USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0726 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.706 USER MOD Single : A 8 GLN : amide:sc= -4.23! C(o=-4.2!,f=-6.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.28! C(o=-3.3!,f=-5.6!) USER MOD Single : A 15 SER OG : rot -57:sc= 0.0317 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -5.1! K(o=-5.1!,f=-2.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc=0.000992 USER MOD Single : A 34 THR OG1 : rot 42:sc= 0.0132 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -167:sc= -1.84 USER MOD Single : A 38 MET CE :methyl -174:sc= -4.41! (180deg=-4.81!) USER MOD Single : A 46 THR OG1 : rot 113:sc= 1.21 USER MOD Single : A 47 MET CE :methyl 162:sc= -0.0775 (180deg=-0.498) USER MOD Single : A 55 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.15) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 57 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.07! K(o=-2.1!,f=-0.67) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc=-0.00717 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0397) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.8!) USER MOD Single : A 86 THR OG1 : rot -22:sc= 0.444 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.00698 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.449 30.248 15.347 1.00 0.00 N ATOM 2 CA GLY A 1 -17.870 29.761 14.046 1.00 0.00 C ATOM 3 C GLY A 1 -18.587 30.821 13.234 1.00 0.00 C ATOM 4 O GLY A 1 -18.560 32.002 13.581 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.419 30.141 15.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.703 31.252 15.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.924 29.700 16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.998 29.412 13.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.528 28.902 14.179 1.00 0.00 H new ATOM 8 N SER A 2 -19.228 30.400 12.149 1.00 0.00 N ATOM 9 CA SER A 2 -19.951 31.323 11.281 1.00 0.00 C ATOM 10 C SER A 2 -21.219 30.675 10.734 1.00 0.00 C ATOM 11 O SER A 2 -21.309 29.452 10.630 1.00 0.00 O ATOM 12 CB SER A 2 -19.056 31.776 10.126 1.00 0.00 C ATOM 13 OG SER A 2 -19.793 31.873 8.919 1.00 0.00 O ATOM 0 H SER A 2 -19.262 29.426 11.849 1.00 0.00 H new ATOM 0 HA SER A 2 -20.236 32.193 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.612 32.743 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.235 31.070 9.999 1.00 0.00 H new ATOM 0 HG SER A 2 -19.200 32.166 8.196 1.00 0.00 H new ATOM 19 N SER A 3 -22.197 31.504 10.385 1.00 0.00 N ATOM 20 CA SER A 3 -23.462 31.013 9.852 1.00 0.00 C ATOM 21 C SER A 3 -23.559 31.278 8.353 1.00 0.00 C ATOM 22 O SER A 3 -22.601 31.729 7.727 1.00 0.00 O ATOM 23 CB SER A 3 -24.636 31.676 10.576 1.00 0.00 C ATOM 24 OG SER A 3 -24.201 32.782 11.347 1.00 0.00 O ATOM 0 H SER A 3 -22.138 32.519 10.462 1.00 0.00 H new ATOM 0 HA SER A 3 -23.504 29.936 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.377 32.005 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.126 30.948 11.223 1.00 0.00 H new ATOM 0 HG SER A 3 -24.970 33.189 11.798 1.00 0.00 H new ATOM 30 N GLY A 4 -24.726 30.994 7.782 1.00 0.00 N ATOM 31 CA GLY A 4 -24.929 31.208 6.361 1.00 0.00 C ATOM 32 C GLY A 4 -26.119 30.439 5.823 1.00 0.00 C ATOM 33 O GLY A 4 -27.258 30.896 5.923 1.00 0.00 O ATOM 0 H GLY A 4 -25.534 30.619 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.073 32.272 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.032 30.908 5.820 1.00 0.00 H new ATOM 37 N SER A 5 -25.856 29.270 5.249 1.00 0.00 N ATOM 38 CA SER A 5 -26.915 28.438 4.688 1.00 0.00 C ATOM 39 C SER A 5 -26.358 27.104 4.202 1.00 0.00 C ATOM 40 O SER A 5 -26.911 26.044 4.496 1.00 0.00 O ATOM 41 CB SER A 5 -27.606 29.166 3.534 1.00 0.00 C ATOM 42 OG SER A 5 -27.688 28.339 2.386 1.00 0.00 O ATOM 0 H SER A 5 -24.919 28.877 5.160 1.00 0.00 H new ATOM 0 HA SER A 5 -27.645 28.242 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.607 29.470 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.056 30.076 3.292 1.00 0.00 H new ATOM 0 HG SER A 5 -28.135 28.826 1.663 1.00 0.00 H new ATOM 48 N SER A 6 -25.259 27.165 3.457 1.00 0.00 N ATOM 49 CA SER A 6 -24.628 25.962 2.927 1.00 0.00 C ATOM 50 C SER A 6 -23.445 25.541 3.794 1.00 0.00 C ATOM 51 O SER A 6 -23.131 26.189 4.791 1.00 0.00 O ATOM 52 CB SER A 6 -24.162 26.197 1.488 1.00 0.00 C ATOM 53 OG SER A 6 -22.789 25.882 1.339 1.00 0.00 O ATOM 0 H SER A 6 -24.787 28.034 3.207 1.00 0.00 H new ATOM 0 HA SER A 6 -25.366 25.160 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.754 25.587 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.331 27.238 1.213 1.00 0.00 H new ATOM 0 HG SER A 6 -22.516 26.039 0.411 1.00 0.00 H new ATOM 59 N GLY A 7 -22.792 24.451 3.404 1.00 0.00 N ATOM 60 CA GLY A 7 -21.651 23.961 4.156 1.00 0.00 C ATOM 61 C GLY A 7 -20.427 23.758 3.285 1.00 0.00 C ATOM 62 O GLY A 7 -19.859 24.720 2.768 1.00 0.00 O ATOM 0 H GLY A 7 -23.032 23.898 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.414 24.667 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.913 23.017 4.635 1.00 0.00 H new ATOM 66 N GLN A 8 -20.019 22.503 3.124 1.00 0.00 N ATOM 67 CA GLN A 8 -18.852 22.179 2.312 1.00 0.00 C ATOM 68 C GLN A 8 -19.157 21.031 1.355 1.00 0.00 C ATOM 69 O GLN A 8 -20.092 20.255 1.555 1.00 0.00 O ATOM 70 CB GLN A 8 -17.668 21.810 3.207 1.00 0.00 C ATOM 71 CG GLN A 8 -17.165 20.391 2.997 1.00 0.00 C ATOM 72 CD GLN A 8 -18.204 19.345 3.350 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.225 19.651 3.966 1.00 0.00 O ATOM 74 NE2 GLN A 8 -17.948 18.101 2.961 1.00 0.00 N ATOM 0 H GLN A 8 -20.479 21.695 3.544 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.594 23.060 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.851 22.507 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.960 21.932 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.868 20.265 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.274 20.232 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.089 17.892 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.611 17.354 3.171 1.00 0.00 H new ATOM 83 N PRO A 9 -18.352 20.920 0.288 1.00 0.00 N ATOM 84 CA PRO A 9 -18.517 19.870 -0.722 1.00 0.00 C ATOM 85 C PRO A 9 -18.160 18.489 -0.186 1.00 0.00 C ATOM 86 O PRO A 9 -17.244 18.345 0.625 1.00 0.00 O ATOM 87 CB PRO A 9 -17.541 20.284 -1.827 1.00 0.00 C ATOM 88 CG PRO A 9 -16.506 21.099 -1.131 1.00 0.00 C ATOM 89 CD PRO A 9 -17.219 21.810 -0.015 1.00 0.00 C ATOM 0 HA PRO A 9 -19.551 19.786 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.099 19.413 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.043 20.861 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.707 20.467 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.045 21.811 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.573 21.947 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.557 22.800 -0.320 1.00 0.00 H new ATOM 97 N ILE A 10 -18.887 17.475 -0.644 1.00 0.00 N ATOM 98 CA ILE A 10 -18.644 16.105 -0.210 1.00 0.00 C ATOM 99 C ILE A 10 -17.159 15.763 -0.271 1.00 0.00 C ATOM 100 O ILE A 10 -16.400 16.377 -1.021 1.00 0.00 O ATOM 101 CB ILE A 10 -19.427 15.095 -1.070 1.00 0.00 C ATOM 102 CG1 ILE A 10 -20.301 14.206 -0.182 1.00 0.00 C ATOM 103 CG2 ILE A 10 -18.471 14.250 -1.898 1.00 0.00 C ATOM 104 CD1 ILE A 10 -20.463 12.798 -0.711 1.00 0.00 C ATOM 0 H ILE A 10 -19.648 17.577 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.988 16.036 0.822 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.076 15.646 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.865 14.163 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -21.285 14.663 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.040 13.541 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.888 14.897 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.799 13.705 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -21.094 12.225 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.927 12.831 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.485 12.323 -0.786 1.00 0.00 H new ATOM 116 N LYS A 11 -16.751 14.778 0.521 1.00 0.00 N ATOM 117 CA LYS A 11 -15.357 14.351 0.556 1.00 0.00 C ATOM 118 C LYS A 11 -15.196 12.968 -0.067 1.00 0.00 C ATOM 119 O LYS A 11 -16.181 12.277 -0.327 1.00 0.00 O ATOM 120 CB LYS A 11 -14.843 14.336 1.997 1.00 0.00 C ATOM 121 CG LYS A 11 -14.296 15.674 2.462 1.00 0.00 C ATOM 122 CD LYS A 11 -12.784 15.637 2.611 1.00 0.00 C ATOM 123 CE LYS A 11 -12.157 16.981 2.271 1.00 0.00 C ATOM 124 NZ LYS A 11 -10.827 16.823 1.619 1.00 0.00 N ATOM 0 H LYS A 11 -17.366 14.260 1.148 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.770 15.062 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.654 14.034 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.061 13.582 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.573 16.449 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.750 15.942 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.525 15.362 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.372 14.867 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.822 17.535 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.048 17.571 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.433 17.761 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.184 16.316 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.935 16.281 0.738 1.00 0.00 H new ATOM 138 N GLN A 12 -13.950 12.571 -0.301 1.00 0.00 N ATOM 139 CA GLN A 12 -13.662 11.270 -0.893 1.00 0.00 C ATOM 140 C GLN A 12 -13.424 10.221 0.189 1.00 0.00 C ATOM 141 O GLN A 12 -13.227 10.554 1.356 1.00 0.00 O ATOM 142 CB GLN A 12 -12.439 11.361 -1.808 1.00 0.00 C ATOM 143 CG GLN A 12 -11.386 12.342 -1.319 1.00 0.00 C ATOM 144 CD GLN A 12 -11.067 12.170 0.153 1.00 0.00 C ATOM 145 OE1 GLN A 12 -11.390 13.029 0.974 1.00 0.00 O ATOM 146 NE2 GLN A 12 -10.429 11.057 0.495 1.00 0.00 N ATOM 0 H GLN A 12 -13.124 13.131 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.527 10.968 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.989 10.372 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -12.763 11.656 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.474 12.211 -1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.734 13.360 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.181 10.372 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.187 10.887 1.471 1.00 0.00 H new ATOM 155 N GLU A 13 -13.447 8.952 -0.209 1.00 0.00 N ATOM 156 CA GLU A 13 -13.235 7.855 0.728 1.00 0.00 C ATOM 157 C GLU A 13 -12.064 6.981 0.287 1.00 0.00 C ATOM 158 O GLU A 13 -12.234 6.043 -0.492 1.00 0.00 O ATOM 159 CB GLU A 13 -14.502 7.006 0.848 1.00 0.00 C ATOM 160 CG GLU A 13 -15.689 7.573 0.087 1.00 0.00 C ATOM 161 CD GLU A 13 -16.978 6.828 0.377 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.025 6.097 1.389 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.939 6.977 -0.406 1.00 0.00 O ATOM 0 H GLU A 13 -13.610 8.659 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.999 8.284 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.292 6.001 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.768 6.912 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.815 8.624 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.483 7.532 -0.983 1.00 0.00 H new ATOM 170 N LEU A 14 -10.876 7.297 0.790 1.00 0.00 N ATOM 171 CA LEU A 14 -9.675 6.542 0.449 1.00 0.00 C ATOM 172 C LEU A 14 -9.857 5.060 0.761 1.00 0.00 C ATOM 173 O LEU A 14 -9.536 4.602 1.857 1.00 0.00 O ATOM 174 CB LEU A 14 -8.469 7.091 1.212 1.00 0.00 C ATOM 175 CG LEU A 14 -8.197 8.587 1.050 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.342 9.102 2.197 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.523 8.865 -0.286 1.00 0.00 C ATOM 0 H LEU A 14 -10.718 8.071 1.435 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.499 6.651 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.608 6.880 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.582 6.544 0.892 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.151 9.114 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.159 10.168 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.862 8.938 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.391 8.570 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.337 9.935 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.577 8.326 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.172 8.534 -1.097 1.00 0.00 H new ATOM 189 N SER A 15 -10.372 4.314 -0.212 1.00 0.00 N ATOM 190 CA SER A 15 -10.598 2.884 -0.040 1.00 0.00 C ATOM 191 C SER A 15 -9.336 2.092 -0.368 1.00 0.00 C ATOM 192 O SER A 15 -8.709 2.301 -1.407 1.00 0.00 O ATOM 193 CB SER A 15 -11.752 2.418 -0.930 1.00 0.00 C ATOM 194 OG SER A 15 -13.004 2.754 -0.360 1.00 0.00 O ATOM 0 H SER A 15 -10.640 4.676 -1.127 1.00 0.00 H new ATOM 0 HA SER A 15 -10.858 2.705 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.663 2.876 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.692 1.339 -1.073 1.00 0.00 H new ATOM 0 HG SER A 15 -13.072 2.360 0.535 1.00 0.00 H new ATOM 200 N CYS A 16 -8.968 1.180 0.526 1.00 0.00 N ATOM 201 CA CYS A 16 -7.781 0.356 0.335 1.00 0.00 C ATOM 202 C CYS A 16 -8.098 -0.862 -0.527 1.00 0.00 C ATOM 203 O CYS A 16 -8.498 -1.910 -0.019 1.00 0.00 O ATOM 204 CB CYS A 16 -7.223 -0.093 1.687 1.00 0.00 C ATOM 205 SG CYS A 16 -5.784 -1.203 1.566 1.00 0.00 S ATOM 0 H CYS A 16 -9.476 0.993 1.391 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.030 0.957 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.941 0.789 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.012 -0.598 2.244 1.00 0.00 H new ATOM 210 N LYS A 17 -7.917 -0.718 -1.835 1.00 0.00 N ATOM 211 CA LYS A 17 -8.182 -1.805 -2.770 1.00 0.00 C ATOM 212 C LYS A 17 -7.058 -2.836 -2.737 1.00 0.00 C ATOM 213 O LYS A 17 -6.414 -3.099 -3.753 1.00 0.00 O ATOM 214 CB LYS A 17 -8.344 -1.257 -4.190 1.00 0.00 C ATOM 215 CG LYS A 17 -9.604 -0.431 -4.382 1.00 0.00 C ATOM 216 CD LYS A 17 -10.854 -1.288 -4.277 1.00 0.00 C ATOM 217 CE LYS A 17 -12.101 -0.504 -4.658 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.277 -0.898 -3.834 1.00 0.00 N ATOM 0 H LYS A 17 -7.587 0.142 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.109 -2.293 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.477 -0.644 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.355 -2.090 -4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.640 0.359 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.576 0.055 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.756 -2.157 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.955 -1.662 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.912 0.562 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.325 -0.668 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.106 -0.341 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.474 -1.910 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.073 -0.718 -2.830 1.00 0.00 H new ATOM 232 N TRP A 18 -6.830 -3.418 -1.566 1.00 0.00 N ATOM 233 CA TRP A 18 -5.785 -4.422 -1.402 1.00 0.00 C ATOM 234 C TRP A 18 -6.377 -5.827 -1.384 1.00 0.00 C ATOM 235 O TRP A 18 -6.821 -6.310 -0.342 1.00 0.00 O ATOM 236 CB TRP A 18 -5.003 -4.169 -0.112 1.00 0.00 C ATOM 237 CG TRP A 18 -3.896 -5.154 0.116 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.015 -6.420 0.613 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.503 -4.952 -0.145 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.780 -7.017 0.678 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.836 -6.138 0.218 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.754 -3.886 -0.651 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.457 -6.285 0.091 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.386 -4.033 -0.776 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.251 -5.225 -0.407 1.00 0.00 C ATOM 0 H TRP A 18 -7.354 -3.212 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.106 -4.345 -2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.584 -3.163 -0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.690 -4.204 0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.944 -6.884 0.911 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.596 -7.962 1.014 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.236 -2.964 -0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.036 -7.203 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.202 -3.215 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.322 -5.309 -0.518 1.00 0.00 H new ATOM 256 N ILE A 19 -6.380 -6.477 -2.543 1.00 0.00 N ATOM 257 CA ILE A 19 -6.917 -7.828 -2.659 1.00 0.00 C ATOM 258 C ILE A 19 -5.916 -8.862 -2.154 1.00 0.00 C ATOM 259 O ILE A 19 -5.035 -9.301 -2.893 1.00 0.00 O ATOM 260 CB ILE A 19 -7.292 -8.161 -4.115 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.429 -7.255 -4.592 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.688 -9.625 -4.238 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.145 -6.574 -5.913 1.00 0.00 C ATOM 0 H ILE A 19 -6.017 -6.091 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.816 -7.865 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.422 -7.985 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.339 -7.847 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.620 -6.495 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.950 -9.845 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.852 -10.255 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.546 -9.825 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.993 -5.948 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.253 -5.955 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.984 -7.328 -6.684 1.00 0.00 H new ATOM 275 N ASP A 20 -6.060 -9.248 -0.891 1.00 0.00 N ATOM 276 CA ASP A 20 -5.171 -10.234 -0.287 1.00 0.00 C ATOM 277 C ASP A 20 -5.109 -11.501 -1.134 1.00 0.00 C ATOM 278 O ASP A 20 -5.674 -11.557 -2.226 1.00 0.00 O ATOM 279 CB ASP A 20 -5.638 -10.574 1.129 1.00 0.00 C ATOM 280 CG ASP A 20 -6.037 -9.343 1.918 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.119 -8.785 1.640 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.267 -8.936 2.814 1.00 0.00 O ATOM 0 H ASP A 20 -6.784 -8.893 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.171 -9.803 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.485 -11.258 1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.840 -11.097 1.656 1.00 0.00 H new ATOM 287 N GLU A 21 -4.418 -12.515 -0.623 1.00 0.00 N ATOM 288 CA GLU A 21 -4.281 -13.781 -1.334 1.00 0.00 C ATOM 289 C GLU A 21 -4.452 -14.961 -0.382 1.00 0.00 C ATOM 290 O GLU A 21 -3.827 -15.014 0.676 1.00 0.00 O ATOM 291 CB GLU A 21 -2.917 -13.860 -2.022 1.00 0.00 C ATOM 292 CG GLU A 21 -2.802 -15.003 -3.017 1.00 0.00 C ATOM 293 CD GLU A 21 -2.015 -16.177 -2.468 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.241 -15.977 -1.509 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.172 -17.296 -3.000 1.00 0.00 O ATOM 0 H GLU A 21 -3.945 -12.485 0.280 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.065 -13.830 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.725 -12.919 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.143 -13.971 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.801 -15.339 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.321 -14.641 -3.926 1.00 0.00 H new ATOM 302 N ALA A 22 -5.304 -15.906 -0.767 1.00 0.00 N ATOM 303 CA ALA A 22 -5.557 -17.086 0.051 1.00 0.00 C ATOM 304 C ALA A 22 -6.368 -16.730 1.292 1.00 0.00 C ATOM 305 O ALA A 22 -6.682 -17.596 2.108 1.00 0.00 O ATOM 306 CB ALA A 22 -4.244 -17.744 0.447 1.00 0.00 C ATOM 0 H ALA A 22 -5.831 -15.877 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.140 -17.791 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.448 -18.624 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.701 -18.042 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.641 -17.038 1.018 1.00 0.00 H new ATOM 312 N GLN A 23 -6.704 -15.451 1.427 1.00 0.00 N ATOM 313 CA GLN A 23 -7.478 -14.982 2.571 1.00 0.00 C ATOM 314 C GLN A 23 -8.525 -16.013 2.979 1.00 0.00 C ATOM 315 O GLN A 23 -9.161 -16.639 2.129 1.00 0.00 O ATOM 316 CB GLN A 23 -8.156 -13.651 2.243 1.00 0.00 C ATOM 317 CG GLN A 23 -8.732 -13.591 0.837 1.00 0.00 C ATOM 318 CD GLN A 23 -8.686 -12.196 0.246 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.427 -11.307 0.665 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.812 -11.997 -0.734 1.00 0.00 N ATOM 0 H GLN A 23 -6.453 -14.722 0.759 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.793 -14.837 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.956 -13.473 2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.433 -12.845 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.178 -14.273 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.765 -13.939 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.217 -12.763 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.736 -11.078 -1.171 1.00 0.00 H new ATOM 329 N LEU A 24 -8.701 -16.186 4.285 1.00 0.00 N ATOM 330 CA LEU A 24 -9.671 -17.141 4.807 1.00 0.00 C ATOM 331 C LEU A 24 -10.913 -17.194 3.923 1.00 0.00 C ATOM 332 O LEU A 24 -11.393 -18.272 3.572 1.00 0.00 O ATOM 333 CB LEU A 24 -10.064 -16.769 6.237 1.00 0.00 C ATOM 334 CG LEU A 24 -9.948 -17.885 7.277 1.00 0.00 C ATOM 335 CD1 LEU A 24 -9.396 -17.340 8.585 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.300 -18.547 7.502 1.00 0.00 C ATOM 0 H LEU A 24 -8.184 -15.677 5.002 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.207 -18.127 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.441 -15.934 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.094 -16.413 6.229 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.256 -18.637 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.320 -18.148 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.408 -16.913 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.063 -16.568 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.199 -19.338 8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.014 -17.804 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.657 -18.973 6.564 1.00 0.00 H new ATOM 348 N SER A 25 -11.428 -16.022 3.564 1.00 0.00 N ATOM 349 CA SER A 25 -12.615 -15.934 2.723 1.00 0.00 C ATOM 350 C SER A 25 -12.239 -15.983 1.245 1.00 0.00 C ATOM 351 O SER A 25 -11.113 -15.655 0.869 1.00 0.00 O ATOM 352 CB SER A 25 -13.385 -14.646 3.022 1.00 0.00 C ATOM 353 OG SER A 25 -13.848 -14.628 4.361 1.00 0.00 O ATOM 0 H SER A 25 -11.041 -15.120 3.843 1.00 0.00 H new ATOM 0 HA SER A 25 -13.252 -16.790 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.741 -13.784 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.231 -14.558 2.340 1.00 0.00 H new ATOM 0 HG SER A 25 -14.335 -13.794 4.527 1.00 0.00 H new ATOM 359 N ARG A 26 -13.189 -16.394 0.412 1.00 0.00 N ATOM 360 CA ARG A 26 -12.957 -16.488 -1.024 1.00 0.00 C ATOM 361 C ARG A 26 -14.241 -16.210 -1.801 1.00 0.00 C ATOM 362 O ARG A 26 -15.350 -16.337 -1.282 1.00 0.00 O ATOM 363 CB ARG A 26 -12.419 -17.873 -1.387 1.00 0.00 C ATOM 364 CG ARG A 26 -10.915 -18.007 -1.210 1.00 0.00 C ATOM 365 CD ARG A 26 -10.162 -17.444 -2.405 1.00 0.00 C ATOM 366 NE ARG A 26 -10.410 -18.214 -3.621 1.00 0.00 N ATOM 367 CZ ARG A 26 -9.981 -19.458 -3.805 1.00 0.00 C ATOM 368 NH1 ARG A 26 -9.286 -20.069 -2.856 1.00 0.00 N ATOM 369 NH2 ARG A 26 -10.248 -20.092 -4.939 1.00 0.00 N ATOM 0 H ARG A 26 -14.126 -16.667 0.707 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.217 -15.736 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.917 -18.620 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.676 -18.093 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.606 -17.485 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.655 -19.057 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.459 -16.408 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.093 -17.439 -2.191 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.942 -17.772 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.080 -19.584 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.958 -21.024 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.783 -19.625 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.918 -21.047 -5.079 1.00 0.00 H new ATOM 383 N PRO A 27 -14.089 -15.821 -3.076 1.00 0.00 N ATOM 384 CA PRO A 27 -12.774 -15.666 -3.705 1.00 0.00 C ATOM 385 C PRO A 27 -12.002 -14.475 -3.147 1.00 0.00 C ATOM 386 O PRO A 27 -12.542 -13.674 -2.384 1.00 0.00 O ATOM 387 CB PRO A 27 -13.112 -15.440 -5.181 1.00 0.00 C ATOM 388 CG PRO A 27 -14.489 -14.871 -5.172 1.00 0.00 C ATOM 389 CD PRO A 27 -15.190 -15.502 -4.001 1.00 0.00 C ATOM 0 HA PRO A 27 -12.132 -16.529 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.404 -14.756 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.073 -16.373 -5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.462 -13.786 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.009 -15.093 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.910 -14.820 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.739 -16.396 -4.296 1.00 0.00 H new ATOM 397 N LYS A 28 -10.735 -14.365 -3.532 1.00 0.00 N ATOM 398 CA LYS A 28 -9.888 -13.271 -3.073 1.00 0.00 C ATOM 399 C LYS A 28 -10.664 -11.958 -3.040 1.00 0.00 C ATOM 400 O LYS A 28 -10.831 -11.298 -4.066 1.00 0.00 O ATOM 401 CB LYS A 28 -8.664 -13.130 -3.981 1.00 0.00 C ATOM 402 CG LYS A 28 -7.609 -14.199 -3.750 1.00 0.00 C ATOM 403 CD LYS A 28 -6.642 -14.289 -4.919 1.00 0.00 C ATOM 404 CE LYS A 28 -6.873 -15.550 -5.737 1.00 0.00 C ATOM 405 NZ LYS A 28 -8.177 -15.513 -6.456 1.00 0.00 N ATOM 0 H LYS A 28 -10.272 -15.021 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.557 -13.502 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.987 -13.169 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.216 -12.149 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.058 -13.976 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.094 -15.164 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.759 -13.413 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.618 -14.278 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.064 -15.669 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.845 -16.419 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.297 -16.390 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.951 -15.425 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.194 -14.698 -7.102 1.00 0.00 H new ATOM 419 N LYS A 29 -11.135 -11.584 -1.855 1.00 0.00 N ATOM 420 CA LYS A 29 -11.890 -10.348 -1.688 1.00 0.00 C ATOM 421 C LYS A 29 -10.963 -9.137 -1.696 1.00 0.00 C ATOM 422 O LYS A 29 -9.743 -9.279 -1.780 1.00 0.00 O ATOM 423 CB LYS A 29 -12.686 -10.386 -0.381 1.00 0.00 C ATOM 424 CG LYS A 29 -13.436 -11.689 -0.163 1.00 0.00 C ATOM 425 CD LYS A 29 -14.761 -11.700 -0.908 1.00 0.00 C ATOM 426 CE LYS A 29 -15.264 -13.119 -1.128 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.743 -13.163 -1.297 1.00 0.00 N ATOM 0 H LYS A 29 -11.007 -12.119 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.581 -10.258 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.005 -10.225 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.398 -9.561 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.822 -12.524 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.615 -11.833 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.502 -11.133 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.643 -11.201 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.785 -13.541 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.977 -13.742 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.046 -14.147 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.201 -12.783 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.016 -12.589 -2.121 1.00 0.00 H new ATOM 441 N SER A 30 -11.549 -7.948 -1.605 1.00 0.00 N ATOM 442 CA SER A 30 -10.774 -6.712 -1.604 1.00 0.00 C ATOM 443 C SER A 30 -10.800 -6.056 -0.227 1.00 0.00 C ATOM 444 O SER A 30 -11.866 -5.817 0.340 1.00 0.00 O ATOM 445 CB SER A 30 -11.320 -5.742 -2.654 1.00 0.00 C ATOM 446 OG SER A 30 -12.503 -6.247 -3.248 1.00 0.00 O ATOM 0 H SER A 30 -12.557 -7.814 -1.531 1.00 0.00 H new ATOM 0 HA SER A 30 -9.741 -6.959 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.525 -4.777 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.567 -5.572 -3.423 1.00 0.00 H new ATOM 0 HG SER A 30 -12.833 -5.608 -3.914 1.00 0.00 H new ATOM 452 N CYS A 31 -9.617 -5.768 0.306 1.00 0.00 N ATOM 453 CA CYS A 31 -9.501 -5.141 1.617 1.00 0.00 C ATOM 454 C CYS A 31 -10.533 -4.029 1.781 1.00 0.00 C ATOM 455 O CYS A 31 -10.984 -3.745 2.891 1.00 0.00 O ATOM 456 CB CYS A 31 -8.092 -4.577 1.813 1.00 0.00 C ATOM 457 SG CYS A 31 -7.904 -3.548 3.304 1.00 0.00 S ATOM 0 H CYS A 31 -8.725 -5.959 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.689 -5.902 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.385 -5.405 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.825 -3.983 0.939 1.00 0.00 H new ATOM 462 N ASP A 32 -10.903 -3.404 0.668 1.00 0.00 N ATOM 463 CA ASP A 32 -11.882 -2.324 0.688 1.00 0.00 C ATOM 464 C ASP A 32 -11.489 -1.251 1.699 1.00 0.00 C ATOM 465 O ASP A 32 -10.762 -0.313 1.372 1.00 0.00 O ATOM 466 CB ASP A 32 -13.271 -2.872 1.021 1.00 0.00 C ATOM 467 CG ASP A 32 -14.094 -3.156 -0.220 1.00 0.00 C ATOM 468 OD1 ASP A 32 -13.509 -3.593 -1.234 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.324 -2.944 -0.177 1.00 0.00 O ATOM 0 H ASP A 32 -10.540 -3.627 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.906 -1.871 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.167 -3.788 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.800 -2.155 1.648 1.00 0.00 H new ATOM 474 N ARG A 33 -11.977 -1.396 2.926 1.00 0.00 N ATOM 475 CA ARG A 33 -11.678 -0.438 3.984 1.00 0.00 C ATOM 476 C ARG A 33 -12.084 0.973 3.571 1.00 0.00 C ATOM 477 O ARG A 33 -12.543 1.196 2.450 1.00 0.00 O ATOM 478 CB ARG A 33 -10.187 -0.471 4.326 1.00 0.00 C ATOM 479 CG ARG A 33 -9.902 -0.391 5.817 1.00 0.00 C ATOM 480 CD ARG A 33 -9.417 -1.724 6.364 1.00 0.00 C ATOM 481 NE ARG A 33 -10.504 -2.691 6.492 1.00 0.00 N ATOM 482 CZ ARG A 33 -10.362 -3.885 7.057 1.00 0.00 C ATOM 483 NH1 ARG A 33 -9.186 -4.257 7.543 1.00 0.00 N ATOM 484 NH2 ARG A 33 -11.399 -4.710 7.137 1.00 0.00 N ATOM 0 H ARG A 33 -12.581 -2.167 3.212 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.253 -0.720 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.752 -1.389 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.689 0.359 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.150 0.376 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.806 -0.087 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.648 -2.128 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.953 -1.569 7.338 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.422 -2.436 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.387 -3.626 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.080 -5.174 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.306 -4.427 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.289 -5.627 7.571 1.00 0.00 H new ATOM 498 N THR A 34 -11.914 1.924 4.484 1.00 0.00 N ATOM 499 CA THR A 34 -12.265 3.313 4.216 1.00 0.00 C ATOM 500 C THR A 34 -11.549 4.256 5.176 1.00 0.00 C ATOM 501 O THR A 34 -11.650 4.112 6.395 1.00 0.00 O ATOM 502 CB THR A 34 -13.784 3.541 4.327 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.299 2.858 5.476 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.498 3.050 3.077 1.00 0.00 C ATOM 0 H THR A 34 -11.535 1.757 5.416 1.00 0.00 H new ATOM 0 HA THR A 34 -11.947 3.528 3.196 1.00 0.00 H new ATOM 0 HB THR A 34 -13.962 4.611 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.681 2.971 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.570 3.222 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.125 3.592 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.312 1.984 2.947 1.00 0.00 H new ATOM 512 N PHE A 35 -10.826 5.223 4.620 1.00 0.00 N ATOM 513 CA PHE A 35 -10.093 6.190 5.428 1.00 0.00 C ATOM 514 C PHE A 35 -10.414 7.617 4.993 1.00 0.00 C ATOM 515 O PHE A 35 -10.848 7.851 3.865 1.00 0.00 O ATOM 516 CB PHE A 35 -8.587 5.939 5.322 1.00 0.00 C ATOM 517 CG PHE A 35 -8.176 4.566 5.772 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.115 4.254 7.120 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.849 3.589 4.846 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.737 2.992 7.538 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.470 2.325 5.258 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.413 2.026 6.605 1.00 0.00 C ATOM 0 H PHE A 35 -10.732 5.357 3.613 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.402 6.067 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.275 6.083 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.060 6.682 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.366 5.006 7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.891 3.817 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.695 2.761 8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.218 1.571 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.116 1.039 6.928 1.00 0.00 H new ATOM 532 N SER A 36 -10.197 8.568 5.896 1.00 0.00 N ATOM 533 CA SER A 36 -10.467 9.972 5.607 1.00 0.00 C ATOM 534 C SER A 36 -9.166 10.755 5.452 1.00 0.00 C ATOM 535 O SER A 36 -9.167 11.903 5.009 1.00 0.00 O ATOM 536 CB SER A 36 -11.317 10.589 6.720 1.00 0.00 C ATOM 537 OG SER A 36 -12.611 10.922 6.247 1.00 0.00 O ATOM 0 H SER A 36 -9.835 8.392 6.833 1.00 0.00 H new ATOM 0 HA SER A 36 -11.017 10.025 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.399 9.888 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.826 11.483 7.105 1.00 0.00 H new ATOM 0 HG SER A 36 -13.136 11.313 6.977 1.00 0.00 H new ATOM 543 N THR A 37 -8.056 10.124 5.822 1.00 0.00 N ATOM 544 CA THR A 37 -6.748 10.759 5.726 1.00 0.00 C ATOM 545 C THR A 37 -5.808 9.953 4.837 1.00 0.00 C ATOM 546 O THR A 37 -5.816 8.722 4.865 1.00 0.00 O ATOM 547 CB THR A 37 -6.103 10.929 7.114 1.00 0.00 C ATOM 548 OG1 THR A 37 -6.207 9.709 7.856 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.770 12.056 7.887 1.00 0.00 C ATOM 0 H THR A 37 -8.037 9.173 6.191 1.00 0.00 H new ATOM 0 HA THR A 37 -6.907 11.743 5.284 1.00 0.00 H new ATOM 0 HB THR A 37 -5.052 11.179 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.986 9.878 8.796 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.297 12.157 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.663 12.989 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.828 11.831 8.018 1.00 0.00 H new ATOM 557 N MET A 38 -5.000 10.654 4.049 1.00 0.00 N ATOM 558 CA MET A 38 -4.052 10.001 3.153 1.00 0.00 C ATOM 559 C MET A 38 -3.009 9.217 3.942 1.00 0.00 C ATOM 560 O MET A 38 -2.523 8.180 3.488 1.00 0.00 O ATOM 561 CB MET A 38 -3.363 11.037 2.263 1.00 0.00 C ATOM 562 CG MET A 38 -3.138 10.560 0.837 1.00 0.00 C ATOM 563 SD MET A 38 -4.607 10.733 -0.194 1.00 0.00 S ATOM 564 CE MET A 38 -4.610 9.158 -1.046 1.00 0.00 C ATOM 0 H MET A 38 -4.982 11.673 4.012 1.00 0.00 H new ATOM 0 HA MET A 38 -4.606 9.303 2.525 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.966 11.945 2.243 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.402 11.302 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.319 11.126 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.831 9.514 0.852 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.398 9.153 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.645 9.004 -1.529 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.789 8.357 -0.329 1.00 0.00 H new ATOM 574 N HIS A 39 -2.668 9.718 5.125 1.00 0.00 N ATOM 575 CA HIS A 39 -1.682 9.064 5.977 1.00 0.00 C ATOM 576 C HIS A 39 -2.171 7.687 6.416 1.00 0.00 C ATOM 577 O HIS A 39 -1.405 6.724 6.439 1.00 0.00 O ATOM 578 CB HIS A 39 -1.383 9.926 7.203 1.00 0.00 C ATOM 579 CG HIS A 39 0.062 10.295 7.339 1.00 0.00 C ATOM 580 ND1 HIS A 39 1.062 9.363 7.522 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.674 11.502 7.317 1.00 0.00 C ATOM 582 CE1 HIS A 39 2.227 9.981 7.608 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.019 11.280 7.486 1.00 0.00 N ATOM 0 H HIS A 39 -3.060 10.575 5.515 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.766 8.938 5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.979 10.837 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.698 9.391 8.099 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.194 12.461 7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.186 9.505 7.753 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.740 12.001 7.513 1.00 0.00 H new ATOM 591 N GLU A 40 -3.452 7.603 6.764 1.00 0.00 N ATOM 592 CA GLU A 40 -4.042 6.344 7.204 1.00 0.00 C ATOM 593 C GLU A 40 -3.822 5.248 6.165 1.00 0.00 C ATOM 594 O GLU A 40 -3.203 4.221 6.450 1.00 0.00 O ATOM 595 CB GLU A 40 -5.539 6.521 7.465 1.00 0.00 C ATOM 596 CG GLU A 40 -5.850 7.167 8.805 1.00 0.00 C ATOM 597 CD GLU A 40 -5.826 6.174 9.951 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.718 5.795 10.384 1.00 0.00 O ATOM 599 OE2 GLU A 40 -6.915 5.776 10.415 1.00 0.00 O ATOM 0 H GLU A 40 -4.100 8.391 6.750 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.551 6.046 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.969 7.129 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.025 5.547 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.126 7.958 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.832 7.638 8.758 1.00 0.00 H new ATOM 606 N LEU A 41 -4.333 5.472 4.960 1.00 0.00 N ATOM 607 CA LEU A 41 -4.194 4.504 3.877 1.00 0.00 C ATOM 608 C LEU A 41 -2.743 4.058 3.729 1.00 0.00 C ATOM 609 O LEU A 41 -2.440 2.866 3.782 1.00 0.00 O ATOM 610 CB LEU A 41 -4.691 5.106 2.561 1.00 0.00 C ATOM 611 CG LEU A 41 -4.766 4.148 1.372 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.345 2.809 1.800 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.595 4.756 0.250 1.00 0.00 C ATOM 0 H LEU A 41 -4.848 6.316 4.708 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.800 3.632 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.683 5.525 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.036 5.935 2.293 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.755 3.980 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.390 2.141 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.711 2.368 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.349 2.957 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.638 4.061 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.605 4.954 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.137 5.690 -0.076 1.00 0.00 H new ATOM 625 N VAL A 42 -1.847 5.024 3.546 1.00 0.00 N ATOM 626 CA VAL A 42 -0.427 4.731 3.394 1.00 0.00 C ATOM 627 C VAL A 42 0.116 3.996 4.614 1.00 0.00 C ATOM 628 O VAL A 42 0.980 3.127 4.496 1.00 0.00 O ATOM 629 CB VAL A 42 0.391 6.018 3.176 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.858 5.686 2.950 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.170 6.814 2.008 1.00 0.00 C ATOM 0 H VAL A 42 -2.080 6.016 3.500 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.327 4.093 2.516 1.00 0.00 H new ATOM 0 HB VAL A 42 0.316 6.632 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.420 6.607 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.251 5.161 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.956 5.052 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.420 7.720 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.127 6.210 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.205 7.084 2.216 1.00 0.00 H new ATOM 641 N THR A 43 -0.397 4.350 5.788 1.00 0.00 N ATOM 642 CA THR A 43 0.037 3.726 7.031 1.00 0.00 C ATOM 643 C THR A 43 -0.644 2.377 7.236 1.00 0.00 C ATOM 644 O THR A 43 -0.219 1.576 8.070 1.00 0.00 O ATOM 645 CB THR A 43 -0.258 4.627 8.246 1.00 0.00 C ATOM 646 OG1 THR A 43 0.800 5.576 8.420 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.414 3.796 9.510 1.00 0.00 C ATOM 0 H THR A 43 -1.114 5.066 5.904 1.00 0.00 H new ATOM 0 HA THR A 43 1.114 3.578 6.951 1.00 0.00 H new ATOM 0 HB THR A 43 -1.193 5.156 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.604 6.146 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.622 4.453 10.354 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.239 3.095 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.507 3.244 9.698 1.00 0.00 H new ATOM 655 N HIS A 44 -1.702 2.132 6.470 1.00 0.00 N ATOM 656 CA HIS A 44 -2.441 0.878 6.567 1.00 0.00 C ATOM 657 C HIS A 44 -1.736 -0.230 5.791 1.00 0.00 C ATOM 658 O HIS A 44 -1.231 -1.188 6.376 1.00 0.00 O ATOM 659 CB HIS A 44 -3.865 1.059 6.040 1.00 0.00 C ATOM 660 CG HIS A 44 -4.583 -0.233 5.797 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.534 -0.739 6.657 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.484 -1.123 4.781 1.00 0.00 C ATOM 663 CE1 HIS A 44 -5.989 -1.885 6.182 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.368 -2.140 5.045 1.00 0.00 N ATOM 0 H HIS A 44 -2.067 2.784 5.776 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.484 0.591 7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.435 1.653 6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.830 1.626 5.110 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.839 -0.298 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.832 -1.047 3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.741 -2.507 6.645 1.00 0.00 H new ATOM 672 N VAL A 45 -1.706 -0.093 4.469 1.00 0.00 N ATOM 673 CA VAL A 45 -1.062 -1.082 3.612 1.00 0.00 C ATOM 674 C VAL A 45 0.384 -1.316 4.034 1.00 0.00 C ATOM 675 O VAL A 45 1.012 -2.293 3.624 1.00 0.00 O ATOM 676 CB VAL A 45 -1.091 -0.648 2.135 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.553 -1.757 1.242 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.502 -0.258 1.722 1.00 0.00 C ATOM 0 H VAL A 45 -2.120 0.693 3.968 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.624 -2.010 3.721 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.448 0.225 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.581 -1.432 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.475 -1.984 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.167 -2.650 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.504 0.046 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.168 -1.111 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.846 0.570 2.341 1.00 0.00 H new ATOM 688 N THR A 46 0.909 -0.414 4.857 1.00 0.00 N ATOM 689 CA THR A 46 2.281 -0.521 5.335 1.00 0.00 C ATOM 690 C THR A 46 2.442 -1.701 6.286 1.00 0.00 C ATOM 691 O THR A 46 3.130 -2.673 5.974 1.00 0.00 O ATOM 692 CB THR A 46 2.729 0.766 6.052 1.00 0.00 C ATOM 693 OG1 THR A 46 3.013 1.789 5.091 1.00 0.00 O ATOM 694 CG2 THR A 46 3.961 0.509 6.906 1.00 0.00 C ATOM 0 H THR A 46 0.403 0.400 5.207 1.00 0.00 H new ATOM 0 HA THR A 46 2.909 -0.676 4.458 1.00 0.00 H new ATOM 0 HB THR A 46 1.918 1.094 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.354 2.509 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.259 1.433 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.733 -0.249 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.776 0.159 6.273 1.00 0.00 H new ATOM 702 N MET A 47 1.802 -1.610 7.448 1.00 0.00 N ATOM 703 CA MET A 47 1.873 -2.673 8.444 1.00 0.00 C ATOM 704 C MET A 47 0.730 -3.666 8.262 1.00 0.00 C ATOM 705 O MET A 47 0.942 -4.878 8.264 1.00 0.00 O ATOM 706 CB MET A 47 1.832 -2.082 9.855 1.00 0.00 C ATOM 707 CG MET A 47 0.458 -2.148 10.501 1.00 0.00 C ATOM 708 SD MET A 47 0.463 -1.556 12.204 1.00 0.00 S ATOM 709 CE MET A 47 0.945 0.153 11.968 1.00 0.00 C ATOM 0 H MET A 47 1.229 -0.812 7.722 1.00 0.00 H new ATOM 0 HA MET A 47 2.816 -3.203 8.307 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.546 -2.614 10.484 1.00 0.00 H new ATOM 0 HB3 MET A 47 2.156 -1.042 9.814 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.243 -1.553 9.916 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.099 -3.177 10.479 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.690 0.729 12.857 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.020 0.208 11.797 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.419 0.564 11.106 1.00 0.00 H new ATOM 719 N GLU A 48 -0.483 -3.143 8.107 1.00 0.00 N ATOM 720 CA GLU A 48 -1.659 -3.986 7.925 1.00 0.00 C ATOM 721 C GLU A 48 -1.420 -5.028 6.837 1.00 0.00 C ATOM 722 O GLU A 48 -1.824 -6.184 6.969 1.00 0.00 O ATOM 723 CB GLU A 48 -2.877 -3.130 7.568 1.00 0.00 C ATOM 724 CG GLU A 48 -3.076 -1.940 8.492 1.00 0.00 C ATOM 725 CD GLU A 48 -3.164 -2.342 9.951 1.00 0.00 C ATOM 726 OE1 GLU A 48 -3.753 -3.405 10.238 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.643 -1.595 10.805 1.00 0.00 O ATOM 0 H GLU A 48 -0.676 -2.142 8.104 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.850 -4.505 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.771 -2.771 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.770 -3.754 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.250 -1.241 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.987 -1.413 8.209 1.00 0.00 H new ATOM 734 N HIS A 49 -0.760 -4.611 5.761 1.00 0.00 N ATOM 735 CA HIS A 49 -0.466 -5.507 4.649 1.00 0.00 C ATOM 736 C HIS A 49 1.030 -5.795 4.564 1.00 0.00 C ATOM 737 O HIS A 49 1.503 -6.825 5.044 1.00 0.00 O ATOM 738 CB HIS A 49 -0.956 -4.901 3.334 1.00 0.00 C ATOM 739 CG HIS A 49 -2.448 -4.869 3.208 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.270 -5.834 3.751 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.267 -3.981 2.597 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.529 -5.541 3.479 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.555 -4.421 2.780 1.00 0.00 N ATOM 0 H HIS A 49 -0.419 -3.658 5.636 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.990 -6.447 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.570 -3.885 3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.542 -5.473 2.503 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.955 -6.647 4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.964 -3.092 2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.391 -6.119 3.778 1.00 0.00 H new ATOM 751 N VAL A 50 1.770 -4.878 3.948 1.00 0.00 N ATOM 752 CA VAL A 50 3.212 -5.033 3.800 1.00 0.00 C ATOM 753 C VAL A 50 3.845 -5.546 5.089 1.00 0.00 C ATOM 754 O VAL A 50 4.870 -6.226 5.063 1.00 0.00 O ATOM 755 CB VAL A 50 3.882 -3.704 3.406 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.266 -3.598 4.027 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.957 -3.574 1.892 1.00 0.00 C ATOM 0 H VAL A 50 1.394 -4.020 3.544 1.00 0.00 H new ATOM 0 HA VAL A 50 3.372 -5.761 3.005 1.00 0.00 H new ATOM 0 HB VAL A 50 3.275 -2.884 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.723 -2.652 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.182 -3.643 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.886 -4.423 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.433 -2.629 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.541 -4.399 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.951 -3.601 1.474 1.00 0.00 H new ATOM 767 N GLY A 51 3.226 -5.214 6.219 1.00 0.00 N ATOM 768 CA GLY A 51 3.743 -5.649 7.503 1.00 0.00 C ATOM 769 C GLY A 51 5.208 -5.307 7.685 1.00 0.00 C ATOM 770 O GLY A 51 5.865 -4.843 6.753 1.00 0.00 O ATOM 0 H GLY A 51 2.376 -4.652 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.163 -5.185 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.610 -6.727 7.598 1.00 0.00 H new ATOM 774 N GLY A 52 5.723 -5.534 8.889 1.00 0.00 N ATOM 775 CA GLY A 52 7.116 -5.239 9.169 1.00 0.00 C ATOM 776 C GLY A 52 8.061 -5.960 8.228 1.00 0.00 C ATOM 777 O GLY A 52 7.646 -6.760 7.389 1.00 0.00 O ATOM 0 H GLY A 52 5.200 -5.917 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.280 -4.164 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.345 -5.522 10.196 1.00 0.00 H new ATOM 781 N PRO A 53 9.366 -5.677 8.362 1.00 0.00 N ATOM 782 CA PRO A 53 10.399 -6.293 7.524 1.00 0.00 C ATOM 783 C PRO A 53 10.589 -7.774 7.833 1.00 0.00 C ATOM 784 O PRO A 53 11.292 -8.482 7.113 1.00 0.00 O ATOM 785 CB PRO A 53 11.662 -5.506 7.883 1.00 0.00 C ATOM 786 CG PRO A 53 11.411 -4.993 9.259 1.00 0.00 C ATOM 787 CD PRO A 53 9.932 -4.734 9.341 1.00 0.00 C ATOM 0 HA PRO A 53 10.142 -6.254 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.547 -6.142 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.833 -4.690 7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.722 -5.720 10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.978 -4.081 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.547 -4.917 10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.690 -3.701 9.090 1.00 0.00 H new ATOM 795 N GLU A 54 9.957 -8.236 8.908 1.00 0.00 N ATOM 796 CA GLU A 54 10.058 -9.633 9.311 1.00 0.00 C ATOM 797 C GLU A 54 8.921 -10.456 8.711 1.00 0.00 C ATOM 798 O GLU A 54 8.736 -11.622 9.057 1.00 0.00 O ATOM 799 CB GLU A 54 10.037 -9.750 10.836 1.00 0.00 C ATOM 800 CG GLU A 54 11.290 -10.386 11.415 1.00 0.00 C ATOM 801 CD GLU A 54 11.081 -11.836 11.806 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.986 -12.687 10.896 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.012 -12.120 13.020 1.00 0.00 O ATOM 0 H GLU A 54 9.370 -7.663 9.515 1.00 0.00 H new ATOM 0 HA GLU A 54 11.004 -10.025 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.912 -8.756 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.170 -10.339 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.096 -10.323 10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.609 -9.820 12.290 1.00 0.00 H new ATOM 810 N GLN A 55 8.162 -9.838 7.812 1.00 0.00 N ATOM 811 CA GLN A 55 7.042 -10.512 7.165 1.00 0.00 C ATOM 812 C GLN A 55 7.537 -11.523 6.136 1.00 0.00 C ATOM 813 O GLN A 55 8.541 -11.298 5.463 1.00 0.00 O ATOM 814 CB GLN A 55 6.124 -9.490 6.493 1.00 0.00 C ATOM 815 CG GLN A 55 4.649 -9.715 6.782 1.00 0.00 C ATOM 816 CD GLN A 55 4.130 -11.013 6.195 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.463 -11.793 6.876 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.434 -11.252 4.925 1.00 0.00 N ATOM 0 H GLN A 55 8.302 -8.872 7.515 1.00 0.00 H new ATOM 0 HA GLN A 55 6.480 -11.046 7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.402 -8.490 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.284 -9.524 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.491 -9.720 7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.073 -8.882 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.989 -10.578 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.112 -12.110 4.476 1.00 0.00 H new ATOM 827 N ASN A 56 6.824 -12.639 6.021 1.00 0.00 N ATOM 828 CA ASN A 56 7.191 -13.686 5.074 1.00 0.00 C ATOM 829 C ASN A 56 6.565 -13.428 3.707 1.00 0.00 C ATOM 830 O ASN A 56 5.374 -13.660 3.505 1.00 0.00 O ATOM 831 CB ASN A 56 6.751 -15.054 5.599 1.00 0.00 C ATOM 832 CG ASN A 56 7.502 -16.195 4.940 1.00 0.00 C ATOM 833 OD1 ASN A 56 8.718 -16.320 5.087 1.00 0.00 O ATOM 834 ND2 ASN A 56 6.779 -17.035 4.209 1.00 0.00 N ATOM 0 H ASN A 56 5.989 -12.841 6.571 1.00 0.00 H new ATOM 0 HA ASN A 56 8.275 -13.678 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.908 -15.094 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.682 -15.179 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.229 -17.822 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.773 -16.893 4.114 1.00 0.00 H new ATOM 841 N ASN A 57 7.377 -12.946 2.772 1.00 0.00 N ATOM 842 CA ASN A 57 6.903 -12.655 1.424 1.00 0.00 C ATOM 843 C ASN A 57 6.132 -11.339 1.389 1.00 0.00 C ATOM 844 O ASN A 57 5.113 -11.187 2.064 1.00 0.00 O ATOM 845 CB ASN A 57 6.015 -13.793 0.917 1.00 0.00 C ATOM 846 CG ASN A 57 6.240 -14.092 -0.552 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.589 -15.213 -0.923 1.00 0.00 O ATOM 848 ND2 ASN A 57 6.041 -13.088 -1.398 1.00 0.00 N ATOM 0 H ASN A 57 8.366 -12.749 2.923 1.00 0.00 H new ATOM 0 HA ASN A 57 7.772 -12.563 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.211 -14.692 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.969 -13.532 1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.177 -13.230 -2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.752 -12.175 -1.047 1.00 0.00 H new ATOM 855 N HIS A 58 6.626 -10.391 0.599 1.00 0.00 N ATOM 856 CA HIS A 58 5.983 -9.088 0.476 1.00 0.00 C ATOM 857 C HIS A 58 5.661 -8.777 -0.983 1.00 0.00 C ATOM 858 O HIS A 58 6.549 -8.449 -1.769 1.00 0.00 O ATOM 859 CB HIS A 58 6.881 -7.995 1.056 1.00 0.00 C ATOM 860 CG HIS A 58 8.104 -8.525 1.740 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.375 -8.064 1.472 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.244 -9.483 2.686 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.245 -8.716 2.223 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.584 -9.582 2.969 1.00 0.00 N ATOM 0 H HIS A 58 7.469 -10.501 0.035 1.00 0.00 H new ATOM 0 HA HIS A 58 5.050 -9.117 1.038 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.186 -7.323 0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.305 -7.402 1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.450 -10.062 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.315 -8.566 2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.001 -10.221 3.646 1.00 0.00 H new ATOM 872 N VAL A 59 4.384 -8.882 -1.337 1.00 0.00 N ATOM 873 CA VAL A 59 3.944 -8.612 -2.701 1.00 0.00 C ATOM 874 C VAL A 59 2.898 -7.504 -2.732 1.00 0.00 C ATOM 875 O VAL A 59 2.148 -7.316 -1.773 1.00 0.00 O ATOM 876 CB VAL A 59 3.360 -9.874 -3.363 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.613 -9.511 -4.637 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.461 -10.883 -3.649 1.00 0.00 C ATOM 0 H VAL A 59 3.636 -9.152 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 59 4.824 -8.292 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 59 2.651 -10.331 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.207 -10.415 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.798 -8.827 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.298 -9.030 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.031 -11.768 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.196 -10.439 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.947 -11.166 -2.715 1.00 0.00 H new ATOM 888 N CYS A 60 2.852 -6.771 -3.840 1.00 0.00 N ATOM 889 CA CYS A 60 1.897 -5.681 -3.997 1.00 0.00 C ATOM 890 C CYS A 60 0.556 -6.202 -4.507 1.00 0.00 C ATOM 891 O CYS A 60 0.413 -6.530 -5.685 1.00 0.00 O ATOM 892 CB CYS A 60 2.447 -4.628 -4.961 1.00 0.00 C ATOM 893 SG CYS A 60 1.262 -3.309 -5.377 1.00 0.00 S ATOM 0 H CYS A 60 3.466 -6.913 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 60 1.742 -5.224 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.336 -4.177 -4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.762 -5.122 -5.880 1.00 0.00 H new ATOM 898 N TYR A 61 -0.423 -6.273 -3.612 1.00 0.00 N ATOM 899 CA TYR A 61 -1.752 -6.756 -3.970 1.00 0.00 C ATOM 900 C TYR A 61 -2.721 -5.593 -4.160 1.00 0.00 C ATOM 901 O TYR A 61 -2.955 -4.809 -3.240 1.00 0.00 O ATOM 902 CB TYR A 61 -2.281 -7.704 -2.892 1.00 0.00 C ATOM 903 CG TYR A 61 -1.538 -9.019 -2.826 1.00 0.00 C ATOM 904 CD1 TYR A 61 -0.406 -9.161 -2.033 1.00 0.00 C ATOM 905 CD2 TYR A 61 -1.969 -10.120 -3.555 1.00 0.00 C ATOM 906 CE1 TYR A 61 0.276 -10.361 -1.970 1.00 0.00 C ATOM 907 CE2 TYR A 61 -1.295 -11.325 -3.497 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.172 -11.440 -2.703 1.00 0.00 C ATOM 909 OH TYR A 61 0.503 -12.637 -2.642 1.00 0.00 O ATOM 0 H TYR A 61 -0.322 -6.002 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.672 -7.297 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.216 -7.211 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.336 -7.901 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.053 -8.319 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.847 -10.033 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.155 -10.454 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.645 -12.171 -4.069 1.00 0.00 H new ATOM 0 HH TYR A 61 0.057 -13.294 -3.216 1.00 0.00 H new ATOM 919 N TRP A 62 -3.282 -5.489 -5.359 1.00 0.00 N ATOM 920 CA TRP A 62 -4.226 -4.422 -5.671 1.00 0.00 C ATOM 921 C TRP A 62 -5.239 -4.880 -6.715 1.00 0.00 C ATOM 922 O TRP A 62 -5.086 -5.944 -7.315 1.00 0.00 O ATOM 923 CB TRP A 62 -3.482 -3.184 -6.173 1.00 0.00 C ATOM 924 CG TRP A 62 -4.191 -1.900 -5.868 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.701 -1.011 -6.770 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.467 -1.361 -4.571 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.277 0.049 -6.112 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.148 -0.142 -4.762 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.208 -1.790 -3.266 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.570 0.649 -3.697 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.627 -1.002 -2.210 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.302 0.205 -2.431 1.00 0.00 C ATOM 0 H TRP A 62 -3.100 -6.130 -6.131 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.763 -4.168 -4.757 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.490 -3.158 -5.723 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.341 -3.266 -7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.658 -1.124 -7.843 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.728 0.849 -6.557 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.690 -2.720 -3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.091 1.580 -3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.430 -1.323 -1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.617 0.797 -1.585 1.00 0.00 H new ATOM 943 N GLU A 63 -6.271 -4.070 -6.928 1.00 0.00 N ATOM 944 CA GLU A 63 -7.308 -4.394 -7.900 1.00 0.00 C ATOM 945 C GLU A 63 -6.919 -3.908 -9.293 1.00 0.00 C ATOM 946 O GLU A 63 -7.247 -4.541 -10.296 1.00 0.00 O ATOM 947 CB GLU A 63 -8.642 -3.769 -7.484 1.00 0.00 C ATOM 948 CG GLU A 63 -9.683 -3.764 -8.591 1.00 0.00 C ATOM 949 CD GLU A 63 -11.064 -4.146 -8.094 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.498 -3.590 -7.064 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.710 -5.000 -8.736 1.00 0.00 O ATOM 0 H GLU A 63 -6.411 -3.185 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.416 -5.478 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.038 -4.314 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.467 -2.744 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.724 -2.772 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.378 -4.458 -9.375 1.00 0.00 H new ATOM 958 N GLU A 64 -6.218 -2.779 -9.346 1.00 0.00 N ATOM 959 CA GLU A 64 -5.786 -2.208 -10.615 1.00 0.00 C ATOM 960 C GLU A 64 -4.290 -1.908 -10.596 1.00 0.00 C ATOM 961 O GLU A 64 -3.869 -0.775 -10.828 1.00 0.00 O ATOM 962 CB GLU A 64 -6.569 -0.928 -10.917 1.00 0.00 C ATOM 963 CG GLU A 64 -8.066 -1.149 -11.053 1.00 0.00 C ATOM 964 CD GLU A 64 -8.866 0.121 -10.829 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.246 1.172 -10.563 1.00 0.00 O ATOM 966 OE2 GLU A 64 -10.110 0.063 -10.921 1.00 0.00 O ATOM 0 H GLU A 64 -5.938 -2.243 -8.525 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.983 -2.940 -11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.388 -0.205 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.190 -0.489 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.283 -1.540 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.384 -1.906 -10.336 1.00 0.00 H new ATOM 973 N CYS A 65 -3.491 -2.933 -10.317 1.00 0.00 N ATOM 974 CA CYS A 65 -2.042 -2.782 -10.265 1.00 0.00 C ATOM 975 C CYS A 65 -1.382 -3.456 -11.464 1.00 0.00 C ATOM 976 O CYS A 65 -1.820 -4.505 -11.937 1.00 0.00 O ATOM 977 CB CYS A 65 -1.492 -3.375 -8.966 1.00 0.00 C ATOM 978 SG CYS A 65 0.254 -3.886 -9.062 1.00 0.00 S ATOM 0 H CYS A 65 -3.823 -3.878 -10.123 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.811 -1.717 -10.296 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.601 -2.640 -8.169 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.097 -4.238 -8.688 1.00 0.00 H new ATOM 983 N PRO A 66 -0.302 -2.841 -11.968 1.00 0.00 N ATOM 984 CA PRO A 66 0.443 -3.364 -13.118 1.00 0.00 C ATOM 985 C PRO A 66 1.206 -4.641 -12.782 1.00 0.00 C ATOM 986 O PRO A 66 1.219 -5.591 -13.565 1.00 0.00 O ATOM 987 CB PRO A 66 1.417 -2.232 -13.454 1.00 0.00 C ATOM 988 CG PRO A 66 1.593 -1.491 -12.174 1.00 0.00 C ATOM 989 CD PRO A 66 0.276 -1.588 -11.455 1.00 0.00 C ATOM 0 HA PRO A 66 -0.217 -3.636 -13.942 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.367 -2.622 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.017 -1.585 -14.234 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.396 -1.926 -11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.861 -0.451 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.410 -1.621 -10.374 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.364 -0.732 -11.671 1.00 0.00 H new ATOM 997 N ARG A 67 1.839 -4.656 -11.614 1.00 0.00 N ATOM 998 CA ARG A 67 2.605 -5.817 -11.175 1.00 0.00 C ATOM 999 C ARG A 67 1.678 -6.969 -10.800 1.00 0.00 C ATOM 1000 O ARG A 67 2.117 -8.110 -10.660 1.00 0.00 O ATOM 1001 CB ARG A 67 3.489 -5.450 -9.982 1.00 0.00 C ATOM 1002 CG ARG A 67 3.845 -3.973 -9.919 1.00 0.00 C ATOM 1003 CD ARG A 67 5.290 -3.766 -9.492 1.00 0.00 C ATOM 1004 NE ARG A 67 5.853 -2.537 -10.045 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.124 -2.367 -11.334 1.00 0.00 C ATOM 1006 NH1 ARG A 67 5.883 -3.343 -12.199 1.00 0.00 N ATOM 1007 NH2 ARG A 67 6.635 -1.220 -11.760 1.00 0.00 N ATOM 0 H ARG A 67 1.837 -3.878 -10.954 1.00 0.00 H new ATOM 0 HA ARG A 67 3.238 -6.137 -12.002 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.978 -5.731 -9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.408 -6.035 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.684 -3.517 -10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.181 -3.467 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.345 -3.733 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.889 -4.617 -9.816 1.00 0.00 H new ATOM 0 HE ARG A 67 6.049 -1.767 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.489 -4.226 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.092 -3.211 -13.189 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.820 -0.467 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.843 -1.091 -12.750 1.00 0.00 H new ATOM 1021 N GLU A 68 0.395 -6.662 -10.638 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.592 -7.672 -10.277 1.00 0.00 C ATOM 1023 C GLU A 68 -0.051 -8.599 -9.191 1.00 0.00 C ATOM 1024 O GLU A 68 -0.506 -9.732 -9.043 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.992 -8.489 -11.507 1.00 0.00 C ATOM 1026 CG GLU A 68 -1.146 -7.655 -12.768 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.721 -8.448 -13.925 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -2.780 -9.085 -13.741 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -1.112 -8.431 -15.016 1.00 0.00 O ATOM 0 H GLU A 68 0.015 -5.722 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.472 -7.160 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.241 -9.260 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.933 -9.001 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.793 -6.803 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.174 -7.254 -13.055 1.00 0.00 H new ATOM 1036 N GLY A 69 0.925 -8.107 -8.434 1.00 0.00 N ATOM 1037 CA GLY A 69 1.513 -8.903 -7.373 1.00 0.00 C ATOM 1038 C GLY A 69 2.762 -9.636 -7.822 1.00 0.00 C ATOM 1039 O GLY A 69 2.969 -10.798 -7.471 1.00 0.00 O ATOM 0 H GLY A 69 1.319 -7.172 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.758 -8.256 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.780 -9.626 -7.016 1.00 0.00 H new ATOM 1043 N LYS A 70 3.596 -8.957 -8.602 1.00 0.00 N ATOM 1044 CA LYS A 70 4.831 -9.551 -9.101 1.00 0.00 C ATOM 1045 C LYS A 70 5.954 -9.409 -8.078 1.00 0.00 C ATOM 1046 O LYS A 70 7.127 -9.315 -8.440 1.00 0.00 O ATOM 1047 CB LYS A 70 5.242 -8.891 -10.419 1.00 0.00 C ATOM 1048 CG LYS A 70 5.141 -9.817 -11.619 1.00 0.00 C ATOM 1049 CD LYS A 70 5.818 -9.220 -12.842 1.00 0.00 C ATOM 1050 CE LYS A 70 4.901 -9.248 -14.056 1.00 0.00 C ATOM 1051 NZ LYS A 70 4.779 -10.618 -14.627 1.00 0.00 N ATOM 0 H LYS A 70 3.439 -7.995 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 70 4.651 -10.612 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.613 -8.018 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.268 -8.533 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.600 -10.776 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.092 -10.013 -11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.112 -8.192 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.731 -9.774 -13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.914 -8.883 -13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.286 -8.570 -14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.146 -10.595 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.718 -10.957 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.388 -11.260 -13.908 1.00 0.00 H new ATOM 1065 N SER A 71 5.588 -9.397 -6.801 1.00 0.00 N ATOM 1066 CA SER A 71 6.564 -9.265 -5.726 1.00 0.00 C ATOM 1067 C SER A 71 7.564 -8.154 -6.034 1.00 0.00 C ATOM 1068 O SER A 71 7.403 -7.409 -7.001 1.00 0.00 O ATOM 1069 CB SER A 71 7.304 -10.587 -5.515 1.00 0.00 C ATOM 1070 OG SER A 71 6.555 -11.677 -6.025 1.00 0.00 O ATOM 0 H SER A 71 4.622 -9.477 -6.485 1.00 0.00 H new ATOM 0 HA SER A 71 6.029 -9.006 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.275 -10.547 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.492 -10.737 -4.452 1.00 0.00 H new ATOM 0 HG SER A 71 7.050 -12.510 -5.880 1.00 0.00 H new ATOM 1076 N PHE A 72 8.597 -8.049 -5.204 1.00 0.00 N ATOM 1077 CA PHE A 72 9.623 -7.029 -5.386 1.00 0.00 C ATOM 1078 C PHE A 72 10.996 -7.562 -4.987 1.00 0.00 C ATOM 1079 O PHE A 72 11.714 -8.137 -5.805 1.00 0.00 O ATOM 1080 CB PHE A 72 9.287 -5.785 -4.562 1.00 0.00 C ATOM 1081 CG PHE A 72 8.544 -4.734 -5.337 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.180 -4.848 -5.551 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.210 -3.634 -5.852 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.493 -3.883 -6.264 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.528 -2.666 -6.565 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.169 -2.791 -6.773 1.00 0.00 C ATOM 0 H PHE A 72 8.745 -8.658 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 72 9.650 -6.760 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.688 -6.081 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.211 -5.355 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.647 -5.700 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.274 -3.532 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.429 -3.983 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.058 -1.812 -6.959 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.635 -2.037 -7.332 1.00 0.00 H new ATOM 1096 N LYS A 73 11.355 -7.366 -3.723 1.00 0.00 N ATOM 1097 CA LYS A 73 12.641 -7.826 -3.212 1.00 0.00 C ATOM 1098 C LYS A 73 12.941 -7.202 -1.853 1.00 0.00 C ATOM 1099 O LYS A 73 13.359 -7.891 -0.922 1.00 0.00 O ATOM 1100 CB LYS A 73 13.758 -7.483 -4.201 1.00 0.00 C ATOM 1101 CG LYS A 73 14.333 -8.695 -4.913 1.00 0.00 C ATOM 1102 CD LYS A 73 15.167 -8.291 -6.116 1.00 0.00 C ATOM 1103 CE LYS A 73 15.617 -9.504 -6.916 1.00 0.00 C ATOM 1104 NZ LYS A 73 15.459 -9.292 -8.382 1.00 0.00 N ATOM 0 H LYS A 73 10.773 -6.891 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 73 12.590 -8.908 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.372 -6.785 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.559 -6.971 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.948 -9.268 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.522 -9.348 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.586 -7.627 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.040 -7.730 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.661 -9.720 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.038 -10.376 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.776 -10.141 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.459 -9.111 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.032 -8.476 -8.678 1.00 0.00 H new ATOM 1118 N ALA A 74 12.725 -5.895 -1.746 1.00 0.00 N ATOM 1119 CA ALA A 74 12.970 -5.180 -0.500 1.00 0.00 C ATOM 1120 C ALA A 74 11.660 -4.836 0.202 1.00 0.00 C ATOM 1121 O ALA A 74 10.637 -4.611 -0.445 1.00 0.00 O ATOM 1122 CB ALA A 74 13.776 -3.917 -0.765 1.00 0.00 C ATOM 0 H ALA A 74 12.381 -5.310 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 74 13.544 -5.833 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.951 -3.393 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.732 -4.183 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.223 -3.268 -1.444 1.00 0.00 H new ATOM 1128 N LYS A 75 11.698 -4.799 1.530 1.00 0.00 N ATOM 1129 CA LYS A 75 10.515 -4.482 2.320 1.00 0.00 C ATOM 1130 C LYS A 75 10.034 -3.063 2.036 1.00 0.00 C ATOM 1131 O LYS A 75 8.832 -2.812 1.939 1.00 0.00 O ATOM 1132 CB LYS A 75 10.816 -4.640 3.812 1.00 0.00 C ATOM 1133 CG LYS A 75 10.520 -3.394 4.628 1.00 0.00 C ATOM 1134 CD LYS A 75 9.033 -3.083 4.653 1.00 0.00 C ATOM 1135 CE LYS A 75 8.536 -2.847 6.071 1.00 0.00 C ATOM 1136 NZ LYS A 75 9.214 -1.685 6.710 1.00 0.00 N ATOM 0 H LYS A 75 12.536 -4.985 2.081 1.00 0.00 H new ATOM 0 HA LYS A 75 9.724 -5.178 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.230 -5.470 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.866 -4.904 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.881 -3.531 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.063 -2.547 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.835 -2.200 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.480 -3.909 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.460 -2.676 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.707 -3.742 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.704 -1.419 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.193 -1.943 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.219 -0.881 6.051 1.00 0.00 H new ATOM 1150 N TYR A 76 10.979 -2.139 1.901 1.00 0.00 N ATOM 1151 CA TYR A 76 10.651 -0.744 1.628 1.00 0.00 C ATOM 1152 C TYR A 76 10.172 -0.569 0.190 1.00 0.00 C ATOM 1153 O TYR A 76 9.104 -0.009 -0.057 1.00 0.00 O ATOM 1154 CB TYR A 76 11.867 0.147 1.885 1.00 0.00 C ATOM 1155 CG TYR A 76 12.862 0.156 0.747 1.00 0.00 C ATOM 1156 CD1 TYR A 76 12.758 1.080 -0.286 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.908 -0.758 0.705 1.00 0.00 C ATOM 1158 CE1 TYR A 76 13.664 1.091 -1.328 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.820 -0.753 -0.333 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.693 0.173 -1.347 1.00 0.00 C ATOM 1161 OH TYR A 76 15.599 0.183 -2.383 1.00 0.00 O ATOM 0 H TYR A 76 11.978 -2.330 1.976 1.00 0.00 H new ATOM 0 HA TYR A 76 9.844 -0.448 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.528 1.167 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.368 -0.190 2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.955 1.802 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.010 -1.485 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 76 13.567 1.815 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.627 -1.470 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 76 16.261 -0.526 -2.245 1.00 0.00 H new ATOM 1171 N LYS A 77 10.971 -1.052 -0.755 1.00 0.00 N ATOM 1172 CA LYS A 77 10.631 -0.952 -2.169 1.00 0.00 C ATOM 1173 C LYS A 77 9.147 -1.225 -2.393 1.00 0.00 C ATOM 1174 O LYS A 77 8.462 -0.467 -3.081 1.00 0.00 O ATOM 1175 CB LYS A 77 11.470 -1.935 -2.988 1.00 0.00 C ATOM 1176 CG LYS A 77 12.827 -1.386 -3.393 1.00 0.00 C ATOM 1177 CD LYS A 77 13.134 -1.677 -4.852 1.00 0.00 C ATOM 1178 CE LYS A 77 14.614 -1.505 -5.156 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.840 -0.947 -6.518 1.00 0.00 N ATOM 0 H LYS A 77 11.859 -1.517 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 77 10.849 0.064 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.615 -2.847 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.917 -2.212 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.850 -0.310 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.601 -1.825 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.828 -2.695 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.551 -1.010 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.063 -0.844 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.117 -2.468 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.861 -0.845 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.434 -1.590 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.382 -0.016 -6.592 1.00 0.00 H new ATOM 1193 N LEU A 78 8.655 -2.311 -1.807 1.00 0.00 N ATOM 1194 CA LEU A 78 7.251 -2.684 -1.940 1.00 0.00 C ATOM 1195 C LEU A 78 6.341 -1.501 -1.623 1.00 0.00 C ATOM 1196 O LEU A 78 5.546 -1.074 -2.461 1.00 0.00 O ATOM 1197 CB LEU A 78 6.924 -3.856 -1.014 1.00 0.00 C ATOM 1198 CG LEU A 78 5.454 -4.273 -0.952 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.831 -4.240 -2.339 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.318 -5.658 -0.337 1.00 0.00 C ATOM 0 H LEU A 78 9.208 -2.949 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 78 7.077 -2.986 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.512 -4.718 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.251 -3.599 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 78 4.921 -3.563 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.785 -4.540 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.895 -3.230 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.366 -4.927 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.265 -5.938 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.865 -6.380 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.726 -5.649 0.674 1.00 0.00 H new ATOM 1212 N VAL A 79 6.465 -0.975 -0.409 1.00 0.00 N ATOM 1213 CA VAL A 79 5.657 0.161 0.017 1.00 0.00 C ATOM 1214 C VAL A 79 5.840 1.349 -0.920 1.00 0.00 C ATOM 1215 O VAL A 79 4.904 2.108 -1.166 1.00 0.00 O ATOM 1216 CB VAL A 79 6.010 0.594 1.453 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.684 2.065 1.662 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.279 -0.272 2.466 1.00 0.00 C ATOM 0 H VAL A 79 7.117 -1.317 0.297 1.00 0.00 H new ATOM 0 HA VAL A 79 4.617 -0.163 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 79 7.081 0.459 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.940 2.353 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.259 2.668 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.619 2.229 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.541 0.048 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.203 -0.172 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.568 -1.314 2.330 1.00 0.00 H new ATOM 1228 N ASN A 80 7.053 1.504 -1.441 1.00 0.00 N ATOM 1229 CA ASN A 80 7.359 2.600 -2.352 1.00 0.00 C ATOM 1230 C ASN A 80 6.443 2.567 -3.571 1.00 0.00 C ATOM 1231 O ASN A 80 5.945 3.602 -4.016 1.00 0.00 O ATOM 1232 CB ASN A 80 8.821 2.527 -2.797 1.00 0.00 C ATOM 1233 CG ASN A 80 9.672 3.614 -2.169 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.278 4.232 -1.180 1.00 0.00 O ATOM 1235 ND2 ASN A 80 10.846 3.853 -2.742 1.00 0.00 N ATOM 0 H ASN A 80 7.840 0.884 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 80 7.193 3.537 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.230 1.552 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.872 2.611 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.461 4.573 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.133 3.316 -3.561 1.00 0.00 H new ATOM 1242 N HIS A 81 6.224 1.370 -4.107 1.00 0.00 N ATOM 1243 CA HIS A 81 5.365 1.201 -5.275 1.00 0.00 C ATOM 1244 C HIS A 81 3.896 1.355 -4.896 1.00 0.00 C ATOM 1245 O HIS A 81 3.122 1.987 -5.616 1.00 0.00 O ATOM 1246 CB HIS A 81 5.599 -0.169 -5.912 1.00 0.00 C ATOM 1247 CG HIS A 81 4.528 -0.571 -6.878 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.243 0.141 -8.024 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.672 -1.619 -6.865 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.257 -0.451 -8.674 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.892 -1.522 -7.992 1.00 0.00 N ATOM 0 H HIS A 81 6.629 0.504 -3.752 1.00 0.00 H new ATOM 0 HA HIS A 81 5.618 1.977 -5.997 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.559 -0.161 -6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.667 -0.920 -5.125 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.719 0.992 -8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.613 -2.388 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.823 -0.116 -9.605 1.00 0.00 H new ATOM 1259 N ILE A 82 3.518 0.773 -3.762 1.00 0.00 N ATOM 1260 CA ILE A 82 2.142 0.846 -3.288 1.00 0.00 C ATOM 1261 C ILE A 82 1.611 2.274 -3.360 1.00 0.00 C ATOM 1262 O ILE A 82 0.468 2.503 -3.755 1.00 0.00 O ATOM 1263 CB ILE A 82 2.017 0.335 -1.841 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.226 -1.179 -1.791 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.659 0.707 -1.263 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.593 -1.694 -0.417 1.00 0.00 C ATOM 0 H ILE A 82 4.146 0.246 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 82 1.548 0.207 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 82 2.790 0.809 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.314 -1.675 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.012 -1.452 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.586 0.339 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.546 1.791 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.129 0.258 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.726 -2.775 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.521 -1.226 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.797 -1.452 0.287 1.00 0.00 H new ATOM 1278 N ARG A 83 2.449 3.231 -2.975 1.00 0.00 N ATOM 1279 CA ARG A 83 2.064 4.637 -2.996 1.00 0.00 C ATOM 1280 C ARG A 83 1.398 4.999 -4.320 1.00 0.00 C ATOM 1281 O ARG A 83 0.343 5.634 -4.343 1.00 0.00 O ATOM 1282 CB ARG A 83 3.289 5.526 -2.769 1.00 0.00 C ATOM 1283 CG ARG A 83 4.172 5.065 -1.621 1.00 0.00 C ATOM 1284 CD ARG A 83 5.101 6.175 -1.153 1.00 0.00 C ATOM 1285 NE ARG A 83 4.383 7.222 -0.432 1.00 0.00 N ATOM 1286 CZ ARG A 83 4.978 8.118 0.347 1.00 0.00 C ATOM 1287 NH1 ARG A 83 6.294 8.094 0.505 1.00 0.00 N ATOM 1288 NH2 ARG A 83 4.256 9.041 0.970 1.00 0.00 N ATOM 0 H ARG A 83 3.399 3.058 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 83 1.348 4.804 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.882 5.554 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.956 6.545 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.548 4.736 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.762 4.204 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.872 5.754 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.608 6.610 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 83 3.369 7.268 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.852 7.386 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.748 8.783 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.243 9.063 0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.714 9.729 1.568 1.00 0.00 H new ATOM 1302 N VAL A 84 2.020 4.590 -5.421 1.00 0.00 N ATOM 1303 CA VAL A 84 1.488 4.871 -6.749 1.00 0.00 C ATOM 1304 C VAL A 84 0.003 4.533 -6.828 1.00 0.00 C ATOM 1305 O VAL A 84 -0.752 5.171 -7.563 1.00 0.00 O ATOM 1306 CB VAL A 84 2.242 4.080 -7.835 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.679 2.672 -7.957 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.173 4.809 -9.168 1.00 0.00 C ATOM 0 H VAL A 84 2.893 4.063 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 84 1.625 5.938 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 84 3.289 4.002 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.224 2.128 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.785 2.154 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.624 2.724 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.711 4.237 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.131 4.919 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.628 5.795 -9.068 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.410 3.525 -6.066 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.806 3.102 -6.049 1.00 0.00 C ATOM 1320 C HIS A 85 -2.622 3.960 -5.087 1.00 0.00 C ATOM 1321 O HIS A 85 -3.726 4.398 -5.412 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.910 1.630 -5.651 1.00 0.00 C ATOM 1323 CG HIS A 85 -1.126 0.713 -6.539 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.698 1.070 -7.800 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.693 -0.554 -6.341 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.036 0.063 -8.340 1.00 0.00 C ATOM 1327 NE2 HIS A 85 -0.018 -0.935 -7.475 1.00 0.00 N ATOM 0 H HIS A 85 0.202 2.986 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.210 3.228 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.562 1.514 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.958 1.331 -5.668 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.866 1.972 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.849 -1.154 -5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.414 0.057 -9.322 1.00 0.00 H new ATOM 1335 N THR A 86 -2.071 4.197 -3.900 1.00 0.00 N ATOM 1336 CA THR A 86 -2.748 5.000 -2.890 1.00 0.00 C ATOM 1337 C THR A 86 -3.116 6.375 -3.437 1.00 0.00 C ATOM 1338 O THR A 86 -4.175 6.916 -3.122 1.00 0.00 O ATOM 1339 CB THR A 86 -1.874 5.177 -1.634 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.665 5.867 -1.972 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.538 3.829 -1.014 1.00 0.00 C ATOM 0 H THR A 86 -1.157 3.844 -3.615 1.00 0.00 H new ATOM 0 HA THR A 86 -3.658 4.464 -2.618 1.00 0.00 H new ATOM 0 HB THR A 86 -2.436 5.763 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.484 5.761 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.920 3.980 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.459 3.319 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.994 3.221 -1.737 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.235 6.935 -4.259 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.486 8.242 -4.837 1.00 0.00 C ATOM 1351 C GLY A 87 -1.860 9.363 -4.031 1.00 0.00 C ATOM 1352 O GLY A 87 -2.051 10.539 -4.340 1.00 0.00 O ATOM 0 H GLY A 87 -1.351 6.507 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.094 8.267 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.562 8.405 -4.906 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.111 8.998 -2.995 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.457 9.983 -2.142 1.00 0.00 C ATOM 1358 C GLU A 88 0.700 10.656 -2.875 1.00 0.00 C ATOM 1359 O GLU A 88 0.724 10.708 -4.105 1.00 0.00 O ATOM 1360 CB GLU A 88 0.054 9.321 -0.860 1.00 0.00 C ATOM 1361 CG GLU A 88 -0.032 10.217 0.364 1.00 0.00 C ATOM 1362 CD GLU A 88 1.265 10.259 1.148 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.156 11.053 0.782 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.388 9.496 2.130 1.00 0.00 O ATOM 0 H GLU A 88 -0.942 8.029 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.192 10.745 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.520 8.413 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.091 9.018 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.297 11.227 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.833 9.863 1.013 1.00 0.00 H new ATOM 1371 N LYS A 89 1.657 11.171 -2.112 1.00 0.00 N ATOM 1372 CA LYS A 89 2.818 11.841 -2.686 1.00 0.00 C ATOM 1373 C LYS A 89 4.099 11.075 -2.373 1.00 0.00 C ATOM 1374 O LYS A 89 4.056 9.975 -1.822 1.00 0.00 O ATOM 1375 CB LYS A 89 2.923 13.271 -2.152 1.00 0.00 C ATOM 1376 CG LYS A 89 1.774 14.167 -2.581 1.00 0.00 C ATOM 1377 CD LYS A 89 0.964 14.645 -1.388 1.00 0.00 C ATOM 1378 CE LYS A 89 1.534 15.928 -0.804 1.00 0.00 C ATOM 1379 NZ LYS A 89 0.911 16.266 0.506 1.00 0.00 N ATOM 0 H LYS A 89 1.652 11.137 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 89 2.690 11.872 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.962 13.241 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.861 13.709 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.165 15.027 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.125 13.624 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.070 14.810 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.951 13.870 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.611 15.822 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.375 16.748 -1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.326 17.147 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.114 16.392 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.085 15.495 1.182 1.00 0.00 H new ATOM 1393 N SER A 90 5.237 11.663 -2.727 1.00 0.00 N ATOM 1394 CA SER A 90 6.530 11.034 -2.486 1.00 0.00 C ATOM 1395 C SER A 90 7.569 12.070 -2.068 1.00 0.00 C ATOM 1396 O SER A 90 8.140 12.766 -2.907 1.00 0.00 O ATOM 1397 CB SER A 90 7.004 10.296 -3.740 1.00 0.00 C ATOM 1398 OG SER A 90 6.223 9.138 -3.976 1.00 0.00 O ATOM 0 H SER A 90 5.290 12.574 -3.182 1.00 0.00 H new ATOM 0 HA SER A 90 6.411 10.316 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.944 10.961 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.051 10.015 -3.627 1.00 0.00 H new ATOM 0 HG SER A 90 6.545 8.685 -4.783 1.00 0.00 H new ATOM 1404 N GLY A 91 7.808 12.167 -0.764 1.00 0.00 N ATOM 1405 CA GLY A 91 8.778 13.120 -0.257 1.00 0.00 C ATOM 1406 C GLY A 91 10.143 12.953 -0.893 1.00 0.00 C ATOM 1407 O GLY A 91 10.484 11.890 -1.413 1.00 0.00 O ATOM 0 H GLY A 91 7.347 11.603 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.417 14.132 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.867 13.003 0.823 1.00 0.00 H new ATOM 1411 N PRO A 92 10.952 14.022 -0.858 1.00 0.00 N ATOM 1412 CA PRO A 92 12.301 14.014 -1.432 1.00 0.00 C ATOM 1413 C PRO A 92 13.263 13.138 -0.638 1.00 0.00 C ATOM 1414 O PRO A 92 13.991 13.625 0.228 1.00 0.00 O ATOM 1415 CB PRO A 92 12.727 15.483 -1.356 1.00 0.00 C ATOM 1416 CG PRO A 92 11.926 16.052 -0.237 1.00 0.00 C ATOM 1417 CD PRO A 92 10.612 15.322 -0.254 1.00 0.00 C ATOM 0 HA PRO A 92 12.312 13.605 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.796 15.576 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.524 16.003 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.436 15.915 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.778 17.124 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.205 15.204 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.864 15.855 -0.841 1.00 0.00 H new ATOM 1425 N SER A 93 13.263 11.843 -0.939 1.00 0.00 N ATOM 1426 CA SER A 93 14.135 10.899 -0.250 1.00 0.00 C ATOM 1427 C SER A 93 15.566 11.004 -0.768 1.00 0.00 C ATOM 1428 O SER A 93 16.521 10.702 -0.052 1.00 0.00 O ATOM 1429 CB SER A 93 13.618 9.470 -0.432 1.00 0.00 C ATOM 1430 OG SER A 93 12.205 9.447 -0.530 1.00 0.00 O ATOM 0 H SER A 93 12.669 11.424 -1.655 1.00 0.00 H new ATOM 0 HA SER A 93 14.132 11.147 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.055 9.034 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.937 8.855 0.409 1.00 0.00 H new ATOM 0 HG SER A 93 11.900 8.523 -0.647 1.00 0.00 H new ATOM 1436 N SER A 94 15.707 11.433 -2.018 1.00 0.00 N ATOM 1437 CA SER A 94 17.021 11.575 -2.635 1.00 0.00 C ATOM 1438 C SER A 94 16.899 12.123 -4.053 1.00 0.00 C ATOM 1439 O SER A 94 15.915 11.870 -4.746 1.00 0.00 O ATOM 1440 CB SER A 94 17.745 10.227 -2.657 1.00 0.00 C ATOM 1441 OG SER A 94 18.490 10.069 -3.852 1.00 0.00 O ATOM 0 H SER A 94 14.927 11.688 -2.624 1.00 0.00 H new ATOM 0 HA SER A 94 17.600 12.281 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.411 10.154 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.019 9.419 -2.568 1.00 0.00 H new ATOM 0 HG SER A 94 18.945 9.201 -3.842 1.00 0.00 H new ATOM 1447 N GLY A 95 17.908 12.877 -4.478 1.00 0.00 N ATOM 1448 CA GLY A 95 17.896 13.451 -5.811 1.00 0.00 C ATOM 1449 C GLY A 95 18.492 12.520 -6.848 1.00 0.00 C ATOM 1450 O GLY A 95 19.698 12.581 -7.085 1.00 0.00 O ATOM 0 H GLY A 95 18.734 13.101 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.870 13.692 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.453 14.388 -5.805 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -5.750 -2.788 3.230 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.343 -2.532 -7.439 1.00 0.00 ZN