 1.00 0.00 O ATOM 1148 CB THR A 75 -14.588 6.302 13.649 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.907 6.731 13.325 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.010 5.591 12.416 1.00 0.00 C ATOM 0 H THR A 75 -12.666 4.717 14.709 1.00 0.00 H new ATOM 0 HA THR A 75 -15.037 6.189 15.723 1.00 0.00 H new ATOM 0 HB THR A 75 -13.900 7.121 13.857 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.994 7.690 13.509 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.056 6.259 11.556 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.973 5.316 12.607 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.591 4.692 12.209 1.00 0.00 H new ATOM 1158 N GLY A 76 -15.191 3.093 14.541 1.00 0.00 N ATOM 1159 CA GLY A 76 -16.005 1.855 14.656 1.00 0.00 C ATOM 1160 C GLY A 76 -16.298 1.356 16.092 1.00 0.00 C ATOM 1161 O GLY A 76 -17.467 1.196 16.451 1.00 0.00 O ATOM 0 H GLY A 76 -14.301 2.955 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.957 2.024 14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.494 1.059 14.115 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.236 1.125 16.890 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.316 0.733 18.324 1.00 0.00 C ATOM 1167 C GLU A 77 -15.748 -0.752 18.485 1.00 0.00 C ATOM 1168 O GLU A 77 -16.937 -1.076 18.426 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.098 1.738 19.221 1.00 0.00 C ATOM 1170 CG GLU A 77 -15.861 1.560 20.736 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.630 2.579 21.579 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.794 2.305 21.947 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -16.074 3.659 21.878 1.00 0.00 O ATOM 0 H GLU A 77 -14.276 1.206 16.555 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.303 0.798 18.720 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.817 2.753 18.939 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.164 1.634 19.018 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.158 0.553 21.030 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.795 1.652 20.946 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.750 -1.633 18.692 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.937 -3.098 18.903 1.00 0.00 C ATOM 1182 C LYS A 78 -15.504 -3.810 17.638 1.00 0.00 C ATOM 1183 O LYS A 78 -16.693 -4.136 17.572 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.636 -3.395 20.259 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.453 -4.841 20.765 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.751 -5.064 22.263 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.737 -4.419 23.236 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.120 -3.063 23.676 1.00 0.00 N ATOM 0 H LYS A 78 -13.770 -1.350 18.719 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.962 -3.571 19.017 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.250 -2.708 21.012 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.702 -3.190 20.157 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -16.101 -5.496 20.182 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.427 -5.149 20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.743 -4.670 22.483 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.784 -6.136 22.455 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.629 -5.059 24.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.761 -4.373 22.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.301 -2.428 23.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.893 -2.709 23.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.437 -3.096 24.666 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.629 -3.981 16.628 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.035 -4.272 15.228 1.00 0.00 C ATOM 1204 C VAL A 79 -14.494 -5.657 14.775 1.00 0.00 C ATOM 1205 O VAL A 79 -13.278 -5.875 14.739 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.602 -3.082 14.303 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.082 -2.818 14.161 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.207 -3.216 12.894 1.00 0.00 C ATOM 0 H VAL A 79 -13.619 -3.922 16.754 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.120 -4.349 15.155 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.001 -2.219 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.921 -1.970 13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.658 -2.596 15.140 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.596 -3.702 13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.887 -2.375 12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.869 -4.147 12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.295 -3.221 12.964 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.410 -6.564 14.376 1.00 0.00 N ATOM 1219 CA LYS A 80 -15.055 -7.943 13.957 1.00 0.00 C ATOM 1220 C LYS A 80 -14.322 -7.946 12.582 1.00 0.00 C ATOM 1221 O LYS A 80 -14.857 -7.475 11.570 1.00 0.00 O ATOM 1222 CB LYS A 80 -16.295 -8.887 13.980 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.443 -8.681 12.956 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.380 -9.611 11.722 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.485 -9.371 10.674 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.822 -9.800 11.127 1.00 0.00 N ATOM 0 H LYS A 80 -16.410 -6.367 14.334 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.351 -8.344 14.687 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.929 -9.906 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.733 -8.823 14.976 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.396 -8.835 13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.427 -7.646 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.410 -9.488 11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.439 -10.645 12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.516 -8.310 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.230 -9.905 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.519 -9.612 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.807 -10.818 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.084 -9.273 11.984 1.00 0.00 H new ATOM 1240 N THR A 81 -13.085 -8.454 12.582 1.00 0.00 N ATOM 1241 CA THR A 81 -12.241 -8.567 11.362 1.00 0.00 C ATOM 1242 C THR A 81 -11.135 -9.636 11.614 1.00 0.00 C ATOM 1243 O THR A 81 -10.497 -9.670 12.674 1.00 0.00 O ATOM 1244 CB THR A 81 -11.675 -7.199 10.851 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.977 -7.397 9.624 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.750 -6.427 11.809 1.00 0.00 C ATOM 0 H THR A 81 -12.629 -8.803 13.425 1.00 0.00 H new ATOM 0 HA THR A 81 -12.874 -8.898 10.539 1.00 0.00 H new ATOM 0 HB THR A 81 -12.563 -6.577 10.744 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.049 -7.099 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.428 -5.500 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.289 -6.197 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.877 -7.037 12.043 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.871 -10.459 10.581 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.705 -11.388 10.556 1.00 0.00 C ATOM 1256 C VAL A 82 -8.438 -10.540 10.226 1.00 0.00 C ATOM 1257 O VAL A 82 -8.386 -9.867 9.189 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.912 -12.566 9.538 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.699 -13.526 9.494 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.172 -13.423 9.815 1.00 0.00 C ATOM 0 H VAL A 82 -11.450 -10.505 9.742 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.588 -11.868 11.527 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.034 -12.058 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.891 -14.323 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.809 -12.974 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.541 -13.959 10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.245 -14.215 9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.100 -13.865 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.060 -12.793 9.762 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.423 -10.609 11.109 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.126 -9.907 10.888 1.00 0.00 C ATOM 1272 C VAL A 83 -5.136 -11.004 10.405 1.00 0.00 C ATOM 1273 O VAL A 83 -4.439 -11.629 11.208 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.649 -9.113 12.154 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.347 -8.318 11.889 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.694 -8.138 12.747 1.00 0.00 C ATOM 0 H VAL A 83 -7.467 -11.138 11.980 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.209 -9.124 10.135 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.478 -9.900 12.889 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.056 -7.785 12.794 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.552 -9.007 11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.515 -7.602 11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.271 -7.637 13.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.965 -7.395 11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.583 -8.694 13.045 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.108 -11.249 9.082 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.395 -12.402 8.494 1.00 0.00 C ATOM 1288 C GLN A 84 -2.915 -12.025 8.226 1.00 0.00 C ATOM 1289 O GLN A 84 -2.625 -11.131 7.423 1.00 0.00 O ATOM 1290 CB GLN A 84 -5.153 -12.828 7.204 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.679 -14.145 6.552 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.023 -15.421 7.344 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -6.128 -15.953 7.245 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.095 -15.932 8.138 1.00 0.00 N ATOM 0 H GLN A 84 -5.575 -10.659 8.393 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.378 -13.251 9.178 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.212 -12.923 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.062 -12.027 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.121 -14.221 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.598 -14.099 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.183 -15.482 8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.292 -16.776 8.676 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.991 -12.745 8.889 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.535 -12.551 8.691 1.00 0.00 C ATOM 1305 C LEU A 85 -0.077 -13.220 7.364 1.00 0.00 C ATOM 1306 O LEU A 85 -0.196 -14.434 7.172 1.00 0.00 O ATOM 1307 CB LEU A 85 0.237 -13.056 9.941 1.00 0.00 C ATOM 1308 CG LEU A 85 1.791 -12.957 9.920 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.338 -11.580 9.501 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.375 -13.358 11.285 1.00 0.00 C ATOM 0 H LEU A 85 -2.224 -13.469 9.569 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.306 -11.490 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.123 -12.498 10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.031 -14.100 10.101 1.00 0.00 H new ATOM 0 HG LEU A 85 2.113 -13.656 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.428 -11.602 9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.992 -11.342 8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.982 -10.820 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.462 -13.283 11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.988 -12.692 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.089 -14.384 11.516 1.00 0.00 H new ATOM 1322 N GLU A 86 0.444 -12.365 6.474 1.00 0.00 N ATOM 1323 CA GLU A 86 0.973 -12.757 5.150 1.00 0.00 C ATOM 1324 C GLU A 86 2.522 -12.782 5.206 1.00 0.00 C ATOM 1325 O GLU A 86 3.178 -11.858 5.702 1.00 0.00 O ATOM 1326 CB GLU A 86 0.452 -11.753 4.093 1.00 0.00 C ATOM 1327 CG GLU A 86 0.731 -12.111 2.619 1.00 0.00 C ATOM 1328 CD GLU A 86 0.229 -11.032 1.654 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -0.988 -10.997 1.365 1.00 0.00 O ATOM 1330 OE2 GLU A 86 1.047 -10.210 1.186 1.00 0.00 O ATOM 0 H GLU A 86 0.513 -11.363 6.652 1.00 0.00 H new ATOM 0 HA GLU A 86 0.634 -13.755 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.625 -11.648 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.895 -10.778 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.803 -12.251 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.251 -13.060 2.381 1.00 0.00 H new ATOM 1337 N GLY A 87 3.069 -13.873 4.659 1.00 0.00 N ATOM 1338 CA GLY A 87 4.529 -14.090 4.562 1.00 0.00 C ATOM 1339 C GLY A 87 5.187 -14.423 5.917 1.00 0.00 C ATOM 1340 O GLY A 87 5.077 -15.550 6.407 1.00 0.00 O ATOM 0 H GLY A 87 2.516 -14.636 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.723 -14.903 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.996 -13.196 4.149 1.00 0.00 H new ATOM 1344 N ASP A 88 5.853 -13.413 6.498 1.00 0.00 N ATOM 1345 CA ASP A 88 6.454 -13.494 7.864 1.00 0.00 C ATOM 1346 C ASP A 88 6.223 -12.219 8.729 1.00 0.00 C ATOM 1347 O ASP A 88 6.046 -12.345 9.944 1.00 0.00 O ATOM 1348 CB ASP A 88 7.972 -13.841 7.823 1.00 0.00 C ATOM 1349 CG ASP A 88 8.312 -15.250 7.317 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.235 -16.213 8.110 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.649 -15.397 6.121 1.00 0.00 O ATOM 0 H ASP A 88 5.997 -12.511 6.044 1.00 0.00 H new ATOM 0 HA ASP A 88 5.920 -14.312 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.477 -13.113 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.381 -13.725 8.827 1.00 0.00 H new ATOM 1356 N ASN A 89 6.271 -11.014 8.129 1.00 0.00 N ATOM 1357 CA ASN A 89 6.145 -9.719 8.847 1.00 0.00 C ATOM 1358 C ASN A 89 5.282 -8.676 8.063 1.00 0.00 C ATOM 1359 O ASN A 89 5.707 -7.537 7.845 1.00 0.00 O ATOM 1360 CB ASN A 89 7.561 -9.232 9.271 1.00 0.00 C ATOM 1361 CG ASN A 89 8.580 -8.804 8.186 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.339 -8.866 6.980 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.752 -8.359 8.607 1.00 0.00 N ATOM 0 H ASN A 89 6.399 -10.905 7.123 1.00 0.00 H new ATOM 0 HA ASN A 89 5.574 -9.859 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.427 -8.385 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.020 -10.032 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.459 -8.066 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.949 -8.309 9.606 1.00 0.00 H new ATOM 1370 N LYS A 90 4.046 -9.060 7.680 1.00 0.00 N ATOM 1371 CA LYS A 90 3.091 -8.166 6.973 1.00 0.00 C ATOM 1372 C LYS A 90 1.646 -8.555 7.392 1.00 0.00 C ATOM 1373 O LYS A 90 1.066 -9.501 6.853 1.00 0.00 O ATOM 1374 CB LYS A 90 3.308 -8.254 5.435 1.00 0.00 C ATOM 1375 CG LYS A 90 2.577 -7.161 4.621 1.00 0.00 C ATOM 1376 CD LYS A 90 2.144 -7.639 3.218 1.00 0.00 C ATOM 1377 CE LYS A 90 1.376 -6.605 2.376 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.218 -5.483 1.918 1.00 0.00 N ATOM 0 H LYS A 90 3.678 -9.996 7.850 1.00 0.00 H new ATOM 0 HA LYS A 90 3.261 -7.126 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.376 -8.191 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.973 -9.232 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.697 -6.832 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.231 -6.295 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.033 -7.943 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.520 -8.526 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.943 -7.103 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.547 -6.211 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.818 -4.586 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.182 -5.597 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.248 -5.473 0.878 1.00 0.00 H new ATOM 1392 N LEU A 91 1.055 -7.792 8.327 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.351 -7.999 8.781 1.00 0.00 C ATOM 1394 C LEU A 91 -1.334 -7.291 7.807 1.00 0.00 C ATOM 1395 O LEU A 91 -1.106 -6.146 7.404 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.535 -7.447 10.220 1.00 0.00 C ATOM 1397 CG LEU A 91 0.268 -8.160 11.346 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.415 -7.245 12.574 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.325 -9.527 11.736 1.00 0.00 C ATOM 0 H LEU A 91 1.526 -7.017 8.793 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.566 -9.067 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.258 -6.393 10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.594 -7.498 10.472 1.00 0.00 H new ATOM 0 HG LEU A 91 1.260 -8.364 10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.980 -7.764 13.349 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.942 -6.335 12.289 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.573 -6.987 12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.279 -9.974 12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.346 -9.392 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.328 -10.184 10.866 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.414 -7.996 7.426 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.364 -7.529 6.375 1.00 0.00 C ATOM 1413 C VAL A 92 -4.790 -7.619 6.998 1.00 0.00 C ATOM 1414 O VAL A 92 -5.293 -8.714 7.273 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.208 -8.343 5.041 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.180 -7.863 3.935 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.776 -8.315 4.450 1.00 0.00 C ATOM 0 H VAL A 92 -2.660 -8.900 7.829 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.157 -6.500 6.080 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.446 -9.364 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.030 -8.459 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.208 -7.978 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.987 -6.814 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.750 -8.900 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.492 -7.285 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.077 -8.741 5.170 1.00 0.00 H new ATOM 1427 N THR A 93 -5.433 -6.452 7.189 1.00 0.00 N ATOM 1428 CA THR A 93 -6.821 -6.352 7.729 1.00 0.00 C ATOM 1429 C THR A 93 -7.611 -5.204 7.033 1.00 0.00 C ATOM 1430 O THR A 93 -7.044 -4.327 6.373 1.00 0.00 O ATOM 1431 CB THR A 93 -6.794 -6.264 9.290 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.085 -6.569 9.805 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.327 -4.936 9.913 1.00 0.00 C ATOM 0 H THR A 93 -5.014 -5.547 6.976 1.00 0.00 H new ATOM 0 HA THR A 93 -7.372 -7.262 7.491 1.00 0.00 H new ATOM 0 HB THR A 93 -6.032 -6.990 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.224 -6.085 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.357 -5.013 11.000 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.307 -4.723 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.985 -4.130 9.588 1.00 0.00 H new ATOM 1441 N THR A 94 -8.948 -5.223 7.204 1.00 0.00 N ATOM 1442 CA THR A 94 -9.851 -4.168 6.674 1.00 0.00 C ATOM 1443 C THR A 94 -11.085 -4.022 7.616 1.00 0.00 C ATOM 1444 O THR A 94 -11.762 -5.003 7.941 1.00 0.00 O ATOM 1445 CB THR A 94 -10.192 -4.372 5.167 1.00 0.00 C ATOM 1446 OG1 THR A 94 -11.010 -3.299 4.709 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.861 -5.708 4.794 1.00 0.00 C ATOM 0 H THR A 94 -9.435 -5.963 7.709 1.00 0.00 H new ATOM 0 HA THR A 94 -9.334 -3.209 6.682 1.00 0.00 H new ATOM 0 HB THR A 94 -9.221 -4.392 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.221 -3.430 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.049 -5.733 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.203 -6.533 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.805 -5.804 5.330 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.357 -2.774 8.042 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.433 -2.450 9.020 1.00 0.00 C ATOM 1457 C PHE A 95 -13.000 -1.034 8.713 1.00 0.00 C ATOM 1458 O PHE A 95 -12.251 -0.053 8.642 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.972 -2.603 10.504 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.724 -1.821 10.976 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.840 -0.505 11.441 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.460 -2.420 10.930 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.707 0.205 11.833 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.330 -1.714 11.336 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.455 -0.401 11.785 1.00 0.00 C ATOM 0 H PHE A 95 -10.840 -1.955 7.722 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.234 -3.179 8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.806 -2.311 11.142 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.787 -3.662 10.686 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.812 -0.038 11.496 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.360 -3.436 10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.800 1.225 12.174 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.358 -2.184 11.303 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.578 0.148 12.096 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.336 -0.936 8.548 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.066 0.347 8.287 1.00 0.00 C ATOM 1477 C LYS A 96 -14.605 1.131 7.009 1.00 0.00 C ATOM 1478 O LYS A 96 -14.322 2.333 7.068 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.146 1.249 9.561 1.00 0.00 C ATOM 1480 CG LYS A 96 -15.679 0.651 10.886 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.187 0.322 10.956 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.582 -1.074 10.433 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.024 -1.323 10.597 1.00 0.00 N ATOM 0 H LYS A 96 -14.954 -1.746 8.591 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.083 0.039 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.143 1.630 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.771 2.107 9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.124 -0.264 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.448 1.351 11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.513 0.409 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.733 1.073 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.315 -1.158 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.017 -1.837 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.256 -2.270 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.274 -1.266 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.562 -0.609 10.067 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.514 0.435 5.853 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.880 0.943 4.602 1.00 0.00 C ATOM 1499 C ASN A 97 -12.452 1.581 4.761 1.00 0.00 C ATOM 1500 O ASN A 97 -12.204 2.704 4.311 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.916 1.786 3.797 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.695 1.751 2.276 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.121 0.821 1.591 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.016 2.736 1.719 1.00 0.00 N ATOM 0 H ASN A 97 -14.883 -0.511 5.755 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.621 0.075 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.919 1.420 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.872 2.820 4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.841 2.730 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.666 3.503 2.293 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.534 0.854 5.427 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.141 1.310 5.688 1.00 0.00 C ATOM 1513 C ILE A 98 -9.310 0.003 5.577 1.00 0.00 C ATOM 1514 O ILE A 98 -9.378 -0.833 6.484 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.924 1.989 7.095 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.845 3.206 7.410 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.444 2.405 7.300 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.987 3.531 8.908 1.00 0.00 C ATOM 0 H ILE A 98 -11.732 -0.073 5.804 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.854 2.092 4.985 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.209 1.208 7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.453 4.084 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.835 3.012 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.329 2.870 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.806 1.523 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.155 3.115 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.645 4.391 9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.410 2.672 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.006 3.761 9.325 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.471 -0.141 4.531 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.467 -1.237 4.482 1.00 0.00 C ATOM 1532 C LYS A 99 -6.209 -0.799 5.290 1.00 0.00 C ATOM 1533 O LYS A 99 -5.506 0.145 4.916 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.119 -1.646 3.030 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.384 -3.009 2.958 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.686 -3.311 1.624 1.00 0.00 C ATOM 1537 CE LYS A 99 -6.638 -3.555 0.438 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.894 -3.885 -0.790 1.00 0.00 N ATOM 0 H LYS A 99 -8.463 0.475 3.718 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.890 -2.131 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.035 -1.699 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.494 -0.875 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.640 -3.044 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.104 -3.802 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.028 -2.478 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.054 -4.190 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.322 -4.368 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.246 -2.666 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.564 -4.043 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.259 -3.098 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.333 -4.747 -0.635 1.00 0.00 H new ATOM 1552 N SER A 100 -5.972 -1.507 6.403 1.00 0.00 N ATOM 1553 CA SER A 100 -4.896 -1.185 7.374 1.00 0.00 C ATOM 1554 C SER A 100 -3.802 -2.275 7.266 1.00 0.00 C ATOM 1555 O SER A 100 -4.020 -3.429 7.653 1.00 0.00 O ATOM 1556 CB SER A 100 -5.490 -1.106 8.799 1.00 0.00 C ATOM 1557 OG SER A 100 -6.449 -0.058 8.904 1.00 0.00 O ATOM 0 H SER A 100 -6.521 -2.326 6.664 1.00 0.00 H new ATOM 0 HA SER A 100 -4.448 -0.216 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.958 -2.057 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.689 -0.942 9.520 1.00 0.00 H new ATOM 0 HG SER A 100 -7.049 -0.238 9.658 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.637 -1.897 6.708 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.532 -2.850 6.405 1.00 0.00 C ATOM 1565 C VAL A 101 -0.348 -2.455 7.323 1.00 0.00 C ATOM 1566 O VAL A 101 0.328 -1.454 7.074 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.164 -2.851 4.884 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.054 -3.745 4.545 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.343 -3.319 4.001 1.00 0.00 C ATOM 0 H VAL A 101 -2.427 -0.932 6.453 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.829 -3.879 6.608 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.914 -1.812 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.253 -3.698 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.928 -3.392 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.160 -4.775 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.042 -3.304 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.628 -4.333 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.192 -2.651 4.144 1.00 0.00 H new ATOM 1579 N THR A 102 -0.095 -3.280 8.352 1.00 0.00 N ATOM 1580 CA THR A 102 0.995 -3.039 9.336 1.00 0.00 C ATOM 1581 C THR A 102 2.201 -3.928 8.909 1.00 0.00 C ATOM 1582 O THR A 102 2.315 -5.080 9.340 1.00 0.00 O ATOM 1583 CB THR A 102 0.475 -3.310 10.783 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.694 -2.546 11.057 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.494 -2.975 11.879 1.00 0.00 C ATOM 0 H THR A 102 -0.631 -4.129 8.532 1.00 0.00 H new ATOM 0 HA THR A 102 1.329 -2.001 9.346 1.00 0.00 H new ATOM 0 HB THR A 102 0.272 -4.381 10.806 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.001 -2.734 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.061 -3.189 12.856 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.391 -3.579 11.739 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.756 -1.918 11.822 1.00 0.00 H new ATOM 1593 N GLU A 103 3.080 -3.382 8.046 1.00 0.00 N ATOM 1594 CA GLU A 103 4.267 -4.108 7.526 1.00 0.00 C ATOM 1595 C GLU A 103 5.522 -3.655 8.309 1.00 0.00 C ATOM 1596 O GLU A 103 5.848 -2.466 8.363 1.00 0.00 O ATOM 1597 CB GLU A 103 4.415 -3.867 5.999 1.00 0.00 C ATOM 1598 CG GLU A 103 5.533 -4.706 5.333 1.00 0.00 C ATOM 1599 CD GLU A 103 5.636 -4.501 3.819 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.991 -3.384 3.379 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.373 -5.459 3.060 1.00 0.00 O ATOM 0 H GLU A 103 2.993 -2.431 7.688 1.00 0.00 H new ATOM 0 HA GLU A 103 4.144 -5.181 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.466 -4.094 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.617 -2.810 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.489 -4.451 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.353 -5.762 5.537 1.00 0.00 H new ATOM 1608 N LEU A 104 6.256 -4.639 8.849 1.00 0.00 N ATOM 1609 CA LEU A 104 7.575 -4.405 9.491 1.00 0.00 C ATOM 1610 C LEU A 104 8.668 -4.371 8.385 1.00 0.00 C ATOM 1611 O LEU A 104 8.907 -5.378 7.709 1.00 0.00 O ATOM 1612 CB LEU A 104 7.839 -5.515 10.548 1.00 0.00 C ATOM 1613 CG LEU A 104 8.684 -5.133 11.790 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.718 -6.328 12.761 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.121 -4.676 11.479 1.00 0.00 C ATOM 0 H LEU A 104 5.962 -5.616 8.858 1.00 0.00 H new ATOM 0 HA LEU A 104 7.592 -3.448 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.874 -5.883 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.335 -6.346 10.046 1.00 0.00 H new ATOM 0 HG LEU A 104 8.194 -4.267 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.311 -6.068 13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.702 -6.575 13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.165 -7.189 12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.634 -4.430 12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.656 -5.478 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.092 -3.796 10.837 1.00 0.00 H new ATOM 1627 N ASN A 105 9.306 -3.202 8.207 1.00 0.00 N ATOM 1628 CA ASN A 105 10.378 -3.009 7.190 1.00 0.00 C ATOM 1629 C ASN A 105 11.747 -2.859 7.918 1.00 0.00 C ATOM 1630 O ASN A 105 12.284 -1.752 8.041 1.00 0.00 O ATOM 1631 CB ASN A 105 10.049 -1.808 6.258 1.00 0.00 C ATOM 1632 CG ASN A 105 8.839 -1.999 5.318 1.00 0.00 C ATOM 1633 OD1 ASN A 105 8.959 -2.507 4.204 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.659 -1.598 5.756 1.00 0.00 N ATOM 0 H ASN A 105 9.103 -2.365 8.754 1.00 0.00 H new ATOM 0 HA ASN A 105 10.439 -3.882 6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.868 -0.930 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.928 -1.593 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.833 -1.708 5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.574 -1.178 6.682 1.00 0.00 H new ATOM 1641 N GLY A 106 12.301 -3.991 8.402 1.00 0.00 N ATOM 1642 CA GLY A 106 13.607 -4.014 9.104 1.00 0.00 C ATOM 1643 C GLY A 106 13.500 -3.648 10.597 1.00 0.00 C ATOM 1644 O GLY A 106 13.298 -4.520 11.446 1.00 0.00 O ATOM 0 H GLY A 106 11.862 -4.908 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.045 -5.008 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.288 -3.318 8.614 1.00 0.00 H new ATOM 1648 N ASP A 107 13.622 -2.343 10.879 1.00 0.00 N ATOM 1649 CA ASP A 107 13.269 -1.740 12.200 1.00 0.00 C ATOM 1650 C ASP A 107 11.992 -0.834 12.157 1.00 0.00 C ATOM 1651 O ASP A 107 11.299 -0.737 13.175 1.00 0.00 O ATOM 1652 CB ASP A 107 14.473 -0.933 12.762 1.00 0.00 C ATOM 1653 CG ASP A 107 15.699 -1.761 13.184 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.555 -2.681 14.018 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.812 -1.486 12.686 1.00 0.00 O ATOM 0 H ASP A 107 13.969 -1.662 10.203 1.00 0.00 H new ATOM 0 HA ASP A 107 13.034 -2.574 12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.788 -0.213 12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.131 -0.361 13.624 1.00 0.00 H new ATOM 1660 N ILE A 108 11.694 -0.158 11.024 1.00 0.00 N ATOM 1661 CA ILE A 108 10.606 0.847 10.911 1.00 0.00 C ATOM 1662 C ILE A 108 9.289 0.088 10.551 1.00 0.00 C ATOM 1663 O ILE A 108 9.157 -0.458 9.453 1.00 0.00 O ATOM 1664 CB ILE A 108 10.991 1.978 9.884 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.240 2.837 10.271 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.820 2.966 9.647 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.616 2.247 9.925 1.00 0.00 C ATOM 0 H ILE A 108 12.206 -0.294 10.152 1.00 0.00 H new ATOM 0 HA ILE A 108 10.449 1.368 11.856 1.00 0.00 H new ATOM 0 HB ILE A 108 11.234 1.413 8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.152 3.806 9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.208 3.020 11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.127 3.730 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.961 2.424 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.547 3.440 10.590 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.398 2.936 10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.742 1.293 10.437 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.685 2.092 8.848 1.00 0.00 H new ATOM 1679 N ILE A 109 8.314 0.117 11.478 1.00 0.00 N ATOM 1680 CA ILE A 109 6.959 -0.464 11.272 1.00 0.00 C ATOM 1681 C ILE A 109 6.043 0.613 10.606 1.00 0.00 C ATOM 1682 O ILE A 109 5.814 1.693 11.162 1.00 0.00 O ATOM 1683 CB ILE A 109 6.420 -1.087 12.609 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.240 -2.065 12.350 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.076 -0.055 13.712 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.712 -2.768 13.608 1.00 0.00 C ATOM 0 H ILE A 109 8.436 0.544 12.396 1.00 0.00 H new ATOM 0 HA ILE A 109 6.983 -1.304 10.578 1.00 0.00 H new ATOM 0 HB ILE A 109 7.258 -1.657 13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.422 -1.514 11.886 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.561 -2.821 11.634 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.712 -0.576 14.597 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.969 0.515 13.968 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.305 0.623 13.348 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.891 -3.431 13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.513 -3.350 14.063 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.357 -2.022 14.319 1.00 0.00 H new ATOM 1698 N THR A 110 5.556 0.300 9.396 1.00 0.00 N ATOM 1699 CA THR A 110 4.814 1.258 8.533 1.00 0.00 C ATOM 1700 C THR A 110 3.339 0.774 8.462 1.00 0.00 C ATOM 1701 O THR A 110 3.038 -0.225 7.800 1.00 0.00 O ATOM 1702 CB THR A 110 5.506 1.352 7.139 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.884 1.694 7.288 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.883 2.406 6.210 1.00 0.00 C ATOM 0 H THR A 110 5.661 -0.625 8.979 1.00 0.00 H new ATOM 0 HA THR A 110 4.821 2.269 8.939 1.00 0.00 H new ATOM 0 HB THR A 110 5.374 0.367 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.305 1.748 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.416 2.414 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.835 2.163 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.956 3.389 6.675 1.00 0.00 H new ATOM 1712 N ASN A 111 2.433 1.507 9.137 1.00 0.00 N ATOM 1713 CA ASN A 111 0.975 1.214 9.125 1.00 0.00 C ATOM 1714 C ASN A 111 0.292 2.179 8.121 1.00 0.00 C ATOM 1715 O ASN A 111 0.021 3.344 8.423 1.00 0.00 O ATOM 1716 CB ASN A 111 0.440 1.243 10.587 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.088 1.214 10.805 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.651 2.115 11.426 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.788 0.202 10.316 1.00 0.00 N ATOM 0 H ASN A 111 2.683 2.316 9.705 1.00 0.00 H new ATOM 0 HA ASN A 111 0.740 0.212 8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.868 0.391 11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.828 2.142 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.798 0.167 10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.317 -0.543 9.802 1.00 0.00 H new ATOM 1726 N THR A 112 0.021 1.637 6.920 1.00 0.00 N ATOM 1727 CA THR A 112 -0.553 2.394 5.783 1.00 0.00 C ATOM 1728 C THR A 112 -2.092 2.159 5.792 1.00 0.00 C ATOM 1729 O THR A 112 -2.582 1.116 5.345 1.00 0.00 O ATOM 1730 CB THR A 112 0.164 1.943 4.476 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.573 2.137 4.587 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.284 2.721 3.233 1.00 0.00 C ATOM 0 H THR A 112 0.194 0.655 6.705 1.00 0.00 H new ATOM 0 HA THR A 112 -0.394 3.470 5.858 1.00 0.00 H new ATOM 0 HB THR A 112 -0.101 0.892 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.009 1.847 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.256 2.354 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.354 2.581 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.073 3.781 3.372 1.00 0.00 H new ATOM 1740 N MET A 113 -2.827 3.147 6.331 1.00 0.00 N ATOM 1741 CA MET A 113 -4.298 3.068 6.528 1.00 0.00 C ATOM 1742 C MET A 113 -4.967 3.962 5.456 1.00 0.00 C ATOM 1743 O MET A 113 -4.872 5.193 5.519 1.00 0.00 O ATOM 1744 CB MET A 113 -4.698 3.533 7.952 1.00 0.00 C ATOM 1745 CG MET A 113 -4.107 2.740 9.130 1.00 0.00 C ATOM 1746 SD MET A 113 -4.568 3.500 10.705 1.00 0.00 S ATOM 1747 CE MET A 113 -6.247 2.891 10.955 1.00 0.00 C ATOM 0 H MET A 113 -2.423 4.029 6.646 1.00 0.00 H new ATOM 0 HA MET A 113 -4.630 2.035 6.424 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.405 4.577 8.064 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.785 3.497 8.029 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.465 1.711 9.098 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.021 2.703 9.042 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.642 3.287 11.890 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.879 3.215 10.128 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.236 1.802 10.998 1.00 0.00 H new ATOM 1757 N THR A 114 -5.618 3.333 4.464 1.00 0.00 N ATOM 1758 CA THR A 114 -6.176 4.045 3.285 1.00 0.00 C ATOM 1759 C THR A 114 -7.726 3.948 3.300 1.00 0.00 C ATOM 1760 O THR A 114 -8.299 2.876 3.081 1.00 0.00 O ATOM 1761 CB THR A 114 -5.489 3.577 1.969 1.00 0.00 C ATOM 1762 OG1 THR A 114 -5.973 4.363 0.884 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.616 2.089 1.581 1.00 0.00 C ATOM 0 H THR A 114 -5.776 2.325 4.449 1.00 0.00 H new ATOM 0 HA THR A 114 -5.947 5.109 3.339 1.00 0.00 H new ATOM 0 HB THR A 114 -4.428 3.715 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.542 4.074 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.089 1.911 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.181 1.470 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.669 1.833 1.459 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.387 5.099 3.517 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.861 5.244 3.325 1.00 0.00 C ATOM 1773 C LEU A 115 -10.384 5.248 1.849 1.00 0.00 C ATOM 1774 O LEU A 115 -11.564 4.957 1.636 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.410 6.408 4.199 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.937 7.861 3.904 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.645 8.503 2.697 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -10.138 8.770 5.131 1.00 0.00 C ATOM 0 H LEU A 115 -7.928 5.955 3.828 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.290 4.309 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -11.497 6.394 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.162 6.186 5.237 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.877 7.774 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.267 9.515 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.452 7.909 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.718 8.541 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.799 9.779 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.195 8.795 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.563 8.380 5.971 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.539 5.595 0.858 1.00 0.00 N ATOM 1791 CA GLY A 116 -9.971 5.820 -0.534 1.00 0.00 C ATOM 1792 C GLY A 116 -8.959 6.747 -1.225 1.00 0.00 C ATOM 1793 O GLY A 116 -8.003 6.270 -1.843 1.00 0.00 O ATOM 0 H GLY A 116 -8.538 5.727 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.038 4.871 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.965 6.266 -0.553 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.168 8.068 -1.080 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.193 9.103 -1.531 1.00 0.00 C ATOM 1799 C ASP A 117 -7.033 9.406 -0.526 1.00 0.00 C ATOM 1800 O ASP A 117 -5.907 9.647 -0.972 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.934 10.387 -2.004 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.673 11.234 -0.948 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -10.630 10.730 -0.318 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -9.295 12.410 -0.748 1.00 0.00 O ATOM 0 H ASP A 117 -10.008 8.456 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.675 8.669 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.204 11.030 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.660 10.092 -2.762 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.301 9.421 0.799 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.314 9.835 1.836 1.00 0.00 C ATOM 1811 C ILE A 118 -5.549 8.559 2.299 1.00 0.00 C ATOM 1812 O ILE A 118 -6.157 7.582 2.750 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.026 10.603 3.009 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -7.696 11.935 2.544 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.060 10.896 4.190 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -8.773 12.498 3.482 1.00 0.00 C ATOM 0 H ILE A 118 -8.205 9.148 1.185 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.589 10.542 1.433 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.811 9.930 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.918 12.688 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.143 11.773 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.597 11.428 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.674 9.957 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.231 11.510 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.172 13.423 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.578 11.771 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.335 12.701 4.459 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.208 8.626 2.215 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.305 7.527 2.652 1.00 0.00 C ATOM 1830 C VAL A 119 -2.567 8.056 3.921 1.00 0.00 C ATOM 1831 O VAL A 119 -1.654 8.885 3.827 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.343 7.086 1.491 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.360 5.974 1.924 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.081 6.587 0.224 1.00 0.00 C ATOM 0 H VAL A 119 -3.714 9.438 1.845 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.851 6.618 2.902 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.799 7.999 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.719 5.707 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.745 6.333 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.922 5.097 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.351 6.300 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.698 5.725 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.714 7.384 -0.166 1.00 0.00 H new ATOM 1844 N PHE A 120 -2.957 7.531 5.097 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.269 7.803 6.386 1.00 0.00 C ATOM 1846 C PHE A 120 -1.091 6.808 6.574 1.00 0.00 C ATOM 1847 O PHE A 120 -1.294 5.670 7.006 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.321 7.769 7.531 1.00 0.00 C ATOM 1849 CG PHE A 120 -2.833 7.795 8.999 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -1.963 8.790 9.453 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.287 6.827 9.905 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -1.566 8.824 10.785 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -2.873 6.851 11.234 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.016 7.854 11.674 1.00 0.00 C ATOM 0 H PHE A 120 -3.757 6.905 5.187 1.00 0.00 H new ATOM 0 HA PHE A 120 -1.821 8.797 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -3.988 8.620 7.391 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -3.921 6.869 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.597 9.537 8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.964 6.055 9.569 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -0.906 9.606 11.130 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.217 6.092 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.700 7.880 12.706 1.00 0.00 H new ATOM 1864 N LYS A 121 0.136 7.270 6.271 1.00 0.00 N ATOM 1865 CA LYS A 121 1.367 6.450 6.410 1.00 0.00 C ATOM 1866 C LYS A 121 2.050 6.801 7.763 1.00 0.00 C ATOM 1867 O LYS A 121 2.636 7.874 7.933 1.00 0.00 O ATOM 1868 CB LYS A 121 2.265 6.671 5.166 1.00 0.00 C ATOM 1869 CG LYS A 121 3.422 5.654 5.039 1.00 0.00 C ATOM 1870 CD LYS A 121 4.280 5.804 3.767 1.00 0.00 C ATOM 1871 CE LYS A 121 3.575 5.342 2.476 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.466 5.445 1.307 1.00 0.00 N ATOM 0 H LYS A 121 0.308 8.214 5.925 1.00 0.00 H new ATOM 0 HA LYS A 121 1.147 5.383 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.647 6.617 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.682 7.677 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.070 5.752 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.006 4.647 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.568 6.849 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.199 5.231 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.242 4.310 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.684 5.948 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.960 5.126 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.763 6.434 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.304 4.847 1.456 1.00 0.00 H new ATOM 1886 N ARG A 122 1.935 5.864 8.718 1.00 0.00 N ATOM 1887 CA ARG A 122 2.363 6.052 10.124 1.00 0.00 C ATOM 1888 C ARG A 122 3.739 5.345 10.307 1.00 0.00 C ATOM 1889 O ARG A 122 3.819 4.116 10.402 1.00 0.00 O ATOM 1890 CB ARG A 122 1.206 5.445 10.969 1.00 0.00 C ATOM 1891 CG ARG A 122 1.382 5.634 12.478 1.00 0.00 C ATOM 1892 CD ARG A 122 0.279 4.993 13.342 1.00 0.00 C ATOM 1893 NE ARG A 122 0.532 5.233 14.786 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.421 4.547 15.535 1.00 0.00 C ATOM 1895 NH1 ARG A 122 2.082 3.472 15.108 1.00 0.00 N ATOM 1896 NH2 ARG A 122 1.655 4.971 16.762 1.00 0.00 N ATOM 0 H ARG A 122 1.538 4.942 8.539 1.00 0.00 H new ATOM 0 HA ARG A 122 2.522 7.086 10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.265 5.902 10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.129 4.380 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.344 5.215 12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.419 6.702 12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.691 5.405 13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.237 3.921 13.149 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.005 5.969 15.245 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.929 3.121 14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.741 3.000 15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.170 5.794 17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.321 4.475 17.355 1.00 0.00 H new ATOM 1910 N ILE A 123 4.815 6.149 10.320 1.00 0.00 N ATOM 1911 CA ILE A 123 6.213 5.657 10.137 1.00 0.00 C ATOM 1912 C ILE A 123 6.864 5.637 11.553 1.00 0.00 C ATOM 1913 O ILE A 123 7.174 6.696 12.103 1.00 0.00 O ATOM 1914 CB ILE A 123 6.956 6.574 9.093 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.282 6.584 7.683 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.452 6.214 8.927 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.712 7.714 6.734 1.00 0.00 C ATOM 0 H ILE A 123 4.753 7.158 10.457 1.00 0.00 H new ATOM 0 HA ILE A 123 6.266 4.650 9.724 1.00 0.00 H new ATOM 0 HB ILE A 123 6.877 7.573 9.522 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.490 5.631 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.202 6.643 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.908 6.881 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.961 6.324 9.884 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.542 5.183 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.179 7.618 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.478 8.678 7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.785 7.649 6.554 1.00 0.00 H new ATOM 1929 N SER A 124 7.052 4.435 12.130 1.00 0.00 N ATOM 1930 CA SER A 124 7.402 4.267 13.567 1.00 0.00 C ATOM 1931 C SER A 124 8.706 3.439 13.721 1.00 0.00 C ATOM 1932 O SER A 124 8.709 2.224 13.517 1.00 0.00 O ATOM 1933 CB SER A 124 6.211 3.587 14.290 1.00 0.00 C ATOM 1934 OG SER A 124 5.102 4.466 14.409 1.00 0.00 O ATOM 0 H SER A 124 6.968 3.554 11.623 1.00 0.00 H new ATOM 0 HA SER A 124 7.587 5.241 14.020 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.912 2.695 13.740 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.525 3.260 15.281 1.00 0.00 H new ATOM 0 HG SER A 124 4.593 4.243 15.216 1.00 0.00 H new ATOM 1940 N LYS A 125 9.811 4.094 14.121 1.00 0.00 N ATOM 1941 CA LYS A 125 11.111 3.416 14.384 1.00 0.00 C ATOM 1942 C LYS A 125 11.176 2.862 15.839 1.00 0.00 C ATOM 1943 O LYS A 125 10.671 3.478 16.783 1.00 0.00 O ATOM 1944 CB LYS A 125 12.258 4.418 14.070 1.00 0.00 C ATOM 1945 CG LYS A 125 13.671 3.791 14.014 1.00 0.00 C ATOM 1946 CD LYS A 125 14.758 4.790 13.575 1.00 0.00 C ATOM 1947 CE LYS A 125 16.150 4.139 13.490 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.176 5.116 13.085 1.00 0.00 N ATOM 0 H LYS A 125 9.837 5.102 14.273 1.00 0.00 H new ATOM 0 HA LYS A 125 11.220 2.547 13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.051 4.897 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.254 5.202 14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.926 3.395 14.997 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.661 2.948 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.494 5.206 12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.790 5.621 14.280 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.414 3.712 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.126 3.317 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.103 4.646 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.936 5.505 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.215 5.888 13.781 1.00 0.00 H new ATOM 1962 N ARG A 126 11.846 1.703 16.005 1.00 0.00 N ATOM 1963 CA ARG A 126 12.042 1.041 17.328 1.00 0.00 C ATOM 1964 C ARG A 126 12.827 1.889 18.377 1.00 0.00 C ATOM 1965 O ARG A 126 13.668 2.723 18.020 1.00 0.00 O ATOM 1966 CB ARG A 126 12.653 -0.377 17.115 1.00 0.00 C ATOM 1967 CG ARG A 126 14.092 -0.484 16.548 1.00 0.00 C ATOM 1968 CD ARG A 126 15.230 -0.440 17.590 1.00 0.00 C ATOM 1969 NE ARG A 126 16.561 -0.375 16.937 1.00 0.00 N ATOM 1970 CZ ARG A 126 17.369 -1.431 16.709 1.00 0.00 C ATOM 1971 NH1 ARG A 126 17.084 -2.681 17.066 1.00 0.00 N ATOM 1972 NH2 ARG A 126 18.514 -1.210 16.089 1.00 0.00 N ATOM 0 H ARG A 126 12.270 1.193 15.230 1.00 0.00 H new ATOM 0 HA ARG A 126 11.056 0.941 17.781 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.635 -0.893 18.075 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.991 -0.926 16.446 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.173 -1.416 15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.244 0.329 15.838 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.098 0.427 18.238 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.178 -1.324 18.225 1.00 0.00 H new ATOM 0 HE ARG A 126 16.892 0.542 16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.207 -2.887 17.544 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.743 -3.433 16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.763 -0.264 15.799 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.150 -1.985 15.900 1.00 0.00 H new ATOM 1986 N ILE A 127 12.562 1.628 19.672 1.00 0.00 N ATOM 1987 CA ILE A 127 13.283 2.276 20.803 1.00 0.00 C ATOM 1988 C ILE A 127 14.476 1.349 21.137 1.00 0.00 C ATOM 1989 O ILE A 127 14.325 0.265 21.705 1.00 0.00 O ATOM 1990 CB ILE A 127 12.337 2.589 22.021 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.152 3.533 21.648 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.116 3.191 23.223 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.015 3.614 22.681 1.00 0.00 C ATOM 0 H ILE A 127 11.846 0.966 19.971 1.00 0.00 H new ATOM 0 HA ILE A 127 13.655 3.264 20.530 1.00 0.00 H new ATOM 0 HB ILE A 127 11.920 1.625 22.312 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.547 4.537 21.490 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.733 3.202 20.698 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.424 3.392 24.041 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.876 2.483 23.555 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.595 4.121 22.917 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.245 4.297 22.322 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.583 2.624 22.825 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.410 3.979 23.629 1.00 0.00 H new TER 2005 ILE A 127