USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1058 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 76 GLN : amide:sc= -1.93 K(o=-2.4,f=-3.5) USER MOD Set 1.2: B 150 MET CE :methyl 175:sc= -0.512 (180deg=-0.279) USER MOD Set 2.1: B 105 HIS : no HD1:sc= -0.11 X(o=-1.7,f=-1.9) USER MOD Set 2.2: B 112 GLN : amide:sc= -1.64! X(o=-1.7!,f=-1.9) USER MOD Set 3.1: A 73 TYR OH : rot 144:sc= 0.552 USER MOD Set 3.2: A 77 LYS NZ :NH3+ 171:sc= 2.57 (180deg=1.43) USER MOD Set 4.1: A 54 MET CE :methyl 147:sc= -2.21 (180deg=-3.12!) USER MOD Set 4.2: A 71 LYS NZ :NH3+ -128:sc= -0.509 (180deg=-2.23) USER MOD Set 5.1: A 17 HIS : no HE2:sc= 0.702 K(o=2,f=-8.2!) USER MOD Set 5.2: A 21 LYS NZ :NH3+ 180:sc= 1.31 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0573 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 2.53 (180deg=2.22) USER MOD Single : A 7 HIS : no HE2:sc= 1.01 K(o=1,f=-3.8!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.058) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 24 GLN : amide:sc= -0.876 X(o=-0.88,f=-0.94) USER MOD Single : A 29 THR OG1 : rot -106:sc= 0.0487 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.518 (180deg=-2.41!) USER MOD Single : A 40 MET CE :methyl -135:sc= -4.68! (180deg=-6.95!) USER MOD Single : A 42 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0372 (180deg=-0.256) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 55 TYR OH : rot -30:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0022) USER MOD Single : A 60 SER OG : rot 138:sc= 0.175 USER MOD Single : A 64 TYR OH : rot 23:sc= 1.03 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -130:sc= -0.182 (180deg=-4.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl -171:sc= -0.017 (180deg=-0.171) USER MOD Single : B 104 SER OG : rot 180:sc= 0.208 USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 109 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.98) USER MOD Single : B 110 THR OG1 : rot -130:sc= -0.334 USER MOD Single : B 116 THR OG1 : rot 66:sc= 1.17 USER MOD Single : B 117 SER OG : rot 142:sc= 0.407 USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot -41:sc= 0.752 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot -82:sc= 0.485 USER MOD Single : B 128 SER OG : rot 180:sc= -0.0168 USER MOD Single : B 132 SER OG : rot 32:sc= 1.25 USER MOD Single : B 136 SER OG : rot -148:sc= 1.39 USER MOD Single : B 139 CYS SG : rot 180:sc= 0 USER MOD Single : B 141 MET CE :methyl 144:sc=-0.00678 (180deg=-2.16!) USER MOD Single : B 143 SER OG : rot 180:sc= -0.0251 USER MOD Single : B 147 SER OG : rot 84:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.870 4.952 18.947 1.00 0.00 N ATOM 2 CA GLY A 1 -17.888 4.459 17.582 1.00 0.00 C ATOM 3 C GLY A 1 -17.914 5.590 16.614 1.00 0.00 C ATOM 4 O GLY A 1 -18.519 6.627 16.892 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.524 4.390 19.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.908 4.871 19.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.165 5.949 18.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.009 3.840 17.402 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.761 3.824 17.431 1.00 0.00 H new ATOM 10 N VAL A 2 -17.246 5.427 15.505 1.00 0.00 N ATOM 11 CA VAL A 2 -17.269 6.418 14.469 1.00 0.00 C ATOM 12 C VAL A 2 -18.348 6.033 13.471 1.00 0.00 C ATOM 13 O VAL A 2 -18.478 4.856 13.102 1.00 0.00 O ATOM 14 CB VAL A 2 -15.881 6.596 13.762 1.00 0.00 C ATOM 15 CG1 VAL A 2 -14.851 7.149 14.737 1.00 0.00 C ATOM 16 CG2 VAL A 2 -15.375 5.281 13.161 1.00 0.00 C ATOM 0 H VAL A 2 -16.674 4.608 15.296 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.492 7.386 14.918 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.023 7.306 12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.894 7.266 14.228 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.185 8.118 15.108 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.735 6.460 15.574 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.411 5.448 12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.263 4.539 13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.091 4.919 12.423 1.00 0.00 H new ATOM 26 N ARG A 3 -19.146 6.975 13.071 1.00 0.00 N ATOM 27 CA ARG A 3 -20.209 6.673 12.169 1.00 0.00 C ATOM 28 C ARG A 3 -19.886 7.103 10.765 1.00 0.00 C ATOM 29 O ARG A 3 -19.774 8.292 10.461 1.00 0.00 O ATOM 30 CB ARG A 3 -21.600 7.170 12.630 1.00 0.00 C ATOM 31 CG ARG A 3 -21.829 8.684 12.731 1.00 0.00 C ATOM 32 CD ARG A 3 -21.185 9.284 13.960 1.00 0.00 C ATOM 33 NE ARG A 3 -21.678 8.669 15.202 1.00 0.00 N ATOM 34 CZ ARG A 3 -21.359 9.094 16.427 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.655 10.206 16.577 1.00 0.00 N ATOM 36 NH2 ARG A 3 -21.778 8.425 17.496 1.00 0.00 N ATOM 0 H ARG A 3 -19.081 7.953 13.354 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.290 5.586 12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -22.343 6.765 11.943 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.801 6.736 13.609 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.429 9.169 11.841 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -22.900 8.886 12.750 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.104 9.159 13.899 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -21.381 10.356 13.984 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.303 7.867 15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.358 10.736 15.758 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.410 10.532 17.512 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.345 7.585 17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.533 8.752 18.431 1.00 0.00 H new ATOM 50 N LYS A 4 -19.685 6.132 9.939 1.00 0.00 N ATOM 51 CA LYS A 4 -19.414 6.324 8.557 1.00 0.00 C ATOM 52 C LYS A 4 -19.889 5.130 7.762 1.00 0.00 C ATOM 53 O LYS A 4 -19.136 4.209 7.467 1.00 0.00 O ATOM 54 CB LYS A 4 -17.946 6.712 8.295 1.00 0.00 C ATOM 55 CG LYS A 4 -16.867 5.877 9.007 1.00 0.00 C ATOM 56 CD LYS A 4 -15.479 6.512 8.828 1.00 0.00 C ATOM 57 CE LYS A 4 -15.361 7.836 9.585 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.158 8.598 9.220 1.00 0.00 N ATOM 0 H LYS A 4 -19.706 5.151 10.218 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.985 7.183 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.766 6.654 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.814 7.755 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.102 5.800 10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.862 4.863 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.714 5.821 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.290 6.681 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.244 8.443 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.347 7.636 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.244 9.573 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.321 8.149 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.057 8.612 8.185 1.00 0.00 H new ATOM 72 N GLY A 5 -21.177 5.167 7.437 1.00 0.00 N ATOM 73 CA GLY A 5 -21.890 4.065 6.792 1.00 0.00 C ATOM 74 C GLY A 5 -21.351 3.643 5.436 1.00 0.00 C ATOM 75 O GLY A 5 -21.777 2.608 4.896 1.00 0.00 O ATOM 0 H GLY A 5 -21.768 5.979 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.868 3.202 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.935 4.350 6.675 1.00 0.00 H new ATOM 79 N TRP A 6 -20.410 4.411 4.891 1.00 0.00 N ATOM 80 CA TRP A 6 -19.785 4.089 3.620 1.00 0.00 C ATOM 81 C TRP A 6 -19.028 2.766 3.691 1.00 0.00 C ATOM 82 O TRP A 6 -18.684 2.197 2.655 1.00 0.00 O ATOM 83 CB TRP A 6 -18.844 5.210 3.134 1.00 0.00 C ATOM 84 CG TRP A 6 -17.670 5.488 4.016 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.578 6.472 4.931 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.415 4.788 4.053 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.349 6.447 5.521 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.626 5.417 5.015 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.889 3.692 3.368 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.346 4.993 5.311 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.616 3.276 3.667 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.864 3.920 4.626 1.00 0.00 C ATOM 0 H TRP A 6 -20.064 5.269 5.320 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.593 3.991 2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.477 4.949 2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.423 6.127 3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.362 7.177 5.163 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.024 7.101 6.233 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.473 3.181 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.749 5.494 6.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.197 2.430 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.867 3.564 4.839 1.00 0.00 H new ATOM 103 N HIS A 7 -18.755 2.281 4.915 1.00 0.00 N ATOM 104 CA HIS A 7 -18.062 0.994 5.105 1.00 0.00 C ATOM 105 C HIS A 7 -18.818 -0.200 4.492 1.00 0.00 C ATOM 106 O HIS A 7 -18.269 -1.287 4.380 1.00 0.00 O ATOM 107 CB HIS A 7 -17.692 0.704 6.588 1.00 0.00 C ATOM 108 CG HIS A 7 -18.829 0.707 7.586 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.907 -0.155 7.563 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.025 1.499 8.660 1.00 0.00 C ATOM 111 CE1 HIS A 7 -20.696 0.145 8.590 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.208 1.140 9.291 1.00 0.00 N ATOM 0 H HIS A 7 -19.002 2.757 5.783 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.128 1.108 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.203 -0.269 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.958 1.444 6.906 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.070 -0.893 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.363 2.291 8.980 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.620 -0.365 8.818 1.00 0.00 H new ATOM 120 N GLU A 8 -20.060 0.010 4.103 1.00 0.00 N ATOM 121 CA GLU A 8 -20.855 -1.040 3.476 1.00 0.00 C ATOM 122 C GLU A 8 -20.669 -1.014 1.968 1.00 0.00 C ATOM 123 O GLU A 8 -21.116 -1.909 1.261 1.00 0.00 O ATOM 124 CB GLU A 8 -22.334 -0.841 3.795 1.00 0.00 C ATOM 125 CG GLU A 8 -22.631 -0.768 5.273 1.00 0.00 C ATOM 126 CD GLU A 8 -22.256 -2.025 6.009 1.00 0.00 C ATOM 127 OE1 GLU A 8 -21.067 -2.245 6.266 1.00 0.00 O ATOM 128 OE2 GLU A 8 -23.157 -2.814 6.362 1.00 0.00 O ATOM 0 H GLU A 8 -20.547 0.900 4.208 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.521 -2.001 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.679 0.076 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.904 -1.661 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.092 0.075 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.694 -0.573 5.416 1.00 0.00 H new ATOM 135 N HIS A 9 -19.997 0.010 1.492 1.00 0.00 N ATOM 136 CA HIS A 9 -19.833 0.240 0.062 1.00 0.00 C ATOM 137 C HIS A 9 -18.410 -0.059 -0.379 1.00 0.00 C ATOM 138 O HIS A 9 -17.982 0.304 -1.485 1.00 0.00 O ATOM 139 CB HIS A 9 -20.167 1.693 -0.277 1.00 0.00 C ATOM 140 CG HIS A 9 -21.600 2.084 -0.053 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.517 2.253 -1.059 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.255 2.370 1.098 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.669 2.628 -0.514 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.568 2.714 0.800 1.00 0.00 N ATOM 0 H HIS A 9 -19.546 0.711 2.080 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.513 -0.429 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.530 2.345 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.916 1.873 -1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.826 2.336 2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.570 2.835 -1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.301 2.978 1.459 1.00 0.00 H new ATOM 152 N VAL A 10 -17.689 -0.703 0.468 1.00 0.00 N ATOM 153 CA VAL A 10 -16.321 -1.037 0.218 1.00 0.00 C ATOM 154 C VAL A 10 -16.098 -2.496 0.604 1.00 0.00 C ATOM 155 O VAL A 10 -16.167 -2.886 1.780 1.00 0.00 O ATOM 156 CB VAL A 10 -15.389 -0.051 0.977 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.693 0.019 2.452 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.925 -0.317 0.706 1.00 0.00 C ATOM 0 H VAL A 10 -18.034 -1.021 1.373 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.078 -0.935 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.605 0.938 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.012 0.722 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.720 0.353 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.567 -0.968 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.317 0.398 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.674 -1.329 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.728 -0.212 -0.361 1.00 0.00 H new ATOM 168 N THR A 11 -15.887 -3.288 -0.394 1.00 0.00 N ATOM 169 CA THR A 11 -15.782 -4.703 -0.255 1.00 0.00 C ATOM 170 C THR A 11 -14.376 -5.085 0.212 1.00 0.00 C ATOM 171 O THR A 11 -13.403 -4.346 -0.048 1.00 0.00 O ATOM 172 CB THR A 11 -16.048 -5.341 -1.625 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.125 -4.625 -2.272 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.456 -6.790 -1.456 1.00 0.00 C ATOM 0 H THR A 11 -15.780 -2.961 -1.354 1.00 0.00 H new ATOM 0 HA THR A 11 -16.504 -5.055 0.482 1.00 0.00 H new ATOM 0 HB THR A 11 -15.140 -5.292 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.302 -5.024 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.642 -7.232 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.656 -7.337 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.363 -6.845 -0.855 1.00 0.00 H new ATOM 182 N GLN A 12 -14.260 -6.236 0.877 1.00 0.00 N ATOM 183 CA GLN A 12 -12.986 -6.734 1.347 1.00 0.00 C ATOM 184 C GLN A 12 -12.030 -6.933 0.179 1.00 0.00 C ATOM 185 O GLN A 12 -10.851 -6.683 0.298 1.00 0.00 O ATOM 186 CB GLN A 12 -13.152 -8.010 2.209 1.00 0.00 C ATOM 187 CG GLN A 12 -11.839 -8.594 2.741 1.00 0.00 C ATOM 188 CD GLN A 12 -11.360 -9.848 2.007 1.00 0.00 C ATOM 189 OE1 GLN A 12 -10.665 -10.676 2.582 1.00 0.00 O ATOM 190 NE2 GLN A 12 -11.756 -10.031 0.777 1.00 0.00 N ATOM 0 H GLN A 12 -15.051 -6.841 1.100 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.544 -5.985 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.801 -7.780 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.659 -8.771 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.063 -7.831 2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.963 -8.832 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.335 -9.328 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.487 -10.877 0.275 1.00 0.00 H new ATOM 199 N ASP A 13 -12.571 -7.333 -0.951 1.00 0.00 N ATOM 200 CA ASP A 13 -11.798 -7.503 -2.187 1.00 0.00 C ATOM 201 C ASP A 13 -11.115 -6.199 -2.620 1.00 0.00 C ATOM 202 O ASP A 13 -9.944 -6.208 -2.985 1.00 0.00 O ATOM 203 CB ASP A 13 -12.692 -8.044 -3.310 1.00 0.00 C ATOM 204 CG ASP A 13 -11.994 -8.102 -4.657 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.034 -8.886 -4.818 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.417 -7.388 -5.591 1.00 0.00 O ATOM 0 H ASP A 13 -13.562 -7.553 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.011 -8.229 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.035 -9.044 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.578 -7.415 -3.394 1.00 0.00 H new ATOM 211 N LEU A 14 -11.817 -5.067 -2.461 1.00 0.00 N ATOM 212 CA LEU A 14 -11.288 -3.768 -2.895 1.00 0.00 C ATOM 213 C LEU A 14 -10.157 -3.408 -1.990 1.00 0.00 C ATOM 214 O LEU A 14 -9.045 -3.161 -2.423 1.00 0.00 O ATOM 215 CB LEU A 14 -12.414 -2.685 -2.829 1.00 0.00 C ATOM 216 CG LEU A 14 -12.082 -1.195 -3.202 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.347 -0.481 -2.097 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.272 -1.099 -4.474 1.00 0.00 C ATOM 0 H LEU A 14 -12.745 -5.026 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.936 -3.821 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.221 -3.013 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.809 -2.686 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.045 -0.708 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.140 0.545 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.961 -0.475 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.408 -0.996 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.065 -0.052 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.332 -1.636 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.834 -1.539 -5.297 1.00 0.00 H new ATOM 230 N ARG A 15 -10.445 -3.457 -0.729 1.00 0.00 N ATOM 231 CA ARG A 15 -9.509 -3.062 0.262 1.00 0.00 C ATOM 232 C ARG A 15 -8.295 -3.951 0.308 1.00 0.00 C ATOM 233 O ARG A 15 -7.191 -3.463 0.322 1.00 0.00 O ATOM 234 CB ARG A 15 -10.175 -2.934 1.592 1.00 0.00 C ATOM 235 CG ARG A 15 -10.888 -4.134 2.082 1.00 0.00 C ATOM 236 CD ARG A 15 -11.774 -3.746 3.208 1.00 0.00 C ATOM 237 NE ARG A 15 -11.001 -3.022 4.249 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.240 -3.000 5.564 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.286 -3.645 6.087 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.407 -2.342 6.350 1.00 0.00 N ATOM 0 H ARG A 15 -11.342 -3.774 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.133 -2.078 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.420 -2.659 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.886 -2.109 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.475 -4.578 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.173 -4.889 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.583 -3.114 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.234 -4.635 3.640 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.199 -2.482 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.919 -4.166 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.452 -3.616 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.600 -1.863 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.571 -2.313 7.356 1.00 0.00 H new ATOM 254 N SER A 16 -8.501 -5.252 0.244 1.00 0.00 N ATOM 255 CA SER A 16 -7.413 -6.196 0.278 1.00 0.00 C ATOM 256 C SER A 16 -6.557 -6.056 -0.985 1.00 0.00 C ATOM 257 O SER A 16 -5.349 -6.334 -0.967 1.00 0.00 O ATOM 258 CB SER A 16 -7.961 -7.616 0.442 1.00 0.00 C ATOM 259 OG SER A 16 -6.935 -8.591 0.488 1.00 0.00 O ATOM 0 H SER A 16 -9.425 -5.678 0.167 1.00 0.00 H new ATOM 0 HA SER A 16 -6.772 -5.987 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.551 -7.671 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.634 -7.840 -0.386 1.00 0.00 H new ATOM 0 HG SER A 16 -7.333 -9.480 0.595 1.00 0.00 H new ATOM 265 N HIS A 17 -7.174 -5.594 -2.072 1.00 0.00 N ATOM 266 CA HIS A 17 -6.455 -5.338 -3.303 1.00 0.00 C ATOM 267 C HIS A 17 -5.500 -4.155 -3.086 1.00 0.00 C ATOM 268 O HIS A 17 -4.323 -4.202 -3.465 1.00 0.00 O ATOM 269 CB HIS A 17 -7.432 -5.010 -4.441 1.00 0.00 C ATOM 270 CG HIS A 17 -6.794 -5.020 -5.786 1.00 0.00 C ATOM 271 ND1 HIS A 17 -6.754 -6.118 -6.610 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.120 -4.046 -6.421 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.056 -5.798 -7.695 1.00 0.00 C ATOM 274 NE2 HIS A 17 -5.638 -4.537 -7.635 1.00 0.00 N ATOM 0 H HIS A 17 -8.173 -5.391 -2.117 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.891 -6.229 -3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.249 -5.732 -4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.871 -4.029 -4.262 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.185 -7.023 -6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.974 -3.042 -6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.855 -6.472 -8.515 1.00 0.00 H new ATOM 282 N LEU A 18 -6.024 -3.113 -2.476 1.00 0.00 N ATOM 283 CA LEU A 18 -5.254 -1.918 -2.138 1.00 0.00 C ATOM 284 C LEU A 18 -4.161 -2.277 -1.127 1.00 0.00 C ATOM 285 O LEU A 18 -3.032 -1.809 -1.230 1.00 0.00 O ATOM 286 CB LEU A 18 -6.196 -0.797 -1.617 1.00 0.00 C ATOM 287 CG LEU A 18 -6.990 0.044 -2.677 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.617 -0.792 -3.770 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.087 0.807 -2.006 1.00 0.00 C ATOM 0 H LEU A 18 -7.003 -3.064 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.764 -1.531 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.920 -1.255 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.598 -0.107 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.256 0.706 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.149 -0.142 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.838 -1.335 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.317 -1.502 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.633 1.388 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.768 0.111 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.660 1.479 -1.262 1.00 0.00 H new ATOM 301 N VAL A 19 -4.506 -3.151 -0.190 1.00 0.00 N ATOM 302 CA VAL A 19 -3.563 -3.707 0.793 1.00 0.00 C ATOM 303 C VAL A 19 -2.402 -4.422 0.065 1.00 0.00 C ATOM 304 O VAL A 19 -1.229 -4.202 0.375 1.00 0.00 O ATOM 305 CB VAL A 19 -4.278 -4.744 1.734 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.312 -5.438 2.617 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.321 -4.101 2.597 1.00 0.00 C ATOM 0 H VAL A 19 -5.458 -3.503 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.181 -2.881 1.393 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.755 -5.464 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.844 -6.146 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.582 -5.973 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.798 -4.706 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.787 -4.857 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.856 -3.340 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.080 -3.638 1.966 1.00 0.00 H new ATOM 317 N HIS A 20 -2.759 -5.268 -0.896 1.00 0.00 N ATOM 318 CA HIS A 20 -1.798 -6.002 -1.724 1.00 0.00 C ATOM 319 C HIS A 20 -0.833 -5.034 -2.401 1.00 0.00 C ATOM 320 O HIS A 20 0.381 -5.232 -2.401 1.00 0.00 O ATOM 321 CB HIS A 20 -2.561 -6.848 -2.773 1.00 0.00 C ATOM 322 CG HIS A 20 -1.711 -7.417 -3.872 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.804 -7.006 -5.179 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.734 -8.353 -3.838 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.911 -7.669 -5.891 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.220 -8.515 -5.130 1.00 0.00 N ATOM 0 H HIS A 20 -3.732 -5.468 -1.127 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.213 -6.671 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.062 -7.669 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.339 -6.229 -3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.405 -8.887 -2.959 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.761 -7.541 -6.953 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.525 -9.146 -5.425 1.00 0.00 H new ATOM 334 N LYS A 21 -1.382 -3.991 -2.949 1.00 0.00 N ATOM 335 CA LYS A 21 -0.600 -2.976 -3.589 1.00 0.00 C ATOM 336 C LYS A 21 0.288 -2.232 -2.596 1.00 0.00 C ATOM 337 O LYS A 21 1.439 -1.925 -2.915 1.00 0.00 O ATOM 338 CB LYS A 21 -1.493 -2.057 -4.400 1.00 0.00 C ATOM 339 CG LYS A 21 -1.784 -2.595 -5.793 1.00 0.00 C ATOM 340 CD LYS A 21 -2.949 -1.874 -6.439 1.00 0.00 C ATOM 341 CE LYS A 21 -2.959 -2.027 -7.965 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.103 -3.421 -8.421 1.00 0.00 N ATOM 0 H LYS A 21 -2.387 -3.820 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 21 0.086 -3.454 -4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.433 -1.910 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.019 -1.079 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.897 -2.487 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.004 -3.661 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.883 -2.261 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.904 -0.815 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.776 -1.434 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.033 -1.616 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.102 -3.448 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.310 -3.988 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.999 -3.812 -8.066 1.00 0.00 H new ATOM 356 N LEU A 22 -0.236 -1.970 -1.387 1.00 0.00 N ATOM 357 CA LEU A 22 0.550 -1.356 -0.303 1.00 0.00 C ATOM 358 C LEU A 22 1.775 -2.205 -0.014 1.00 0.00 C ATOM 359 O LEU A 22 2.873 -1.687 0.127 1.00 0.00 O ATOM 360 CB LEU A 22 -0.294 -1.181 0.972 1.00 0.00 C ATOM 361 CG LEU A 22 -1.404 -0.126 0.920 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.263 -0.193 2.168 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.798 1.240 0.830 1.00 0.00 C ATOM 0 H LEU A 22 -1.203 -2.174 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 22 0.866 -0.365 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.748 -2.142 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.377 -0.929 1.793 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.022 -0.324 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.045 0.564 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.718 -1.181 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.644 -0.011 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.590 1.988 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.171 1.418 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.191 1.310 -0.073 1.00 0.00 H new ATOM 375 N VAL A 23 1.556 -3.507 0.053 1.00 0.00 N ATOM 376 CA VAL A 23 2.611 -4.508 0.172 1.00 0.00 C ATOM 377 C VAL A 23 3.650 -4.340 -0.935 1.00 0.00 C ATOM 378 O VAL A 23 4.829 -4.293 -0.659 1.00 0.00 O ATOM 379 CB VAL A 23 2.019 -5.938 0.073 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.111 -6.956 -0.194 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.292 -6.291 1.356 1.00 0.00 C ATOM 0 H VAL A 23 0.620 -3.910 0.026 1.00 0.00 H new ATOM 0 HA VAL A 23 3.085 -4.367 1.143 1.00 0.00 H new ATOM 0 HB VAL A 23 1.314 -5.958 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.672 -7.952 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.610 -6.717 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.837 -6.932 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.880 -7.297 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.990 -6.250 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.483 -5.580 1.523 1.00 0.00 H new ATOM 391 N GLN A 24 3.207 -4.232 -2.174 1.00 0.00 N ATOM 392 CA GLN A 24 4.149 -4.157 -3.280 1.00 0.00 C ATOM 393 C GLN A 24 4.926 -2.838 -3.302 1.00 0.00 C ATOM 394 O GLN A 24 6.028 -2.783 -3.848 1.00 0.00 O ATOM 395 CB GLN A 24 3.495 -4.439 -4.627 1.00 0.00 C ATOM 396 CG GLN A 24 2.679 -5.724 -4.663 1.00 0.00 C ATOM 397 CD GLN A 24 2.407 -6.206 -6.069 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.454 -5.795 -6.714 1.00 0.00 O ATOM 399 NE2 GLN A 24 3.219 -7.118 -6.537 1.00 0.00 N ATOM 0 H GLN A 24 2.223 -4.195 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 24 4.873 -4.952 -3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.847 -3.602 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.270 -4.491 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.210 -6.502 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.731 -5.562 -4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.005 -7.439 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.066 -7.508 -7.467 1.00 0.00 H new ATOM 408 N ALA A 25 4.342 -1.781 -2.735 1.00 0.00 N ATOM 409 CA ALA A 25 5.050 -0.525 -2.593 1.00 0.00 C ATOM 410 C ALA A 25 6.008 -0.577 -1.413 1.00 0.00 C ATOM 411 O ALA A 25 7.102 -0.101 -1.498 1.00 0.00 O ATOM 412 CB ALA A 25 4.083 0.600 -2.394 1.00 0.00 C ATOM 0 H ALA A 25 3.389 -1.777 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 25 5.619 -0.356 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.631 1.536 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.417 0.664 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.496 0.420 -1.493 1.00 0.00 H new ATOM 418 N ILE A 26 5.576 -1.150 -0.295 1.00 0.00 N ATOM 419 CA ILE A 26 6.461 -1.236 0.872 1.00 0.00 C ATOM 420 C ILE A 26 7.592 -2.240 0.636 1.00 0.00 C ATOM 421 O ILE A 26 8.737 -2.010 1.012 1.00 0.00 O ATOM 422 CB ILE A 26 5.720 -1.588 2.228 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.736 -1.576 3.395 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.992 -2.924 2.158 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.208 -2.105 4.706 1.00 0.00 C ATOM 0 H ILE A 26 4.647 -1.552 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 26 6.868 -0.231 0.987 1.00 0.00 H new ATOM 0 HB ILE A 26 4.960 -0.826 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.605 -2.166 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.081 -0.553 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.500 -3.121 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.246 -2.891 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.709 -3.718 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.993 -2.056 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.358 -1.502 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.891 -3.140 4.579 1.00 0.00 H new ATOM 437 N PHE A 27 7.268 -3.311 0.000 1.00 0.00 N ATOM 438 CA PHE A 27 8.173 -4.375 -0.227 1.00 0.00 C ATOM 439 C PHE A 27 8.229 -4.674 -1.703 1.00 0.00 C ATOM 440 O PHE A 27 7.296 -5.287 -2.254 1.00 0.00 O ATOM 441 CB PHE A 27 7.664 -5.601 0.514 1.00 0.00 C ATOM 442 CG PHE A 27 8.445 -6.880 0.353 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.681 -7.041 0.942 1.00 0.00 C ATOM 444 CD2 PHE A 27 7.912 -7.932 -0.378 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.378 -8.232 0.798 1.00 0.00 C ATOM 446 CE2 PHE A 27 8.601 -9.117 -0.524 1.00 0.00 C ATOM 447 CZ PHE A 27 9.838 -9.266 0.064 1.00 0.00 C ATOM 0 H PHE A 27 6.338 -3.472 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 27 9.169 -4.106 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.625 -5.361 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.640 -5.789 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.109 -6.235 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.942 -7.821 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.346 -8.349 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.173 -9.926 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.383 -10.191 -0.050 1.00 0.00 H new ATOM 457 N PRO A 28 9.242 -4.169 -2.400 1.00 0.00 N ATOM 458 CA PRO A 28 9.499 -4.568 -3.770 1.00 0.00 C ATOM 459 C PRO A 28 9.770 -6.075 -3.803 1.00 0.00 C ATOM 460 O PRO A 28 10.857 -6.535 -3.435 1.00 0.00 O ATOM 461 CB PRO A 28 10.768 -3.781 -4.136 1.00 0.00 C ATOM 462 CG PRO A 28 11.345 -3.404 -2.812 1.00 0.00 C ATOM 463 CD PRO A 28 10.182 -3.130 -1.949 1.00 0.00 C ATOM 0 HA PRO A 28 8.674 -4.371 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.462 -4.388 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.535 -2.902 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.957 -4.209 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.988 -2.528 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.423 -3.225 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.787 -2.125 -2.097 1.00 0.00 H new ATOM 471 N THR A 29 8.757 -6.827 -4.128 1.00 0.00 N ATOM 472 CA THR A 29 8.860 -8.249 -4.131 1.00 0.00 C ATOM 473 C THR A 29 9.639 -8.732 -5.362 1.00 0.00 C ATOM 474 O THR A 29 9.465 -8.197 -6.462 1.00 0.00 O ATOM 475 CB THR A 29 7.453 -8.919 -4.032 1.00 0.00 C ATOM 476 OG1 THR A 29 7.579 -10.327 -3.844 1.00 0.00 O ATOM 477 CG2 THR A 29 6.595 -8.643 -5.257 1.00 0.00 C ATOM 0 H THR A 29 7.841 -6.468 -4.397 1.00 0.00 H new ATOM 0 HA THR A 29 9.419 -8.554 -3.246 1.00 0.00 H new ATOM 0 HB THR A 29 6.955 -8.478 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.346 -10.790 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.627 -9.130 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.450 -7.568 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.093 -9.033 -6.145 1.00 0.00 H new ATOM 485 N PRO A 30 10.553 -9.698 -5.179 1.00 0.00 N ATOM 486 CA PRO A 30 11.346 -10.252 -6.282 1.00 0.00 C ATOM 487 C PRO A 30 10.534 -11.240 -7.121 1.00 0.00 C ATOM 488 O PRO A 30 10.859 -11.520 -8.284 1.00 0.00 O ATOM 489 CB PRO A 30 12.472 -10.993 -5.551 1.00 0.00 C ATOM 490 CG PRO A 30 11.858 -11.411 -4.257 1.00 0.00 C ATOM 491 CD PRO A 30 10.922 -10.299 -3.874 1.00 0.00 C ATOM 0 HA PRO A 30 11.690 -9.485 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.819 -11.853 -6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.335 -10.347 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.322 -12.354 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.620 -11.562 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.048 -10.675 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.406 -9.574 -3.220 1.00 0.00 H new ATOM 499 N ASP A 31 9.484 -11.766 -6.526 1.00 0.00 N ATOM 500 CA ASP A 31 8.653 -12.763 -7.159 1.00 0.00 C ATOM 501 C ASP A 31 7.317 -12.750 -6.487 1.00 0.00 C ATOM 502 O ASP A 31 7.250 -12.562 -5.274 1.00 0.00 O ATOM 503 CB ASP A 31 9.244 -14.143 -6.950 1.00 0.00 C ATOM 504 CG ASP A 31 8.580 -15.214 -7.780 1.00 0.00 C ATOM 505 OD1 ASP A 31 8.998 -15.429 -8.933 1.00 0.00 O ATOM 506 OD2 ASP A 31 7.659 -15.889 -7.274 1.00 0.00 O ATOM 0 H ASP A 31 9.183 -11.511 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 31 8.578 -12.544 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.307 -14.115 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.163 -14.409 -5.896 1.00 0.00 H new ATOM 511 N PRO A 32 6.236 -12.921 -7.225 1.00 0.00 N ATOM 512 CA PRO A 32 4.892 -12.999 -6.658 1.00 0.00 C ATOM 513 C PRO A 32 4.713 -14.085 -5.575 1.00 0.00 C ATOM 514 O PRO A 32 3.786 -14.016 -4.773 1.00 0.00 O ATOM 515 CB PRO A 32 3.997 -13.313 -7.844 1.00 0.00 C ATOM 516 CG PRO A 32 4.915 -13.671 -8.960 1.00 0.00 C ATOM 517 CD PRO A 32 6.194 -12.963 -8.692 1.00 0.00 C ATOM 0 HA PRO A 32 4.658 -12.065 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.319 -14.136 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.379 -12.454 -8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.070 -14.749 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.497 -13.368 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.048 -13.498 -9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.203 -11.963 -9.127 1.00 0.00 H new ATOM 525 N ALA A 33 5.584 -15.078 -5.530 1.00 0.00 N ATOM 526 CA ALA A 33 5.447 -16.103 -4.516 1.00 0.00 C ATOM 527 C ALA A 33 6.039 -15.668 -3.179 1.00 0.00 C ATOM 528 O ALA A 33 5.813 -16.299 -2.157 1.00 0.00 O ATOM 529 CB ALA A 33 5.998 -17.432 -4.961 1.00 0.00 C ATOM 0 H ALA A 33 6.373 -15.194 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 33 4.376 -16.242 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.870 -18.164 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.465 -17.767 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.058 -17.328 -5.191 1.00 0.00 H new ATOM 535 N ALA A 34 6.753 -14.558 -3.172 1.00 0.00 N ATOM 536 CA ALA A 34 7.263 -14.013 -1.919 1.00 0.00 C ATOM 537 C ALA A 34 6.126 -13.291 -1.196 1.00 0.00 C ATOM 538 O ALA A 34 6.238 -12.885 -0.041 1.00 0.00 O ATOM 539 CB ALA A 34 8.438 -13.080 -2.168 1.00 0.00 C ATOM 0 H ALA A 34 6.993 -14.020 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 34 7.629 -14.826 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.799 -12.688 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.240 -13.629 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.118 -12.254 -2.803 1.00 0.00 H new ATOM 545 N LEU A 35 5.006 -13.193 -1.890 1.00 0.00 N ATOM 546 CA LEU A 35 3.823 -12.536 -1.395 1.00 0.00 C ATOM 547 C LEU A 35 2.926 -13.537 -0.677 1.00 0.00 C ATOM 548 O LEU A 35 1.807 -13.224 -0.314 1.00 0.00 O ATOM 549 CB LEU A 35 3.067 -11.945 -2.559 1.00 0.00 C ATOM 550 CG LEU A 35 3.865 -11.009 -3.436 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.107 -10.717 -4.687 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.181 -9.732 -2.703 1.00 0.00 C ATOM 0 H LEU A 35 4.898 -13.576 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 35 4.115 -11.753 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.687 -12.759 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.201 -11.406 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 35 4.807 -11.492 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.688 -10.042 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.923 -11.646 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.155 -10.250 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.756 -9.072 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.253 -9.239 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.763 -9.960 -1.810 1.00 0.00 H new ATOM 564 N LYS A 36 3.410 -14.750 -0.529 1.00 0.00 N ATOM 565 CA LYS A 36 2.707 -15.793 0.208 1.00 0.00 C ATOM 566 C LYS A 36 3.705 -16.464 1.152 1.00 0.00 C ATOM 567 O LYS A 36 3.573 -17.626 1.528 1.00 0.00 O ATOM 568 CB LYS A 36 2.059 -16.809 -0.768 1.00 0.00 C ATOM 569 CG LYS A 36 3.035 -17.458 -1.731 1.00 0.00 C ATOM 570 CD LYS A 36 2.410 -18.506 -2.679 1.00 0.00 C ATOM 571 CE LYS A 36 1.460 -17.931 -3.745 1.00 0.00 C ATOM 572 NZ LYS A 36 0.148 -17.487 -3.215 1.00 0.00 N ATOM 0 H LYS A 36 4.305 -15.049 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 36 1.894 -15.364 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.566 -17.589 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.284 -16.301 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.503 -16.678 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.828 -17.936 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.213 -19.045 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.863 -19.235 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.947 -17.086 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.292 -18.687 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.609 -17.797 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.005 -17.903 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.136 -16.450 -3.141 1.00 0.00 H new ATOM 586 N ASP A 37 4.700 -15.702 1.524 1.00 0.00 N ATOM 587 CA ASP A 37 5.791 -16.159 2.390 1.00 0.00 C ATOM 588 C ASP A 37 5.446 -15.855 3.843 1.00 0.00 C ATOM 589 O ASP A 37 4.465 -15.175 4.117 1.00 0.00 O ATOM 590 CB ASP A 37 7.040 -15.383 2.013 1.00 0.00 C ATOM 591 CG ASP A 37 8.299 -15.883 2.633 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.820 -16.905 2.198 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.790 -15.234 3.565 1.00 0.00 O ATOM 0 H ASP A 37 4.790 -14.727 1.237 1.00 0.00 H new ATOM 0 HA ASP A 37 5.946 -17.231 2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.152 -15.406 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.902 -14.340 2.297 1.00 0.00 H new ATOM 598 N ARG A 38 6.253 -16.324 4.766 1.00 0.00 N ATOM 599 CA ARG A 38 6.034 -16.047 6.179 1.00 0.00 C ATOM 600 C ARG A 38 6.343 -14.588 6.486 1.00 0.00 C ATOM 601 O ARG A 38 5.788 -14.006 7.392 1.00 0.00 O ATOM 602 CB ARG A 38 6.828 -17.017 7.061 1.00 0.00 C ATOM 603 CG ARG A 38 8.310 -16.699 7.361 1.00 0.00 C ATOM 604 CD ARG A 38 9.190 -16.817 6.138 1.00 0.00 C ATOM 605 NE ARG A 38 10.608 -16.633 6.448 1.00 0.00 N ATOM 606 CZ ARG A 38 11.552 -16.353 5.543 1.00 0.00 C ATOM 607 NH1 ARG A 38 11.220 -16.016 4.307 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.821 -16.363 5.894 1.00 0.00 N ATOM 0 H ARG A 38 7.071 -16.901 4.570 1.00 0.00 H new ATOM 0 HA ARG A 38 4.982 -16.210 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.307 -17.099 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.789 -18.000 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.387 -15.689 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.674 -17.377 8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.045 -17.797 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.883 -16.075 5.401 1.00 0.00 H new ATOM 0 HE ARG A 38 10.897 -16.725 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.237 -15.968 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.947 -15.804 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.083 -16.584 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.542 -16.150 5.205 1.00 0.00 H new ATOM 622 N ARG A 39 7.202 -13.998 5.683 1.00 0.00 N ATOM 623 CA ARG A 39 7.520 -12.599 5.808 1.00 0.00 C ATOM 624 C ARG A 39 6.336 -11.748 5.329 1.00 0.00 C ATOM 625 O ARG A 39 6.109 -10.617 5.805 1.00 0.00 O ATOM 626 CB ARG A 39 8.770 -12.312 5.007 1.00 0.00 C ATOM 627 CG ARG A 39 9.085 -10.858 4.858 1.00 0.00 C ATOM 628 CD ARG A 39 10.394 -10.675 4.184 1.00 0.00 C ATOM 629 NE ARG A 39 11.517 -10.901 5.099 1.00 0.00 N ATOM 630 CZ ARG A 39 12.711 -11.367 4.751 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.873 -12.000 3.601 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.723 -11.258 5.594 1.00 0.00 N ATOM 0 H ARG A 39 7.696 -14.476 4.929 1.00 0.00 H new ATOM 0 HA ARG A 39 7.706 -12.344 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.615 -12.808 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.661 -12.752 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.301 -10.368 4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.105 -10.382 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.468 -11.363 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.455 -9.666 3.777 1.00 0.00 H new ATOM 0 HE ARG A 39 11.369 -10.682 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.078 -12.133 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.793 -12.355 3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.584 -10.819 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.643 -11.613 5.335 1.00 0.00 H new ATOM 646 N MET A 40 5.558 -12.314 4.425 1.00 0.00 N ATOM 647 CA MET A 40 4.379 -11.657 3.881 1.00 0.00 C ATOM 648 C MET A 40 3.413 -11.272 4.976 1.00 0.00 C ATOM 649 O MET A 40 2.869 -10.186 4.928 1.00 0.00 O ATOM 650 CB MET A 40 3.709 -12.544 2.808 1.00 0.00 C ATOM 651 CG MET A 40 2.194 -12.350 2.578 1.00 0.00 C ATOM 652 SD MET A 40 1.680 -10.646 2.285 1.00 0.00 S ATOM 653 CE MET A 40 2.821 -10.138 1.044 1.00 0.00 C ATOM 0 H MET A 40 5.725 -13.246 4.045 1.00 0.00 H new ATOM 0 HA MET A 40 4.694 -10.733 3.396 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.219 -12.372 1.860 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.879 -13.587 3.077 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.891 -12.957 1.725 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.658 -12.731 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.207 -9.148 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.646 -10.848 0.996 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.316 -10.102 0.078 1.00 0.00 H new ATOM 663 N GLU A 41 3.265 -12.106 6.010 1.00 0.00 N ATOM 664 CA GLU A 41 2.324 -11.760 7.069 1.00 0.00 C ATOM 665 C GLU A 41 2.742 -10.449 7.742 1.00 0.00 C ATOM 666 O GLU A 41 1.911 -9.701 8.184 1.00 0.00 O ATOM 667 CB GLU A 41 2.138 -12.868 8.101 1.00 0.00 C ATOM 668 CG GLU A 41 3.307 -13.081 9.007 1.00 0.00 C ATOM 669 CD GLU A 41 3.043 -14.154 10.013 1.00 0.00 C ATOM 670 OE1 GLU A 41 3.142 -15.346 9.675 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.719 -13.820 11.165 1.00 0.00 O ATOM 0 H GLU A 41 3.763 -12.988 6.132 1.00 0.00 H new ATOM 0 HA GLU A 41 1.352 -11.629 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.263 -12.637 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.926 -13.801 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.182 -13.346 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.542 -12.150 9.522 1.00 0.00 H new ATOM 678 N ASN A 42 4.048 -10.173 7.746 1.00 0.00 N ATOM 679 CA ASN A 42 4.592 -8.914 8.258 1.00 0.00 C ATOM 680 C ASN A 42 4.217 -7.775 7.335 1.00 0.00 C ATOM 681 O ASN A 42 3.734 -6.712 7.789 1.00 0.00 O ATOM 682 CB ASN A 42 6.128 -8.985 8.359 1.00 0.00 C ATOM 683 CG ASN A 42 6.791 -7.624 8.591 1.00 0.00 C ATOM 684 OD1 ASN A 42 6.974 -7.192 9.723 1.00 0.00 O ATOM 685 ND2 ASN A 42 7.179 -6.963 7.509 1.00 0.00 N ATOM 0 H ASN A 42 4.758 -10.816 7.395 1.00 0.00 H new ATOM 0 HA ASN A 42 4.173 -8.744 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.399 -9.656 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.524 -9.421 7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.648 -6.062 7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.009 -7.356 6.583 1.00 0.00 H new ATOM 692 N LEU A 43 4.445 -7.984 6.030 1.00 0.00 N ATOM 693 CA LEU A 43 4.142 -6.938 5.045 1.00 0.00 C ATOM 694 C LEU A 43 2.678 -6.607 5.035 1.00 0.00 C ATOM 695 O LEU A 43 2.291 -5.440 5.160 1.00 0.00 O ATOM 696 CB LEU A 43 4.537 -7.288 3.606 1.00 0.00 C ATOM 697 CG LEU A 43 5.999 -7.388 3.233 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.837 -6.267 3.816 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.577 -8.718 3.506 1.00 0.00 C ATOM 0 H LEU A 43 4.828 -8.845 5.640 1.00 0.00 H new ATOM 0 HA LEU A 43 4.745 -6.089 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.073 -8.245 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.085 -6.541 2.954 1.00 0.00 H new ATOM 0 HG LEU A 43 6.029 -7.261 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.876 -6.394 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.467 -5.309 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.771 -6.291 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.628 -8.724 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.492 -8.940 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.038 -9.473 2.934 1.00 0.00 H new ATOM 711 N VAL A 44 1.870 -7.632 4.912 1.00 0.00 N ATOM 712 CA VAL A 44 0.461 -7.464 4.814 1.00 0.00 C ATOM 713 C VAL A 44 -0.096 -6.945 6.131 1.00 0.00 C ATOM 714 O VAL A 44 -1.059 -6.226 6.130 1.00 0.00 O ATOM 715 CB VAL A 44 -0.260 -8.762 4.347 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.467 -9.778 5.457 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.537 -8.454 3.592 1.00 0.00 C ATOM 0 H VAL A 44 2.182 -8.602 4.878 1.00 0.00 H new ATOM 0 HA VAL A 44 0.265 -6.720 4.042 1.00 0.00 H new ATOM 0 HB VAL A 44 0.419 -9.247 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.975 -10.656 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.500 -10.073 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.075 -9.336 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.011 -9.386 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.217 -7.898 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.304 -7.856 2.711 1.00 0.00 H new ATOM 727 N ALA A 45 0.559 -7.283 7.251 1.00 0.00 N ATOM 728 CA ALA A 45 0.155 -6.772 8.562 1.00 0.00 C ATOM 729 C ALA A 45 0.251 -5.247 8.577 1.00 0.00 C ATOM 730 O ALA A 45 -0.664 -4.557 9.025 1.00 0.00 O ATOM 731 CB ALA A 45 1.009 -7.364 9.674 1.00 0.00 C ATOM 0 H ALA A 45 1.367 -7.905 7.272 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.878 -7.070 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.684 -6.964 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.902 -8.449 9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.054 -7.103 9.508 1.00 0.00 H new ATOM 737 N TYR A 46 1.368 -4.730 8.064 1.00 0.00 N ATOM 738 CA TYR A 46 1.548 -3.277 7.906 1.00 0.00 C ATOM 739 C TYR A 46 0.509 -2.738 6.951 1.00 0.00 C ATOM 740 O TYR A 46 -0.122 -1.741 7.227 1.00 0.00 O ATOM 741 CB TYR A 46 2.987 -2.939 7.387 1.00 0.00 C ATOM 742 CG TYR A 46 3.137 -1.586 6.632 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.850 -1.499 5.258 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.557 -0.426 7.268 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.973 -0.313 4.562 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.683 0.771 6.560 1.00 0.00 C ATOM 747 CZ TYR A 46 3.392 0.816 5.216 1.00 0.00 C ATOM 748 OH TYR A 46 3.509 2.008 4.525 1.00 0.00 O ATOM 0 H TYR A 46 2.162 -5.289 7.750 1.00 0.00 H new ATOM 0 HA TYR A 46 1.424 -2.805 8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.668 -2.935 8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.311 -3.741 6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.524 -2.385 4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.789 -0.449 8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.740 -0.275 3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.010 1.665 7.070 1.00 0.00 H new ATOM 0 HH TYR A 46 3.816 2.711 5.135 1.00 0.00 H new ATOM 758 N ALA A 47 0.339 -3.401 5.842 1.00 0.00 N ATOM 759 CA ALA A 47 -0.580 -2.949 4.835 1.00 0.00 C ATOM 760 C ALA A 47 -1.999 -2.846 5.392 1.00 0.00 C ATOM 761 O ALA A 47 -2.661 -1.854 5.199 1.00 0.00 O ATOM 762 CB ALA A 47 -0.503 -3.843 3.627 1.00 0.00 C ATOM 0 H ALA A 47 0.830 -4.265 5.611 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.296 -1.944 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.204 -3.492 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.509 -3.822 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.759 -4.863 3.913 1.00 0.00 H new ATOM 768 N LYS A 48 -2.402 -3.849 6.147 1.00 0.00 N ATOM 769 CA LYS A 48 -3.706 -3.899 6.800 1.00 0.00 C ATOM 770 C LYS A 48 -3.873 -2.811 7.850 1.00 0.00 C ATOM 771 O LYS A 48 -4.926 -2.171 7.919 1.00 0.00 O ATOM 772 CB LYS A 48 -3.885 -5.246 7.456 1.00 0.00 C ATOM 773 CG LYS A 48 -4.078 -6.383 6.472 1.00 0.00 C ATOM 774 CD LYS A 48 -4.004 -7.717 7.170 1.00 0.00 C ATOM 775 CE LYS A 48 -4.359 -8.869 6.242 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.764 -8.809 5.773 1.00 0.00 N ATOM 0 H LYS A 48 -1.825 -4.670 6.331 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.461 -3.736 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.013 -5.457 8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.747 -5.204 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.043 -6.280 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.314 -6.331 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.998 -7.865 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.682 -7.717 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.691 -8.856 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.193 -9.813 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.027 -9.720 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.391 -8.610 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.861 -8.054 5.064 1.00 0.00 H new ATOM 790 N LYS A 49 -2.849 -2.609 8.670 1.00 0.00 N ATOM 791 CA LYS A 49 -2.913 -1.609 9.735 1.00 0.00 C ATOM 792 C LYS A 49 -3.031 -0.214 9.120 1.00 0.00 C ATOM 793 O LYS A 49 -3.814 0.635 9.581 1.00 0.00 O ATOM 794 CB LYS A 49 -1.678 -1.715 10.687 1.00 0.00 C ATOM 795 CG LYS A 49 -0.374 -1.313 10.104 1.00 0.00 C ATOM 796 CD LYS A 49 0.762 -1.482 11.096 1.00 0.00 C ATOM 797 CE LYS A 49 2.038 -0.803 10.609 1.00 0.00 C ATOM 798 NZ LYS A 49 1.984 0.679 10.739 1.00 0.00 N ATOM 0 H LYS A 49 -1.968 -3.120 8.621 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.797 -1.797 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.867 -1.098 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.597 -2.746 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.173 -1.912 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.425 -0.273 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.471 -1.062 12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.952 -2.543 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.887 -1.183 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.210 -1.066 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.904 1.084 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.246 1.056 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.764 0.933 11.723 1.00 0.00 H new ATOM 812 N VAL A 50 -2.288 -0.020 8.045 1.00 0.00 N ATOM 813 CA VAL A 50 -2.271 1.212 7.309 1.00 0.00 C ATOM 814 C VAL A 50 -3.612 1.428 6.627 1.00 0.00 C ATOM 815 O VAL A 50 -4.261 2.447 6.837 1.00 0.00 O ATOM 816 CB VAL A 50 -1.109 1.201 6.266 1.00 0.00 C ATOM 817 CG1 VAL A 50 -1.209 2.347 5.297 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.219 1.276 6.973 1.00 0.00 C ATOM 0 H VAL A 50 -1.671 -0.734 7.659 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.100 2.038 7.999 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.190 0.270 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.381 2.299 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.153 2.284 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.167 3.290 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.024 1.268 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.269 2.196 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.326 0.419 7.638 1.00 0.00 H new ATOM 828 N GLU A 51 -4.036 0.430 5.873 1.00 0.00 N ATOM 829 CA GLU A 51 -5.280 0.448 5.126 1.00 0.00 C ATOM 830 C GLU A 51 -6.444 0.741 6.060 1.00 0.00 C ATOM 831 O GLU A 51 -7.222 1.650 5.808 1.00 0.00 O ATOM 832 CB GLU A 51 -5.423 -0.903 4.402 1.00 0.00 C ATOM 833 CG GLU A 51 -6.614 -1.081 3.470 1.00 0.00 C ATOM 834 CD GLU A 51 -7.914 -1.442 4.204 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.856 -2.139 5.230 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.000 -1.061 3.763 1.00 0.00 O ATOM 0 H GLU A 51 -3.511 -0.437 5.761 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.279 1.240 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.515 -1.071 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.468 -1.686 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.767 -0.160 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.385 -1.863 2.745 1.00 0.00 H new ATOM 843 N GLY A 52 -6.490 0.028 7.175 1.00 0.00 N ATOM 844 CA GLY A 52 -7.539 0.209 8.155 1.00 0.00 C ATOM 845 C GLY A 52 -7.554 1.608 8.736 1.00 0.00 C ATOM 846 O GLY A 52 -8.624 2.174 8.978 1.00 0.00 O ATOM 0 H GLY A 52 -5.805 -0.686 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.504 0.001 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.409 -0.514 8.960 1.00 0.00 H new ATOM 850 N ASP A 53 -6.375 2.162 8.946 1.00 0.00 N ATOM 851 CA ASP A 53 -6.221 3.514 9.502 1.00 0.00 C ATOM 852 C ASP A 53 -6.802 4.573 8.535 1.00 0.00 C ATOM 853 O ASP A 53 -7.590 5.433 8.925 1.00 0.00 O ATOM 854 CB ASP A 53 -4.749 3.777 9.755 1.00 0.00 C ATOM 855 CG ASP A 53 -4.473 5.016 10.556 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.561 4.971 11.804 1.00 0.00 O ATOM 857 OD2 ASP A 53 -4.096 6.030 9.966 1.00 0.00 O ATOM 0 H ASP A 53 -5.491 1.697 8.740 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.771 3.583 10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.323 2.919 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.236 3.856 8.797 1.00 0.00 H new ATOM 862 N MET A 54 -6.449 4.477 7.269 1.00 0.00 N ATOM 863 CA MET A 54 -7.009 5.399 6.250 1.00 0.00 C ATOM 864 C MET A 54 -8.465 5.130 5.982 1.00 0.00 C ATOM 865 O MET A 54 -9.220 6.040 5.645 1.00 0.00 O ATOM 866 CB MET A 54 -6.203 5.441 4.940 1.00 0.00 C ATOM 867 CG MET A 54 -5.578 4.157 4.523 1.00 0.00 C ATOM 868 SD MET A 54 -3.796 4.392 4.237 1.00 0.00 S ATOM 869 CE MET A 54 -3.292 5.185 5.784 1.00 0.00 C ATOM 0 H MET A 54 -5.790 3.789 6.906 1.00 0.00 H new ATOM 0 HA MET A 54 -6.924 6.392 6.691 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.862 5.779 4.140 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.417 6.189 5.043 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.734 3.401 5.292 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.055 3.790 3.614 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.276 4.880 6.035 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.328 6.268 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.969 4.885 6.584 1.00 0.00 H new ATOM 879 N TYR A 55 -8.850 3.892 6.149 1.00 0.00 N ATOM 880 CA TYR A 55 -10.205 3.462 5.990 1.00 0.00 C ATOM 881 C TYR A 55 -11.052 4.173 7.034 1.00 0.00 C ATOM 882 O TYR A 55 -11.923 4.920 6.706 1.00 0.00 O ATOM 883 CB TYR A 55 -10.219 1.946 6.201 1.00 0.00 C ATOM 884 CG TYR A 55 -11.512 1.220 6.002 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.380 1.034 7.055 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.829 0.662 4.778 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.544 0.319 6.898 1.00 0.00 C ATOM 888 CE2 TYR A 55 -12.982 -0.065 4.611 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.838 -0.233 5.674 1.00 0.00 C ATOM 890 OH TYR A 55 -14.984 -0.980 5.518 1.00 0.00 O ATOM 0 H TYR A 55 -8.210 3.140 6.406 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.607 3.696 5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.483 1.508 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.878 1.747 7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.142 1.457 8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.160 0.800 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.222 0.192 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.215 -0.502 3.651 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.207 -1.418 6.366 1.00 0.00 H new ATOM 900 N GLU A 56 -10.676 4.051 8.280 1.00 0.00 N ATOM 901 CA GLU A 56 -11.459 4.649 9.365 1.00 0.00 C ATOM 902 C GLU A 56 -11.384 6.187 9.336 1.00 0.00 C ATOM 903 O GLU A 56 -12.278 6.854 9.797 1.00 0.00 O ATOM 904 CB GLU A 56 -10.977 4.150 10.716 1.00 0.00 C ATOM 905 CG GLU A 56 -9.548 4.512 10.946 1.00 0.00 C ATOM 906 CD GLU A 56 -9.047 4.230 12.316 1.00 0.00 C ATOM 907 OE1 GLU A 56 -9.317 5.033 13.216 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.368 3.213 12.523 1.00 0.00 O ATOM 0 H GLU A 56 -9.841 3.550 8.582 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.496 4.347 9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.595 4.577 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.094 3.068 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.931 3.970 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.419 5.574 10.738 1.00 0.00 H new ATOM 915 N SER A 57 -10.308 6.710 8.807 1.00 0.00 N ATOM 916 CA SER A 57 -10.071 8.137 8.722 1.00 0.00 C ATOM 917 C SER A 57 -10.932 8.815 7.630 1.00 0.00 C ATOM 918 O SER A 57 -11.374 9.960 7.789 1.00 0.00 O ATOM 919 CB SER A 57 -8.575 8.357 8.454 1.00 0.00 C ATOM 920 OG SER A 57 -8.231 9.722 8.333 1.00 0.00 O ATOM 0 H SER A 57 -9.553 6.148 8.414 1.00 0.00 H new ATOM 0 HA SER A 57 -10.363 8.600 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.997 7.913 9.264 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.295 7.835 7.539 1.00 0.00 H new ATOM 0 HG SER A 57 -7.269 9.803 8.165 1.00 0.00 H new ATOM 926 N ALA A 58 -11.200 8.107 6.563 1.00 0.00 N ATOM 927 CA ALA A 58 -11.888 8.680 5.421 1.00 0.00 C ATOM 928 C ALA A 58 -13.380 8.860 5.631 1.00 0.00 C ATOM 929 O ALA A 58 -13.996 8.239 6.504 1.00 0.00 O ATOM 930 CB ALA A 58 -11.658 7.839 4.226 1.00 0.00 C ATOM 0 H ALA A 58 -10.952 7.123 6.455 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.470 9.677 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.176 8.273 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.590 7.790 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.039 6.834 4.410 1.00 0.00 H new ATOM 936 N ASN A 59 -13.950 9.724 4.826 1.00 0.00 N ATOM 937 CA ASN A 59 -15.383 10.014 4.843 1.00 0.00 C ATOM 938 C ASN A 59 -16.084 9.244 3.746 1.00 0.00 C ATOM 939 O ASN A 59 -17.309 9.328 3.593 1.00 0.00 O ATOM 940 CB ASN A 59 -15.643 11.511 4.659 1.00 0.00 C ATOM 941 CG ASN A 59 -15.079 12.376 5.772 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.761 12.663 6.751 1.00 0.00 O ATOM 943 ND2 ASN A 59 -13.836 12.782 5.645 1.00 0.00 N ATOM 0 H ASN A 59 -13.434 10.258 4.127 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.775 9.708 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.212 11.830 3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.718 11.677 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.409 13.354 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.298 12.525 4.818 1.00 0.00 H new ATOM 950 N SER A 60 -15.305 8.514 2.978 1.00 0.00 N ATOM 951 CA SER A 60 -15.811 7.644 1.963 1.00 0.00 C ATOM 952 C SER A 60 -14.698 6.743 1.467 1.00 0.00 C ATOM 953 O SER A 60 -13.518 7.056 1.629 1.00 0.00 O ATOM 954 CB SER A 60 -16.459 8.415 0.817 1.00 0.00 C ATOM 955 OG SER A 60 -15.556 9.344 0.227 1.00 0.00 O ATOM 0 H SER A 60 -14.288 8.515 3.050 1.00 0.00 H new ATOM 0 HA SER A 60 -16.598 7.028 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.806 7.714 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.336 8.946 1.186 1.00 0.00 H new ATOM 0 HG SER A 60 -15.652 9.319 -0.748 1.00 0.00 H new ATOM 961 N ARG A 61 -15.073 5.623 0.888 1.00 0.00 N ATOM 962 CA ARG A 61 -14.110 4.646 0.372 1.00 0.00 C ATOM 963 C ARG A 61 -13.254 5.212 -0.741 1.00 0.00 C ATOM 964 O ARG A 61 -12.079 4.924 -0.825 1.00 0.00 O ATOM 965 CB ARG A 61 -14.744 3.278 -0.039 1.00 0.00 C ATOM 966 CG ARG A 61 -15.762 3.277 -1.196 1.00 0.00 C ATOM 967 CD ARG A 61 -16.962 4.095 -0.856 1.00 0.00 C ATOM 968 NE ARG A 61 -18.044 3.954 -1.846 1.00 0.00 N ATOM 969 CZ ARG A 61 -19.243 4.598 -1.835 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.578 5.430 -0.843 1.00 0.00 N ATOM 971 NH2 ARG A 61 -20.104 4.395 -2.823 1.00 0.00 N ATOM 0 H ARG A 61 -16.048 5.355 0.757 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.458 4.430 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.933 2.600 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.235 2.859 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.293 3.671 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.066 2.254 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.332 3.799 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.674 5.144 -0.785 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.878 3.308 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.929 5.593 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.482 5.902 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.866 3.760 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.004 4.874 -2.821 1.00 0.00 H new ATOM 985 N ASP A 62 -13.834 6.050 -1.552 1.00 0.00 N ATOM 986 CA ASP A 62 -13.124 6.690 -2.641 1.00 0.00 C ATOM 987 C ASP A 62 -12.089 7.655 -2.087 1.00 0.00 C ATOM 988 O ASP A 62 -11.003 7.778 -2.638 1.00 0.00 O ATOM 989 CB ASP A 62 -14.110 7.389 -3.584 1.00 0.00 C ATOM 990 CG ASP A 62 -15.015 8.341 -2.860 1.00 0.00 C ATOM 991 OD1 ASP A 62 -15.826 7.877 -2.039 1.00 0.00 O ATOM 992 OD2 ASP A 62 -14.913 9.546 -3.046 1.00 0.00 O ATOM 0 H ASP A 62 -14.817 6.315 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.598 5.934 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.555 7.931 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.712 6.639 -4.097 1.00 0.00 H new ATOM 997 N GLU A 63 -12.409 8.281 -0.949 1.00 0.00 N ATOM 998 CA GLU A 63 -11.472 9.157 -0.260 1.00 0.00 C ATOM 999 C GLU A 63 -10.348 8.353 0.366 1.00 0.00 C ATOM 1000 O GLU A 63 -9.174 8.712 0.231 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.175 10.026 0.804 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.207 10.736 1.762 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.859 11.790 2.608 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -11.943 12.949 2.166 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.297 11.484 3.726 1.00 0.00 O ATOM 0 H GLU A 63 -13.315 8.193 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.048 9.830 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.788 10.774 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.851 9.398 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.745 9.994 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.406 11.193 1.182 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.706 7.250 1.019 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.732 6.423 1.705 1.00 0.00 C ATOM 1014 C TYR A 64 -8.758 5.845 0.703 1.00 0.00 C ATOM 1015 O TYR A 64 -7.545 5.921 0.891 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.447 5.349 2.586 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.197 3.903 2.267 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.135 3.236 2.831 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -11.029 3.207 1.410 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.903 1.926 2.547 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.802 1.899 1.117 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.735 1.262 1.689 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.492 -0.032 1.400 1.00 0.00 O ATOM 0 H TYR A 64 -11.666 6.913 1.084 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.145 7.027 2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.156 5.518 3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.521 5.525 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.476 3.759 3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.874 3.711 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.066 1.413 2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.456 1.369 0.441 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.952 -0.431 2.114 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.311 5.341 -0.382 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.560 4.817 -1.479 1.00 0.00 C ATOM 1035 C TYR A 65 -7.682 5.902 -2.073 1.00 0.00 C ATOM 1036 O TYR A 65 -6.511 5.692 -2.226 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.542 4.184 -2.486 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.081 3.953 -3.909 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.785 3.572 -4.240 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -9.982 4.131 -4.931 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.424 3.385 -5.558 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.631 3.948 -6.232 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.359 3.581 -6.547 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.018 3.413 -7.855 1.00 0.00 O ATOM 0 H TYR A 65 -10.321 5.288 -0.518 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.877 4.031 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.856 3.222 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.428 4.817 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.055 3.421 -3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.994 4.424 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.417 3.088 -5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.361 4.094 -7.014 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.798 3.590 -8.422 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.244 7.082 -2.301 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.505 8.193 -2.903 1.00 0.00 C ATOM 1056 C HIS A 66 -6.283 8.587 -2.071 1.00 0.00 C ATOM 1057 O HIS A 66 -5.184 8.644 -2.584 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.421 9.421 -3.114 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.721 10.628 -3.681 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.458 11.775 -2.958 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.224 10.849 -4.918 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -6.824 12.630 -3.755 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.655 12.119 -4.961 1.00 0.00 N ATOM 0 H HIS A 66 -9.215 7.299 -2.078 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.151 7.846 -3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.236 9.141 -3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.871 9.692 -2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.262 10.152 -5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.491 13.613 -3.456 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.201 12.563 -5.759 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.478 8.828 -0.791 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.387 9.294 0.048 1.00 0.00 C ATOM 1073 C LEU A 67 -4.306 8.212 0.241 1.00 0.00 C ATOM 1074 O LEU A 67 -3.074 8.507 0.206 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.927 9.902 1.378 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.661 8.981 2.363 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.692 8.259 3.255 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.666 9.745 3.198 1.00 0.00 C ATOM 0 H LEU A 67 -7.370 8.711 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.877 10.108 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.083 10.345 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.604 10.716 1.119 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.203 8.245 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.241 7.614 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.020 7.653 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.111 8.985 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.166 9.060 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.152 10.518 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.405 10.208 2.544 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.747 6.955 0.365 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.823 5.856 0.539 1.00 0.00 C ATOM 1092 C LEU A 68 -3.054 5.672 -0.757 1.00 0.00 C ATOM 1093 O LEU A 68 -1.847 5.412 -0.748 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.565 4.550 1.003 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.276 3.646 -0.016 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.288 2.704 -0.671 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.364 2.846 0.665 1.00 0.00 C ATOM 0 H LEU A 68 -5.731 6.687 0.347 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.114 6.081 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.832 3.933 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.310 4.849 1.740 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.722 4.280 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.810 2.072 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.521 3.282 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.821 2.079 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.860 2.209 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.925 2.226 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.092 3.525 1.108 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.767 5.882 -1.863 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.231 5.789 -3.195 1.00 0.00 C ATOM 1111 C ALA A 69 -2.180 6.835 -3.415 1.00 0.00 C ATOM 1112 O ALA A 69 -1.139 6.558 -3.955 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.332 5.953 -4.205 1.00 0.00 C ATOM 0 H ALA A 69 -4.757 6.127 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.775 4.806 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.917 5.881 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.076 5.169 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.802 6.928 -4.075 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.439 8.013 -2.928 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.525 9.124 -3.088 1.00 0.00 C ATOM 1121 C GLU A 70 -0.204 8.856 -2.412 1.00 0.00 C ATOM 1122 O GLU A 70 0.878 9.053 -3.018 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.158 10.411 -2.582 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.229 10.934 -3.511 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.662 11.658 -4.711 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -1.842 11.083 -5.462 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.997 12.851 -4.907 1.00 0.00 O ATOM 0 H GLU A 70 -3.287 8.239 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.320 9.242 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.590 10.237 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.384 11.169 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.845 10.102 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.883 11.610 -2.960 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.258 8.372 -1.186 1.00 0.00 N ATOM 1135 CA LYS A 71 0.971 8.099 -0.491 1.00 0.00 C ATOM 1136 C LYS A 71 1.698 6.867 -1.060 1.00 0.00 C ATOM 1137 O LYS A 71 2.919 6.874 -1.192 1.00 0.00 O ATOM 1138 CB LYS A 71 0.783 8.072 1.038 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.085 6.962 1.610 1.00 0.00 C ATOM 1140 CD LYS A 71 0.697 5.674 1.833 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.084 4.715 2.699 1.00 0.00 C ATOM 1142 NZ LYS A 71 -0.308 5.279 4.052 1.00 0.00 N ATOM 0 H LYS A 71 -1.113 8.167 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 71 1.644 8.936 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.768 8.002 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.355 9.027 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.516 7.291 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.916 6.767 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.918 5.207 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.653 5.901 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.043 4.495 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.455 3.771 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.001 4.593 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.238 6.158 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.320 5.482 4.180 1.00 0.00 H new ATOM 1156 N ILE A 72 0.947 5.837 -1.444 1.00 0.00 N ATOM 1157 CA ILE A 72 1.575 4.649 -2.014 1.00 0.00 C ATOM 1158 C ILE A 72 2.246 4.996 -3.358 1.00 0.00 C ATOM 1159 O ILE A 72 3.391 4.662 -3.579 1.00 0.00 O ATOM 1160 CB ILE A 72 0.589 3.425 -2.167 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.323 2.195 -2.637 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.549 3.701 -3.070 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.424 1.053 -3.018 1.00 0.00 C ATOM 0 H ILE A 72 -0.070 5.800 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 72 2.336 4.325 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 72 0.178 3.249 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.941 2.459 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.998 1.864 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.187 2.820 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.126 4.541 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.174 3.946 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.029 0.207 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.176 0.759 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.234 1.363 -3.829 1.00 0.00 H new ATOM 1175 N TYR A 73 1.528 5.726 -4.193 1.00 0.00 N ATOM 1176 CA TYR A 73 1.971 6.191 -5.507 1.00 0.00 C ATOM 1177 C TYR A 73 3.298 6.932 -5.416 1.00 0.00 C ATOM 1178 O TYR A 73 4.290 6.580 -6.130 1.00 0.00 O ATOM 1179 CB TYR A 73 0.852 7.099 -6.068 1.00 0.00 C ATOM 1180 CG TYR A 73 1.127 7.911 -7.304 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.784 9.119 -7.203 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.682 7.507 -8.551 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.006 9.907 -8.298 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.904 8.290 -9.662 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.567 9.493 -9.524 1.00 0.00 C ATOM 1186 OH TYR A 73 1.816 10.279 -10.625 1.00 0.00 O ATOM 0 H TYR A 73 0.579 6.027 -3.970 1.00 0.00 H new ATOM 0 HA TYR A 73 2.144 5.346 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.013 6.468 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.561 7.790 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.132 9.451 -6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.156 6.569 -8.654 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.524 10.849 -8.195 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.562 7.965 -10.634 1.00 0.00 H new ATOM 0 HH TYR A 73 1.996 9.708 -11.401 1.00 0.00 H new ATOM 1196 N LYS A 74 3.342 7.935 -4.538 1.00 0.00 N ATOM 1197 CA LYS A 74 4.532 8.737 -4.389 1.00 0.00 C ATOM 1198 C LYS A 74 5.677 7.870 -3.882 1.00 0.00 C ATOM 1199 O LYS A 74 6.805 8.067 -4.270 1.00 0.00 O ATOM 1200 CB LYS A 74 4.300 9.953 -3.470 1.00 0.00 C ATOM 1201 CG LYS A 74 4.098 9.614 -2.003 1.00 0.00 C ATOM 1202 CD LYS A 74 3.927 10.851 -1.122 1.00 0.00 C ATOM 1203 CE LYS A 74 2.717 11.692 -1.508 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.599 12.897 -0.661 1.00 0.00 N ATOM 0 H LYS A 74 2.568 8.201 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 74 4.797 9.136 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.153 10.626 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.426 10.498 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.219 8.978 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.952 9.037 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.829 10.539 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.825 11.465 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.798 11.988 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.812 11.092 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.765 13.445 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.497 12.613 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.452 13.482 -0.768 1.00 0.00 H new ATOM 1218 N ILE A 75 5.350 6.892 -3.045 1.00 0.00 N ATOM 1219 CA ILE A 75 6.324 5.952 -2.518 1.00 0.00 C ATOM 1220 C ILE A 75 6.877 5.027 -3.611 1.00 0.00 C ATOM 1221 O ILE A 75 8.074 4.779 -3.645 1.00 0.00 O ATOM 1222 CB ILE A 75 5.740 5.152 -1.294 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.157 5.789 0.037 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.098 3.678 -1.312 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.757 7.232 0.202 1.00 0.00 C ATOM 0 H ILE A 75 4.399 6.731 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 75 7.172 6.529 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 75 4.656 5.211 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.722 5.211 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.240 5.714 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.664 3.187 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.706 3.219 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.182 3.567 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.095 7.595 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.214 7.829 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.672 7.318 0.140 1.00 0.00 H new ATOM 1237 N GLN A 76 6.007 4.564 -4.507 1.00 0.00 N ATOM 1238 CA GLN A 76 6.400 3.663 -5.608 1.00 0.00 C ATOM 1239 C GLN A 76 7.475 4.331 -6.454 1.00 0.00 C ATOM 1240 O GLN A 76 8.585 3.790 -6.664 1.00 0.00 O ATOM 1241 CB GLN A 76 5.188 3.360 -6.498 1.00 0.00 C ATOM 1242 CG GLN A 76 4.030 2.721 -5.788 1.00 0.00 C ATOM 1243 CD GLN A 76 4.123 1.230 -5.671 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.193 0.650 -5.649 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.982 0.604 -5.556 1.00 0.00 N ATOM 0 H GLN A 76 5.014 4.796 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 76 6.782 2.735 -5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.848 4.290 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.505 2.705 -7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.952 3.148 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.111 2.975 -6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.108 1.129 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.966 -0.410 -5.443 1.00 0.00 H new ATOM 1254 N LYS A 77 7.181 5.533 -6.909 1.00 0.00 N ATOM 1255 CA LYS A 77 8.138 6.220 -7.721 1.00 0.00 C ATOM 1256 C LYS A 77 9.356 6.675 -6.940 1.00 0.00 C ATOM 1257 O LYS A 77 10.467 6.646 -7.462 1.00 0.00 O ATOM 1258 CB LYS A 77 7.484 7.307 -8.517 1.00 0.00 C ATOM 1259 CG LYS A 77 6.488 8.150 -7.746 1.00 0.00 C ATOM 1260 CD LYS A 77 5.753 9.074 -8.663 1.00 0.00 C ATOM 1261 CE LYS A 77 5.036 8.328 -9.799 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.427 9.236 -10.787 1.00 0.00 N ATOM 0 H LYS A 77 6.310 6.034 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 77 8.534 5.505 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.259 7.961 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.975 6.857 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.779 7.502 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.008 8.727 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.023 9.645 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.454 9.791 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.748 7.675 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.262 7.689 -9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.092 8.686 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.624 9.734 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.134 9.930 -11.103 1.00 0.00 H new ATOM 1276 N GLU A 78 9.152 7.012 -5.672 1.00 0.00 N ATOM 1277 CA GLU A 78 10.228 7.434 -4.797 1.00 0.00 C ATOM 1278 C GLU A 78 11.217 6.286 -4.650 1.00 0.00 C ATOM 1279 O GLU A 78 12.423 6.475 -4.804 1.00 0.00 O ATOM 1280 CB GLU A 78 9.664 7.788 -3.423 1.00 0.00 C ATOM 1281 CG GLU A 78 10.581 8.624 -2.529 1.00 0.00 C ATOM 1282 CD GLU A 78 10.765 10.075 -2.979 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.290 10.463 -4.081 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.397 10.857 -2.244 1.00 0.00 O ATOM 0 H GLU A 78 8.235 6.999 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 78 10.724 8.308 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.729 8.330 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.421 6.863 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.179 8.621 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.559 8.145 -2.486 1.00 0.00 H new ATOM 1291 N LEU A 79 10.690 5.080 -4.407 1.00 0.00 N ATOM 1292 CA LEU A 79 11.515 3.913 -4.201 1.00 0.00 C ATOM 1293 C LEU A 79 12.330 3.566 -5.435 1.00 0.00 C ATOM 1294 O LEU A 79 13.532 3.290 -5.316 1.00 0.00 O ATOM 1295 CB LEU A 79 10.716 2.686 -3.627 1.00 0.00 C ATOM 1296 CG LEU A 79 9.620 2.022 -4.497 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.181 1.070 -5.548 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.614 1.312 -3.651 1.00 0.00 C ATOM 0 H LEU A 79 9.688 4.900 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 79 12.231 4.177 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.441 1.915 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.247 3.007 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 79 9.131 2.837 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.361 0.639 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.845 1.617 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.738 0.273 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.858 0.856 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.111 0.537 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.138 2.024 -2.977 1.00 0.00 H new ATOM 1310 N GLU A 80 11.720 3.621 -6.626 1.00 0.00 N ATOM 1311 CA GLU A 80 12.477 3.269 -7.819 1.00 0.00 C ATOM 1312 C GLU A 80 13.557 4.306 -8.145 1.00 0.00 C ATOM 1313 O GLU A 80 14.706 3.942 -8.413 1.00 0.00 O ATOM 1314 CB GLU A 80 11.607 2.953 -9.051 1.00 0.00 C ATOM 1315 CG GLU A 80 10.733 4.083 -9.545 1.00 0.00 C ATOM 1316 CD GLU A 80 10.229 3.837 -10.943 1.00 0.00 C ATOM 1317 OE1 GLU A 80 9.280 3.052 -11.132 1.00 0.00 O ATOM 1318 OE2 GLU A 80 10.792 4.423 -11.899 1.00 0.00 O ATOM 0 H GLU A 80 10.749 3.893 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 80 12.975 2.333 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.262 2.643 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.969 2.102 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.886 4.207 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.298 5.015 -9.522 1.00 0.00 H new ATOM 1325 N GLU A 81 13.222 5.587 -8.057 1.00 0.00 N ATOM 1326 CA GLU A 81 14.182 6.619 -8.393 1.00 0.00 C ATOM 1327 C GLU A 81 15.309 6.710 -7.367 1.00 0.00 C ATOM 1328 O GLU A 81 16.458 7.022 -7.713 1.00 0.00 O ATOM 1329 CB GLU A 81 13.524 7.975 -8.660 1.00 0.00 C ATOM 1330 CG GLU A 81 12.786 8.575 -7.489 1.00 0.00 C ATOM 1331 CD GLU A 81 12.134 9.872 -7.848 1.00 0.00 C ATOM 1332 OE1 GLU A 81 12.831 10.906 -7.854 1.00 0.00 O ATOM 1333 OE2 GLU A 81 10.925 9.902 -8.123 1.00 0.00 O ATOM 0 H GLU A 81 12.308 5.928 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 81 14.640 6.318 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.294 8.677 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.826 7.865 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.030 7.873 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.481 8.734 -6.664 1.00 0.00 H new ATOM 1340 N LYS A 82 15.005 6.422 -6.108 1.00 0.00 N ATOM 1341 CA LYS A 82 16.037 6.438 -5.089 1.00 0.00 C ATOM 1342 C LYS A 82 16.957 5.226 -5.249 1.00 0.00 C ATOM 1343 O LYS A 82 18.152 5.329 -5.058 1.00 0.00 O ATOM 1344 CB LYS A 82 15.455 6.615 -3.632 1.00 0.00 C ATOM 1345 CG LYS A 82 14.704 5.416 -3.043 1.00 0.00 C ATOM 1346 CD LYS A 82 15.672 4.368 -2.532 1.00 0.00 C ATOM 1347 CE LYS A 82 15.026 3.025 -2.376 1.00 0.00 C ATOM 1348 NZ LYS A 82 16.056 1.994 -2.216 1.00 0.00 N ATOM 0 H LYS A 82 14.071 6.180 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 82 16.652 7.326 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.280 6.862 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.780 7.471 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.060 5.749 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.056 4.979 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.513 4.286 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.077 4.688 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.364 3.028 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.410 2.804 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.871 1.213 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.991 2.403 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.037 1.633 -1.241 1.00 0.00 H new ATOM 1362 N ARG A 83 16.382 4.097 -5.654 1.00 0.00 N ATOM 1363 CA ARG A 83 17.141 2.865 -5.833 1.00 0.00 C ATOM 1364 C ARG A 83 18.042 2.977 -7.055 1.00 0.00 C ATOM 1365 O ARG A 83 19.140 2.414 -7.083 1.00 0.00 O ATOM 1366 CB ARG A 83 16.171 1.667 -5.996 1.00 0.00 C ATOM 1367 CG ARG A 83 16.834 0.301 -6.227 1.00 0.00 C ATOM 1368 CD ARG A 83 17.583 -0.220 -5.000 1.00 0.00 C ATOM 1369 NE ARG A 83 18.300 -1.465 -5.309 1.00 0.00 N ATOM 1370 CZ ARG A 83 18.756 -2.364 -4.422 1.00 0.00 C ATOM 1371 NH1 ARG A 83 18.407 -2.308 -3.145 1.00 0.00 N ATOM 1372 NH2 ARG A 83 19.522 -3.361 -4.844 1.00 0.00 N ATOM 0 H ARG A 83 15.388 4.011 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 83 17.763 2.702 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.549 1.602 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.505 1.874 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.071 -0.423 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.529 0.378 -7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.290 0.534 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.879 -0.394 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 83 18.468 -1.666 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.780 -1.572 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.765 -3.001 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.759 -3.439 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.874 -4.050 -4.179 1.00 0.00 H new ATOM 1386 N ARG A 84 17.586 3.727 -8.034 1.00 0.00 N ATOM 1387 CA ARG A 84 18.266 3.812 -9.293 1.00 0.00 C ATOM 1388 C ARG A 84 19.113 5.082 -9.502 1.00 0.00 C ATOM 1389 O ARG A 84 20.304 4.973 -9.785 1.00 0.00 O ATOM 1390 CB ARG A 84 17.262 3.625 -10.428 1.00 0.00 C ATOM 1391 CG ARG A 84 17.845 3.711 -11.823 1.00 0.00 C ATOM 1392 CD ARG A 84 16.777 3.450 -12.860 1.00 0.00 C ATOM 1393 NE ARG A 84 17.284 3.573 -14.220 1.00 0.00 N ATOM 1394 CZ ARG A 84 16.822 2.891 -15.270 1.00 0.00 C ATOM 1395 NH1 ARG A 84 15.877 1.952 -15.106 1.00 0.00 N ATOM 1396 NH2 ARG A 84 17.303 3.136 -16.481 1.00 0.00 N ATOM 0 H ARG A 84 16.737 4.290 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 84 18.998 3.004 -9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.782 2.653 -10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.482 4.380 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.281 4.698 -11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.651 2.985 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.371 2.449 -12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.955 4.152 -12.716 1.00 0.00 H new ATOM 0 HE ARG A 84 18.048 4.229 -14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.508 1.757 -14.175 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.528 1.434 -15.912 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.025 3.845 -16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.951 2.616 -17.284 1.00 0.00 H new ATOM 1410 N SER A 85 18.552 6.278 -9.353 1.00 0.00 N ATOM 1411 CA SER A 85 19.304 7.431 -9.825 1.00 0.00 C ATOM 1412 C SER A 85 19.665 8.508 -8.835 1.00 0.00 C ATOM 1413 O SER A 85 20.704 9.156 -8.978 1.00 0.00 O ATOM 1414 CB SER A 85 18.699 7.979 -11.099 1.00 0.00 C ATOM 1415 OG SER A 85 17.309 8.212 -10.917 1.00 0.00 O ATOM 0 H SER A 85 17.640 6.468 -8.938 1.00 0.00 H new ATOM 0 HA SER A 85 20.291 7.016 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.198 8.907 -11.378 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.854 7.275 -11.917 1.00 0.00 H new ATOM 0 HG SER A 85 16.926 8.568 -11.746 1.00 0.00 H new ATOM 1421 N ARG A 86 18.878 8.701 -7.857 1.00 0.00 N ATOM 1422 CA ARG A 86 19.172 9.813 -6.946 1.00 0.00 C ATOM 1423 C ARG A 86 20.109 9.380 -5.818 1.00 0.00 C ATOM 1424 O ARG A 86 20.795 10.205 -5.224 1.00 0.00 O ATOM 1425 CB ARG A 86 17.924 10.521 -6.375 1.00 0.00 C ATOM 1426 CG ARG A 86 17.284 9.803 -5.222 1.00 0.00 C ATOM 1427 CD ARG A 86 16.342 10.678 -4.432 1.00 0.00 C ATOM 1428 NE ARG A 86 15.088 10.969 -5.116 1.00 0.00 N ATOM 1429 CZ ARG A 86 13.913 11.080 -4.476 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.880 11.140 -3.147 1.00 0.00 N ATOM 1431 NH2 ARG A 86 12.790 11.201 -5.158 1.00 0.00 N ATOM 0 H ARG A 86 18.048 8.149 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 86 19.676 10.555 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 86 18.204 11.524 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 86 17.188 10.635 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 86 16.738 8.938 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.062 9.425 -4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.121 10.191 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.844 11.617 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 86 15.104 11.094 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.748 11.102 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.986 11.224 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.811 11.211 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.901 11.285 -4.665 1.00 0.00 H new ATOM 1445 N LEU A 87 20.139 8.096 -5.528 1.00 0.00 N ATOM 1446 CA LEU A 87 21.025 7.576 -4.489 1.00 0.00 C ATOM 1447 C LEU A 87 21.960 6.575 -5.118 1.00 0.00 C ATOM 1448 O LEU A 87 21.770 6.214 -6.297 1.00 0.00 O ATOM 1449 CB LEU A 87 20.247 6.895 -3.348 1.00 0.00 C ATOM 1450 CG LEU A 87 19.137 7.705 -2.657 1.00 0.00 C ATOM 1451 CD1 LEU A 87 18.529 6.909 -1.517 1.00 0.00 C ATOM 1452 CD2 LEU A 87 19.641 9.051 -2.164 1.00 0.00 C ATOM 0 H LEU A 87 19.566 7.390 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 87 21.573 8.413 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 87 19.800 5.983 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 87 20.965 6.592 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 87 18.363 7.901 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.746 7.498 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 87 18.102 5.984 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.302 6.673 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.826 9.591 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.448 8.897 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.012 9.632 -3.008 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 19.899 13.229 15.802 1.00 0.00 N ATOM 1466 CA GLY B 101 18.650 13.189 16.529 1.00 0.00 C ATOM 1467 C GLY B 101 17.495 12.906 15.615 1.00 0.00 C ATOM 1468 O GLY B 101 16.993 11.777 15.558 1.00 0.00 O ATOM 0 HA2 GLY B 101 18.701 12.422 17.302 1.00 0.00 H new ATOM 0 HA3 GLY B 101 18.491 14.141 17.035 1.00 0.00 H new ATOM 1472 N SER B 102 17.073 13.903 14.895 1.00 0.00 N ATOM 1473 CA SER B 102 16.027 13.744 13.932 1.00 0.00 C ATOM 1474 C SER B 102 16.652 13.285 12.626 1.00 0.00 C ATOM 1475 O SER B 102 17.069 14.095 11.803 1.00 0.00 O ATOM 1476 CB SER B 102 15.270 15.060 13.746 1.00 0.00 C ATOM 1477 OG SER B 102 14.785 15.544 14.994 1.00 0.00 O ATOM 0 H SER B 102 17.446 14.850 14.960 1.00 0.00 H new ATOM 0 HA SER B 102 15.307 13.000 14.275 1.00 0.00 H new ATOM 0 HB2 SER B 102 15.927 15.802 13.293 1.00 0.00 H new ATOM 0 HB3 SER B 102 14.437 14.912 13.059 1.00 0.00 H new ATOM 0 HG SER B 102 14.305 16.387 14.854 1.00 0.00 H new ATOM 1483 N MET B 103 16.805 11.992 12.490 1.00 0.00 N ATOM 1484 CA MET B 103 17.441 11.431 11.320 1.00 0.00 C ATOM 1485 C MET B 103 16.396 11.066 10.297 1.00 0.00 C ATOM 1486 O MET B 103 16.654 11.067 9.087 1.00 0.00 O ATOM 1487 CB MET B 103 18.292 10.207 11.691 1.00 0.00 C ATOM 1488 CG MET B 103 19.324 10.476 12.789 1.00 0.00 C ATOM 1489 SD MET B 103 20.397 11.893 12.438 1.00 0.00 S ATOM 1490 CE MET B 103 21.185 11.367 10.917 1.00 0.00 C ATOM 0 H MET B 103 16.497 11.304 13.177 1.00 0.00 H new ATOM 0 HA MET B 103 18.108 12.179 10.892 1.00 0.00 H new ATOM 0 HB2 MET B 103 17.632 9.403 12.016 1.00 0.00 H new ATOM 0 HB3 MET B 103 18.809 9.853 10.799 1.00 0.00 H new ATOM 0 HG2 MET B 103 18.804 10.648 13.731 1.00 0.00 H new ATOM 0 HG3 MET B 103 19.941 9.587 12.923 1.00 0.00 H new ATOM 0 HE1 MET B 103 21.987 12.060 10.664 1.00 0.00 H new ATOM 0 HE2 MET B 103 21.598 10.367 11.048 1.00 0.00 H new ATOM 0 HE3 MET B 103 20.450 11.354 10.112 1.00 0.00 H new ATOM 1500 N SER B 104 15.217 10.784 10.783 1.00 0.00 N ATOM 1501 CA SER B 104 14.103 10.459 9.955 1.00 0.00 C ATOM 1502 C SER B 104 13.340 11.760 9.618 1.00 0.00 C ATOM 1503 O SER B 104 13.845 12.865 9.863 1.00 0.00 O ATOM 1504 CB SER B 104 13.218 9.429 10.687 1.00 0.00 C ATOM 1505 OG SER B 104 12.173 8.919 9.853 1.00 0.00 O ATOM 0 H SER B 104 15.008 10.775 11.781 1.00 0.00 H new ATOM 0 HA SER B 104 14.424 10.008 9.016 1.00 0.00 H new ATOM 0 HB2 SER B 104 13.838 8.603 11.034 1.00 0.00 H new ATOM 0 HB3 SER B 104 12.780 9.893 11.571 1.00 0.00 H new ATOM 0 HG SER B 104 11.640 8.270 10.357 1.00 0.00 H new ATOM 1511 N HIS B 105 12.156 11.628 9.071 1.00 0.00 N ATOM 1512 CA HIS B 105 11.355 12.770 8.634 1.00 0.00 C ATOM 1513 C HIS B 105 9.946 12.546 9.137 1.00 0.00 C ATOM 1514 O HIS B 105 9.651 11.473 9.651 1.00 0.00 O ATOM 1515 CB HIS B 105 11.298 12.839 7.081 1.00 0.00 C ATOM 1516 CG HIS B 105 12.624 12.792 6.369 1.00 0.00 C ATOM 1517 ND1 HIS B 105 13.327 13.899 5.953 1.00 0.00 N ATOM 1518 CD2 HIS B 105 13.362 11.720 5.989 1.00 0.00 C ATOM 1519 CE1 HIS B 105 14.442 13.479 5.354 1.00 0.00 C ATOM 1520 NE2 HIS B 105 14.511 12.154 5.348 1.00 0.00 N ATOM 0 H HIS B 105 11.709 10.725 8.911 1.00 0.00 H new ATOM 0 HA HIS B 105 11.793 13.692 9.016 1.00 0.00 H new ATOM 0 HB2 HIS B 105 10.686 12.011 6.723 1.00 0.00 H new ATOM 0 HB3 HIS B 105 10.788 13.759 6.796 1.00 0.00 H new ATOM 0 HD2 HIS B 105 13.095 10.687 6.160 1.00 0.00 H new ATOM 0 HE1 HIS B 105 15.191 14.132 4.930 1.00 0.00 H new ATOM 0 HE2 HIS B 105 15.254 11.576 4.954 1.00 0.00 H new ATOM 1528 N TYR B 106 9.080 13.509 9.007 1.00 0.00 N ATOM 1529 CA TYR B 106 7.693 13.278 9.339 1.00 0.00 C ATOM 1530 C TYR B 106 6.886 13.324 8.067 1.00 0.00 C ATOM 1531 O TYR B 106 6.769 14.371 7.429 1.00 0.00 O ATOM 1532 CB TYR B 106 7.141 14.262 10.387 1.00 0.00 C ATOM 1533 CG TYR B 106 5.682 13.986 10.742 1.00 0.00 C ATOM 1534 CD1 TYR B 106 5.335 12.938 11.590 1.00 0.00 C ATOM 1535 CD2 TYR B 106 4.657 14.760 10.214 1.00 0.00 C ATOM 1536 CE1 TYR B 106 4.011 12.672 11.898 1.00 0.00 C ATOM 1537 CE2 TYR B 106 3.333 14.503 10.520 1.00 0.00 C ATOM 1538 CZ TYR B 106 3.015 13.460 11.360 1.00 0.00 C ATOM 1539 OH TYR B 106 1.688 13.200 11.662 1.00 0.00 O ATOM 0 H TYR B 106 9.299 14.450 8.679 1.00 0.00 H new ATOM 0 HA TYR B 106 7.615 12.296 9.805 1.00 0.00 H new ATOM 0 HB2 TYR B 106 7.748 14.203 11.290 1.00 0.00 H new ATOM 0 HB3 TYR B 106 7.232 15.280 10.008 1.00 0.00 H new ATOM 0 HD1 TYR B 106 6.112 12.321 12.016 1.00 0.00 H new ATOM 0 HD2 TYR B 106 4.898 15.578 9.552 1.00 0.00 H new ATOM 0 HE1 TYR B 106 3.760 11.853 12.555 1.00 0.00 H new ATOM 0 HE2 TYR B 106 2.551 15.119 10.101 1.00 0.00 H new ATOM 0 HH TYR B 106 1.115 13.848 11.202 1.00 0.00 H new ATOM 1549 N GLY B 107 6.347 12.201 7.693 1.00 0.00 N ATOM 1550 CA GLY B 107 5.633 12.111 6.459 1.00 0.00 C ATOM 1551 C GLY B 107 6.460 11.423 5.415 1.00 0.00 C ATOM 1552 O GLY B 107 6.226 10.255 5.110 1.00 0.00 O ATOM 0 H GLY B 107 6.390 11.334 8.228 1.00 0.00 H new ATOM 0 HA2 GLY B 107 4.702 11.564 6.611 1.00 0.00 H new ATOM 0 HA3 GLY B 107 5.363 13.110 6.116 1.00 0.00 H new ATOM 1556 N ASN B 108 7.492 12.104 4.923 1.00 0.00 N ATOM 1557 CA ASN B 108 8.381 11.535 3.889 1.00 0.00 C ATOM 1558 C ASN B 108 9.447 10.646 4.499 1.00 0.00 C ATOM 1559 O ASN B 108 10.463 10.332 3.868 1.00 0.00 O ATOM 1560 CB ASN B 108 9.036 12.606 2.990 1.00 0.00 C ATOM 1561 CG ASN B 108 8.080 13.285 2.013 1.00 0.00 C ATOM 1562 OD1 ASN B 108 6.890 13.436 2.268 1.00 0.00 O ATOM 1563 ND2 ASN B 108 8.594 13.677 0.876 1.00 0.00 N ATOM 0 H ASN B 108 7.741 13.049 5.217 1.00 0.00 H new ATOM 0 HA ASN B 108 7.736 10.931 3.251 1.00 0.00 H new ATOM 0 HB2 ASN B 108 9.488 13.368 3.625 1.00 0.00 H new ATOM 0 HB3 ASN B 108 9.844 12.142 2.424 1.00 0.00 H new ATOM 0 HD21 ASN B 108 8.001 14.121 0.175 1.00 0.00 H new ATOM 0 HD22 ASN B 108 9.587 13.539 0.691 1.00 0.00 H new ATOM 1570 N GLN B 109 9.188 10.182 5.718 1.00 0.00 N ATOM 1571 CA GLN B 109 10.045 9.206 6.387 1.00 0.00 C ATOM 1572 C GLN B 109 10.067 7.907 5.609 1.00 0.00 C ATOM 1573 O GLN B 109 10.989 7.102 5.732 1.00 0.00 O ATOM 1574 CB GLN B 109 9.628 8.987 7.867 1.00 0.00 C ATOM 1575 CG GLN B 109 8.118 8.825 8.161 1.00 0.00 C ATOM 1576 CD GLN B 109 7.466 7.571 7.594 1.00 0.00 C ATOM 1577 OE1 GLN B 109 8.094 6.523 7.457 1.00 0.00 O ATOM 1578 NE2 GLN B 109 6.204 7.671 7.273 1.00 0.00 N ATOM 0 H GLN B 109 8.380 10.471 6.270 1.00 0.00 H new ATOM 0 HA GLN B 109 11.059 9.605 6.410 1.00 0.00 H new ATOM 0 HB2 GLN B 109 10.141 8.098 8.234 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.997 9.831 8.450 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.974 8.830 9.241 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.594 9.695 7.766 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.714 8.557 7.400 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.708 6.864 6.895 1.00 0.00 H new ATOM 1587 N THR B 110 9.071 7.768 4.761 1.00 0.00 N ATOM 1588 CA THR B 110 8.870 6.661 3.910 1.00 0.00 C ATOM 1589 C THR B 110 10.036 6.453 2.947 1.00 0.00 C ATOM 1590 O THR B 110 10.258 5.364 2.506 1.00 0.00 O ATOM 1591 CB THR B 110 7.578 6.888 3.157 1.00 0.00 C ATOM 1592 OG1 THR B 110 7.445 8.311 2.926 1.00 0.00 O ATOM 1593 CG2 THR B 110 6.388 6.380 3.957 1.00 0.00 C ATOM 0 H THR B 110 8.347 8.479 4.657 1.00 0.00 H new ATOM 0 HA THR B 110 8.811 5.752 4.508 1.00 0.00 H new ATOM 0 HB THR B 110 7.600 6.343 2.213 1.00 0.00 H new ATOM 0 HG1 THR B 110 6.553 8.606 3.206 1.00 0.00 H new ATOM 0 HG21 THR B 110 5.471 6.554 3.395 1.00 0.00 H new ATOM 0 HG22 THR B 110 6.503 5.312 4.142 1.00 0.00 H new ATOM 0 HG23 THR B 110 6.337 6.909 4.909 1.00 0.00 H new ATOM 1601 N LEU B 111 10.784 7.514 2.655 1.00 0.00 N ATOM 1602 CA LEU B 111 11.967 7.420 1.801 1.00 0.00 C ATOM 1603 C LEU B 111 12.989 6.438 2.408 1.00 0.00 C ATOM 1604 O LEU B 111 13.347 5.423 1.795 1.00 0.00 O ATOM 1605 CB LEU B 111 12.602 8.814 1.626 1.00 0.00 C ATOM 1606 CG LEU B 111 13.917 8.882 0.830 1.00 0.00 C ATOM 1607 CD1 LEU B 111 13.719 8.435 -0.611 1.00 0.00 C ATOM 1608 CD2 LEU B 111 14.497 10.287 0.882 1.00 0.00 C ATOM 0 H LEU B 111 10.591 8.455 2.999 1.00 0.00 H new ATOM 0 HA LEU B 111 11.666 7.045 0.823 1.00 0.00 H new ATOM 0 HB2 LEU B 111 11.874 9.460 1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 111 12.782 9.232 2.616 1.00 0.00 H new ATOM 0 HG LEU B 111 14.625 8.195 1.294 1.00 0.00 H new ATOM 0 HD11 LEU B 111 14.668 8.496 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU B 111 13.359 7.406 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU B 111 12.988 9.083 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU B 111 15.427 10.318 0.314 1.00 0.00 H new ATOM 0 HD22 LEU B 111 13.785 10.991 0.451 1.00 0.00 H new ATOM 0 HD23 LEU B 111 14.695 10.561 1.918 1.00 0.00 H new ATOM 1620 N GLN B 112 13.420 6.729 3.624 1.00 0.00 N ATOM 1621 CA GLN B 112 14.390 5.893 4.311 1.00 0.00 C ATOM 1622 C GLN B 112 13.749 4.609 4.851 1.00 0.00 C ATOM 1623 O GLN B 112 14.400 3.560 4.941 1.00 0.00 O ATOM 1624 CB GLN B 112 15.150 6.682 5.392 1.00 0.00 C ATOM 1625 CG GLN B 112 14.273 7.423 6.384 1.00 0.00 C ATOM 1626 CD GLN B 112 15.085 8.187 7.405 1.00 0.00 C ATOM 1627 OE1 GLN B 112 15.416 7.668 8.455 1.00 0.00 O ATOM 1628 NE2 GLN B 112 15.404 9.424 7.112 1.00 0.00 N ATOM 0 H GLN B 112 13.112 7.542 4.158 1.00 0.00 H new ATOM 0 HA GLN B 112 15.134 5.578 3.579 1.00 0.00 H new ATOM 0 HB2 GLN B 112 15.790 5.991 5.941 1.00 0.00 H new ATOM 0 HB3 GLN B 112 15.805 7.402 4.901 1.00 0.00 H new ATOM 0 HG2 GLN B 112 13.624 8.115 5.847 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.625 6.711 6.896 1.00 0.00 H new ATOM 0 HE21 GLN B 112 15.111 9.829 6.223 1.00 0.00 H new ATOM 0 HE22 GLN B 112 15.945 9.981 7.773 1.00 0.00 H new ATOM 1637 N ASP B 113 12.472 4.684 5.163 1.00 0.00 N ATOM 1638 CA ASP B 113 11.705 3.518 5.623 1.00 0.00 C ATOM 1639 C ASP B 113 11.600 2.485 4.495 1.00 0.00 C ATOM 1640 O ASP B 113 11.882 1.296 4.694 1.00 0.00 O ATOM 1641 CB ASP B 113 10.320 3.970 6.108 1.00 0.00 C ATOM 1642 CG ASP B 113 9.380 2.851 6.512 1.00 0.00 C ATOM 1643 OD1 ASP B 113 9.544 2.262 7.607 1.00 0.00 O ATOM 1644 OD2 ASP B 113 8.426 2.582 5.772 1.00 0.00 O ATOM 0 H ASP B 113 11.928 5.545 5.109 1.00 0.00 H new ATOM 0 HA ASP B 113 12.218 3.045 6.461 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.451 4.638 6.959 1.00 0.00 H new ATOM 0 HB3 ASP B 113 9.848 4.552 5.316 1.00 0.00 H new ATOM 1649 N LEU B 114 11.288 2.964 3.291 1.00 0.00 N ATOM 1650 CA LEU B 114 11.206 2.105 2.115 1.00 0.00 C ATOM 1651 C LEU B 114 12.603 1.643 1.755 1.00 0.00 C ATOM 1652 O LEU B 114 12.782 0.579 1.251 1.00 0.00 O ATOM 1653 CB LEU B 114 10.586 2.848 0.918 1.00 0.00 C ATOM 1654 CG LEU B 114 9.485 2.113 0.136 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.965 0.782 -0.445 1.00 0.00 C ATOM 1656 CD2 LEU B 114 8.258 1.918 1.003 1.00 0.00 C ATOM 0 H LEU B 114 11.087 3.947 3.106 1.00 0.00 H new ATOM 0 HA LEU B 114 10.567 1.253 2.347 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.173 3.790 1.280 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.387 3.098 0.222 1.00 0.00 H new ATOM 0 HG LEU B 114 9.219 2.743 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.148 0.306 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.796 0.961 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU B 114 10.293 0.129 0.364 1.00 0.00 H new ATOM 0 HD21 LEU B 114 7.489 1.396 0.433 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.523 1.328 1.880 1.00 0.00 H new ATOM 0 HD23 LEU B 114 7.878 2.889 1.320 1.00 0.00 H new ATOM 1668 N LEU B 115 13.596 2.480 2.024 1.00 0.00 N ATOM 1669 CA LEU B 115 14.995 2.111 1.821 1.00 0.00 C ATOM 1670 C LEU B 115 15.367 0.921 2.728 1.00 0.00 C ATOM 1671 O LEU B 115 16.148 0.042 2.344 1.00 0.00 O ATOM 1672 CB LEU B 115 15.901 3.325 2.093 1.00 0.00 C ATOM 1673 CG LEU B 115 17.417 3.120 1.992 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.818 2.628 0.617 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.141 4.414 2.322 1.00 0.00 C ATOM 0 H LEU B 115 13.460 3.424 2.385 1.00 0.00 H new ATOM 0 HA LEU B 115 15.141 1.802 0.786 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.622 4.115 1.395 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.678 3.692 3.095 1.00 0.00 H new ATOM 0 HG LEU B 115 17.703 2.356 2.715 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.899 2.493 0.580 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.326 1.677 0.413 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.518 3.360 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.217 4.258 2.247 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.837 5.190 1.620 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.889 4.724 3.336 1.00 0.00 H new ATOM 1687 N THR B 116 14.760 0.882 3.893 1.00 0.00 N ATOM 1688 CA THR B 116 14.969 -0.184 4.840 1.00 0.00 C ATOM 1689 C THR B 116 14.290 -1.487 4.348 1.00 0.00 C ATOM 1690 O THR B 116 14.895 -2.569 4.387 1.00 0.00 O ATOM 1691 CB THR B 116 14.442 0.230 6.234 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.059 1.478 6.607 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.774 -0.825 7.287 1.00 0.00 C ATOM 0 H THR B 116 14.103 1.595 4.210 1.00 0.00 H new ATOM 0 HA THR B 116 16.038 -0.377 4.925 1.00 0.00 H new ATOM 0 HB THR B 116 13.358 0.332 6.182 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.751 2.188 6.006 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.391 -0.505 8.256 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.314 -1.773 7.010 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.855 -0.951 7.348 1.00 0.00 H new ATOM 1701 N SER B 117 13.066 -1.382 3.843 1.00 0.00 N ATOM 1702 CA SER B 117 12.372 -2.541 3.314 1.00 0.00 C ATOM 1703 C SER B 117 12.969 -2.968 1.952 1.00 0.00 C ATOM 1704 O SER B 117 12.929 -4.128 1.575 1.00 0.00 O ATOM 1705 CB SER B 117 10.884 -2.251 3.241 1.00 0.00 C ATOM 1706 OG SER B 117 10.649 -1.004 2.627 1.00 0.00 O ATOM 0 H SER B 117 12.540 -0.510 3.791 1.00 0.00 H new ATOM 0 HA SER B 117 12.510 -3.390 3.984 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.382 -3.039 2.679 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.458 -2.254 4.244 1.00 0.00 H new ATOM 0 HG SER B 117 9.855 -1.065 2.056 1.00 0.00 H new ATOM 1712 N ASP B 118 13.537 -2.008 1.262 1.00 0.00 N ATOM 1713 CA ASP B 118 14.292 -2.213 0.016 1.00 0.00 C ATOM 1714 C ASP B 118 15.505 -3.086 0.290 1.00 0.00 C ATOM 1715 O ASP B 118 15.816 -4.004 -0.468 1.00 0.00 O ATOM 1716 CB ASP B 118 14.742 -0.848 -0.488 1.00 0.00 C ATOM 1717 CG ASP B 118 15.691 -0.851 -1.652 1.00 0.00 C ATOM 1718 OD1 ASP B 118 16.895 -0.991 -1.435 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.280 -0.510 -2.755 1.00 0.00 O ATOM 0 H ASP B 118 13.494 -1.030 1.547 1.00 0.00 H new ATOM 0 HA ASP B 118 13.670 -2.707 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.857 -0.278 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.215 -0.316 0.338 1.00 0.00 H new ATOM 1724 N SER B 119 16.170 -2.793 1.400 1.00 0.00 N ATOM 1725 CA SER B 119 17.328 -3.542 1.844 1.00 0.00 C ATOM 1726 C SER B 119 16.892 -4.944 2.260 1.00 0.00 C ATOM 1727 O SER B 119 17.629 -5.915 2.098 1.00 0.00 O ATOM 1728 CB SER B 119 17.984 -2.809 3.025 1.00 0.00 C ATOM 1729 OG SER B 119 19.242 -3.382 3.394 1.00 0.00 O ATOM 0 H SER B 119 15.916 -2.023 2.019 1.00 0.00 H new ATOM 0 HA SER B 119 18.053 -3.625 1.035 1.00 0.00 H new ATOM 0 HB2 SER B 119 18.129 -1.761 2.763 1.00 0.00 H new ATOM 0 HB3 SER B 119 17.312 -2.833 3.883 1.00 0.00 H new ATOM 0 HG SER B 119 19.621 -2.882 4.147 1.00 0.00 H new ATOM 1735 N LEU B 120 15.688 -5.018 2.801 1.00 0.00 N ATOM 1736 CA LEU B 120 15.068 -6.250 3.213 1.00 0.00 C ATOM 1737 C LEU B 120 14.882 -7.136 1.954 1.00 0.00 C ATOM 1738 O LEU B 120 15.279 -8.315 1.940 1.00 0.00 O ATOM 1739 CB LEU B 120 13.711 -5.878 3.897 1.00 0.00 C ATOM 1740 CG LEU B 120 12.914 -6.944 4.661 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.681 -6.311 5.293 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.463 -8.039 3.759 1.00 0.00 C ATOM 0 H LEU B 120 15.106 -4.197 2.967 1.00 0.00 H new ATOM 0 HA LEU B 120 15.669 -6.814 3.927 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.913 -5.064 4.594 1.00 0.00 H new ATOM 0 HB3 LEU B 120 13.057 -5.479 3.122 1.00 0.00 H new ATOM 0 HG LEU B 120 13.572 -7.359 5.425 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.118 -7.072 5.834 1.00 0.00 H new ATOM 0 HD12 LEU B 120 11.989 -5.527 5.984 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.052 -5.881 4.513 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.902 -8.776 4.334 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.825 -7.627 2.977 1.00 0.00 H new ATOM 0 HD23 LEU B 120 13.331 -8.517 3.305 1.00 0.00 H new ATOM 1754 N SER B 121 14.282 -6.561 0.914 1.00 0.00 N ATOM 1755 CA SER B 121 14.092 -7.241 -0.353 1.00 0.00 C ATOM 1756 C SER B 121 15.438 -7.624 -0.963 1.00 0.00 C ATOM 1757 O SER B 121 15.660 -8.798 -1.317 1.00 0.00 O ATOM 1758 CB SER B 121 13.336 -6.337 -1.316 1.00 0.00 C ATOM 1759 OG SER B 121 12.096 -5.955 -0.774 1.00 0.00 O ATOM 0 H SER B 121 13.916 -5.609 0.932 1.00 0.00 H new ATOM 0 HA SER B 121 13.515 -8.149 -0.175 1.00 0.00 H new ATOM 0 HB2 SER B 121 13.932 -5.450 -1.533 1.00 0.00 H new ATOM 0 HB3 SER B 121 13.180 -6.856 -2.262 1.00 0.00 H new ATOM 0 HG SER B 121 11.683 -6.724 -0.329 1.00 0.00 H new ATOM 1765 N HIS B 122 16.318 -6.622 -1.087 1.00 0.00 N ATOM 1766 CA HIS B 122 17.675 -6.768 -1.627 1.00 0.00 C ATOM 1767 C HIS B 122 17.608 -7.290 -3.081 1.00 0.00 C ATOM 1768 O HIS B 122 18.527 -7.947 -3.580 1.00 0.00 O ATOM 1769 CB HIS B 122 18.500 -7.711 -0.716 1.00 0.00 C ATOM 1770 CG HIS B 122 19.986 -7.587 -0.877 1.00 0.00 C ATOM 1771 ND1 HIS B 122 20.786 -8.512 -1.511 1.00 0.00 N ATOM 1772 CD2 HIS B 122 20.815 -6.615 -0.445 1.00 0.00 C ATOM 1773 CE1 HIS B 122 22.046 -8.085 -1.443 1.00 0.00 C ATOM 1774 NE2 HIS B 122 22.118 -6.929 -0.801 1.00 0.00 N ATOM 0 H HIS B 122 16.101 -5.665 -0.808 1.00 0.00 H new ATOM 0 HA HIS B 122 18.173 -5.799 -1.645 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.242 -7.509 0.324 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.209 -8.741 -0.922 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.511 -5.730 0.094 1.00 0.00 H new ATOM 0 HE1 HIS B 122 22.894 -8.611 -1.856 1.00 0.00 H new ATOM 0 HE2 HIS B 122 22.958 -6.383 -0.608 1.00 0.00 H new ATOM 1782 N SER B 123 16.540 -6.940 -3.754 1.00 0.00 N ATOM 1783 CA SER B 123 16.277 -7.394 -5.087 1.00 0.00 C ATOM 1784 C SER B 123 15.507 -6.327 -5.868 1.00 0.00 C ATOM 1785 O SER B 123 15.086 -5.315 -5.291 1.00 0.00 O ATOM 1786 CB SER B 123 15.507 -8.719 -5.007 1.00 0.00 C ATOM 1787 OG SER B 123 14.504 -8.658 -3.996 1.00 0.00 O ATOM 0 H SER B 123 15.820 -6.321 -3.380 1.00 0.00 H new ATOM 0 HA SER B 123 17.210 -7.565 -5.624 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.046 -8.937 -5.971 1.00 0.00 H new ATOM 0 HB3 SER B 123 16.198 -9.534 -4.792 1.00 0.00 H new ATOM 0 HG SER B 123 14.909 -8.836 -3.122 1.00 0.00 H new ATOM 1793 N ASP B 124 15.361 -6.529 -7.162 1.00 0.00 N ATOM 1794 CA ASP B 124 14.647 -5.588 -8.026 1.00 0.00 C ATOM 1795 C ASP B 124 13.172 -5.946 -8.112 1.00 0.00 C ATOM 1796 O ASP B 124 12.815 -7.125 -8.263 1.00 0.00 O ATOM 1797 CB ASP B 124 15.273 -5.567 -9.431 1.00 0.00 C ATOM 1798 CG ASP B 124 14.498 -4.715 -10.414 1.00 0.00 C ATOM 1799 OD1 ASP B 124 14.596 -3.481 -10.368 1.00 0.00 O ATOM 1800 OD2 ASP B 124 13.782 -5.273 -11.273 1.00 0.00 O ATOM 0 H ASP B 124 15.730 -7.345 -7.651 1.00 0.00 H new ATOM 0 HA ASP B 124 14.734 -4.593 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP B 124 16.294 -5.193 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP B 124 15.332 -6.587 -9.811 1.00 0.00 H new ATOM 1805 N GLY B 125 12.323 -4.948 -8.011 1.00 0.00 N ATOM 1806 CA GLY B 125 10.909 -5.161 -8.083 1.00 0.00 C ATOM 1807 C GLY B 125 10.173 -3.857 -8.241 1.00 0.00 C ATOM 1808 O GLY B 125 10.796 -2.785 -8.227 1.00 0.00 O ATOM 0 H GLY B 125 12.598 -3.975 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY B 125 10.679 -5.816 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY B 125 10.568 -5.668 -7.180 1.00 0.00 H new ATOM 1812 N GLY B 126 8.880 -3.938 -8.417 1.00 0.00 N ATOM 1813 CA GLY B 126 8.065 -2.753 -8.555 1.00 0.00 C ATOM 1814 C GLY B 126 6.610 -3.111 -8.727 1.00 0.00 C ATOM 1815 O GLY B 126 5.897 -2.505 -9.521 1.00 0.00 O ATOM 0 H GLY B 126 8.364 -4.816 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY B 126 8.185 -2.121 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY B 126 8.404 -2.173 -9.413 1.00 0.00 H new ATOM 1819 N GLY B 127 6.182 -4.134 -8.020 1.00 0.00 N ATOM 1820 CA GLY B 127 4.807 -4.550 -8.085 1.00 0.00 C ATOM 1821 C GLY B 127 4.518 -5.345 -9.329 1.00 0.00 C ATOM 1822 O GLY B 127 5.428 -5.648 -10.108 1.00 0.00 O ATOM 0 H GLY B 127 6.768 -4.689 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.568 -5.150 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.161 -3.673 -8.057 1.00 0.00 H new ATOM 1826 N SER B 128 3.285 -5.717 -9.510 1.00 0.00 N ATOM 1827 CA SER B 128 2.868 -6.451 -10.673 1.00 0.00 C ATOM 1828 C SER B 128 1.432 -6.063 -11.009 1.00 0.00 C ATOM 1829 O SER B 128 0.586 -5.941 -10.104 1.00 0.00 O ATOM 1830 CB SER B 128 2.982 -7.958 -10.412 1.00 0.00 C ATOM 1831 OG SER B 128 4.320 -8.320 -10.025 1.00 0.00 O ATOM 0 H SER B 128 2.533 -5.519 -8.850 1.00 0.00 H new ATOM 0 HA SER B 128 3.511 -6.209 -11.519 1.00 0.00 H new ATOM 0 HB2 SER B 128 2.283 -8.248 -9.627 1.00 0.00 H new ATOM 0 HB3 SER B 128 2.699 -8.508 -11.310 1.00 0.00 H new ATOM 0 HG SER B 128 4.364 -9.286 -9.863 1.00 0.00 H new ATOM 1837 N GLY B 129 1.175 -5.810 -12.271 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.140 -5.436 -12.696 1.00 0.00 C ATOM 1839 C GLY B 129 -0.104 -4.648 -13.979 1.00 0.00 C ATOM 1840 O GLY B 129 0.858 -3.903 -14.242 1.00 0.00 O ATOM 0 H GLY B 129 1.867 -5.859 -13.019 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -0.747 -6.331 -12.835 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -0.620 -4.843 -11.917 1.00 0.00 H new ATOM 1844 N GLY B 130 -1.110 -4.826 -14.788 1.00 0.00 N ATOM 1845 CA GLY B 130 -1.214 -4.110 -16.027 1.00 0.00 C ATOM 1846 C GLY B 130 -2.261 -3.043 -15.921 1.00 0.00 C ATOM 1847 O GLY B 130 -2.229 -2.227 -14.992 1.00 0.00 O ATOM 0 H GLY B 130 -1.880 -5.470 -14.607 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -0.252 -3.663 -16.279 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -1.466 -4.799 -16.833 1.00 0.00 H new ATOM 1851 N GLY B 131 -3.183 -3.036 -16.839 1.00 0.00 N ATOM 1852 CA GLY B 131 -4.251 -2.091 -16.785 1.00 0.00 C ATOM 1853 C GLY B 131 -4.958 -1.959 -18.107 1.00 0.00 C ATOM 1854 O GLY B 131 -4.589 -1.133 -18.934 1.00 0.00 O ATOM 0 H GLY B 131 -3.214 -3.676 -17.633 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -4.966 -2.396 -16.021 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -3.859 -1.119 -16.485 1.00 0.00 H new ATOM 1858 N SER B 132 -5.946 -2.782 -18.329 1.00 0.00 N ATOM 1859 CA SER B 132 -6.695 -2.703 -19.554 1.00 0.00 C ATOM 1860 C SER B 132 -7.933 -1.791 -19.460 1.00 0.00 C ATOM 1861 O SER B 132 -8.143 -0.961 -20.335 1.00 0.00 O ATOM 1862 CB SER B 132 -6.991 -4.097 -20.135 1.00 0.00 C ATOM 1863 OG SER B 132 -7.388 -5.030 -19.131 1.00 0.00 O ATOM 0 H SER B 132 -6.250 -3.510 -17.683 1.00 0.00 H new ATOM 0 HA SER B 132 -6.052 -2.204 -20.279 1.00 0.00 H new ATOM 0 HB2 SER B 132 -7.779 -4.016 -20.884 1.00 0.00 H new ATOM 0 HB3 SER B 132 -6.103 -4.471 -20.645 1.00 0.00 H new ATOM 0 HG SER B 132 -7.872 -4.560 -18.420 1.00 0.00 H new ATOM 1869 N GLY B 133 -8.728 -1.907 -18.397 1.00 0.00 N ATOM 1870 CA GLY B 133 -9.904 -1.051 -18.297 1.00 0.00 C ATOM 1871 C GLY B 133 -10.418 -0.901 -16.884 1.00 0.00 C ATOM 1872 O GLY B 133 -10.318 -1.829 -16.089 1.00 0.00 O ATOM 0 H GLY B 133 -8.588 -2.557 -17.624 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -9.662 -0.065 -18.694 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -10.697 -1.461 -18.923 1.00 0.00 H new ATOM 1876 N GLY B 134 -10.948 0.263 -16.575 1.00 0.00 N ATOM 1877 CA GLY B 134 -11.495 0.545 -15.270 1.00 0.00 C ATOM 1878 C GLY B 134 -12.513 1.670 -15.352 1.00 0.00 C ATOM 1879 O GLY B 134 -12.382 2.557 -16.203 1.00 0.00 O ATOM 0 H GLY B 134 -11.011 1.044 -17.228 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -11.966 -0.351 -14.865 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -10.693 0.821 -14.585 1.00 0.00 H new ATOM 1883 N GLY B 135 -13.527 1.621 -14.508 1.00 0.00 N ATOM 1884 CA GLY B 135 -14.562 2.648 -14.498 1.00 0.00 C ATOM 1885 C GLY B 135 -15.143 2.864 -13.107 1.00 0.00 C ATOM 1886 O GLY B 135 -16.172 3.538 -12.940 1.00 0.00 O ATOM 0 H GLY B 135 -13.659 0.881 -13.818 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -14.145 3.586 -14.866 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -15.360 2.364 -15.184 1.00 0.00 H new ATOM 1890 N SER B 136 -14.491 2.290 -12.119 1.00 0.00 N ATOM 1891 CA SER B 136 -14.884 2.383 -10.740 1.00 0.00 C ATOM 1892 C SER B 136 -13.675 1.944 -9.916 1.00 0.00 C ATOM 1893 O SER B 136 -12.574 1.840 -10.457 1.00 0.00 O ATOM 1894 CB SER B 136 -16.103 1.466 -10.468 1.00 0.00 C ATOM 1895 OG SER B 136 -16.603 1.635 -9.141 1.00 0.00 O ATOM 0 H SER B 136 -13.650 1.731 -12.263 1.00 0.00 H new ATOM 0 HA SER B 136 -15.183 3.398 -10.477 1.00 0.00 H new ATOM 0 HB2 SER B 136 -16.893 1.687 -11.186 1.00 0.00 H new ATOM 0 HB3 SER B 136 -15.817 0.425 -10.620 1.00 0.00 H new ATOM 0 HG SER B 136 -16.967 0.784 -8.818 1.00 0.00 H new ATOM 1901 N LEU B 137 -13.861 1.698 -8.645 1.00 0.00 N ATOM 1902 CA LEU B 137 -12.770 1.249 -7.820 1.00 0.00 C ATOM 1903 C LEU B 137 -12.890 -0.238 -7.503 1.00 0.00 C ATOM 1904 O LEU B 137 -11.977 -0.980 -7.688 1.00 0.00 O ATOM 1905 CB LEU B 137 -12.619 2.066 -6.503 1.00 0.00 C ATOM 1906 CG LEU B 137 -13.741 1.965 -5.440 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.228 2.445 -4.094 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -14.969 2.777 -5.836 1.00 0.00 C ATOM 0 H LEU B 137 -14.753 1.800 -8.161 1.00 0.00 H new ATOM 0 HA LEU B 137 -11.867 1.418 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -11.685 1.763 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -12.513 3.116 -6.774 1.00 0.00 H new ATOM 0 HG LEU B 137 -14.035 0.918 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.024 2.370 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -12.385 1.827 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -12.906 3.483 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -15.733 2.680 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -14.693 3.826 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -15.360 2.406 -6.783 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.041 -0.649 -7.060 1.00 0.00 N ATOM 1921 CA GLU B 138 -14.243 -1.994 -6.560 1.00 0.00 C ATOM 1922 C GLU B 138 -14.519 -3.053 -7.618 1.00 0.00 C ATOM 1923 O GLU B 138 -13.944 -4.143 -7.567 1.00 0.00 O ATOM 1924 CB GLU B 138 -15.261 -2.006 -5.399 1.00 0.00 C ATOM 1925 CG GLU B 138 -16.375 -0.947 -5.490 1.00 0.00 C ATOM 1926 CD GLU B 138 -17.213 -1.035 -6.743 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -16.766 -0.536 -7.803 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -18.317 -1.581 -6.693 1.00 0.00 O ATOM 0 H GLU B 138 -14.876 -0.064 -7.031 1.00 0.00 H new ATOM 0 HA GLU B 138 -13.276 -2.304 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -15.723 -2.992 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -14.721 -1.862 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -17.027 -1.047 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -15.924 0.044 -5.437 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.370 -2.752 -8.553 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.747 -3.723 -9.549 1.00 0.00 C ATOM 1937 C CYS B 139 -14.784 -3.713 -10.747 1.00 0.00 C ATOM 1938 O CYS B 139 -14.199 -4.739 -11.088 1.00 0.00 O ATOM 1939 CB CYS B 139 -17.196 -3.485 -9.987 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.894 -4.792 -11.012 1.00 0.00 S ATOM 0 H CYS B 139 -15.820 -1.842 -8.651 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.679 -4.716 -9.104 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.816 -3.368 -9.098 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.246 -2.545 -10.536 1.00 0.00 H new ATOM 0 HG CYS B 139 -19.120 -4.491 -11.323 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.586 -2.556 -11.350 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.730 -2.446 -12.531 1.00 0.00 C ATOM 1948 C ASP B 140 -12.739 -1.317 -12.291 1.00 0.00 C ATOM 1949 O ASP B 140 -13.072 -0.152 -12.467 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.600 -2.180 -13.770 1.00 0.00 C ATOM 1951 CG ASP B 140 -13.864 -2.336 -15.079 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -13.423 -3.471 -15.386 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -13.782 -1.369 -15.851 1.00 0.00 O ATOM 0 H ASP B 140 -15.003 -1.676 -11.047 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.180 -3.371 -12.706 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.450 -2.863 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -15.003 -1.169 -13.709 1.00 0.00 H new ATOM 1958 N MET B 141 -11.552 -1.671 -11.828 1.00 0.00 N ATOM 1959 CA MET B 141 -10.575 -0.683 -11.307 1.00 0.00 C ATOM 1960 C MET B 141 -9.412 -0.302 -12.228 1.00 0.00 C ATOM 1961 O MET B 141 -9.062 0.874 -12.293 1.00 0.00 O ATOM 1962 CB MET B 141 -9.999 -1.162 -9.965 1.00 0.00 C ATOM 1963 CG MET B 141 -9.307 -2.522 -10.048 1.00 0.00 C ATOM 1964 SD MET B 141 -8.475 -3.029 -8.538 1.00 0.00 S ATOM 1965 CE MET B 141 -9.833 -3.163 -7.379 1.00 0.00 C ATOM 0 H MET B 141 -11.225 -2.636 -11.795 1.00 0.00 H new ATOM 0 HA MET B 141 -11.168 0.226 -11.208 1.00 0.00 H new ATOM 0 HB2 MET B 141 -9.286 -0.422 -9.600 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.804 -1.217 -9.232 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.048 -3.277 -10.310 1.00 0.00 H new ATOM 0 HG3 MET B 141 -8.578 -2.496 -10.858 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.651 -3.996 -6.700 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.915 -2.239 -6.806 1.00 0.00 H new ATOM 0 HE3 MET B 141 -10.761 -3.335 -7.924 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.867 -1.286 -12.946 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.554 -1.211 -13.661 1.00 0.00 C ATOM 1977 C GLU B 142 -6.990 0.168 -14.023 1.00 0.00 C ATOM 1978 O GLU B 142 -5.944 0.559 -13.504 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.525 -2.067 -14.883 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.580 -3.543 -14.634 1.00 0.00 C ATOM 1981 CD GLU B 142 -7.336 -4.270 -15.902 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -8.245 -4.349 -16.742 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -6.199 -4.693 -16.141 1.00 0.00 O ATOM 0 H GLU B 142 -9.325 -2.190 -13.061 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.891 -1.584 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.366 -1.791 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -6.616 -1.843 -15.441 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -6.833 -3.825 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.553 -3.817 -14.227 1.00 0.00 H new ATOM 1990 N SER B 143 -7.663 0.894 -14.885 1.00 0.00 N ATOM 1991 CA SER B 143 -7.102 2.132 -15.409 1.00 0.00 C ATOM 1992 C SER B 143 -6.988 3.200 -14.330 1.00 0.00 C ATOM 1993 O SER B 143 -5.935 3.849 -14.173 1.00 0.00 O ATOM 1994 CB SER B 143 -7.926 2.611 -16.594 1.00 0.00 C ATOM 1995 OG SER B 143 -9.301 2.626 -16.259 1.00 0.00 O ATOM 0 H SER B 143 -8.590 0.658 -15.239 1.00 0.00 H new ATOM 0 HA SER B 143 -6.087 1.934 -15.753 1.00 0.00 H new ATOM 0 HB2 SER B 143 -7.605 3.610 -16.889 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.760 1.957 -17.450 1.00 0.00 H new ATOM 0 HG SER B 143 -9.822 2.937 -17.029 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.042 3.325 -13.553 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.115 4.303 -12.503 1.00 0.00 C ATOM 2003 C ILE B 144 -7.106 3.976 -11.421 1.00 0.00 C ATOM 2004 O ILE B 144 -6.333 4.837 -11.008 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.537 4.357 -11.878 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.585 4.640 -12.965 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.605 5.416 -10.772 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -12.007 4.695 -12.450 1.00 0.00 C ATOM 0 H ILE B 144 -8.876 2.744 -13.637 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.891 5.277 -12.939 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.754 3.387 -11.430 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.347 5.588 -13.446 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.517 3.868 -13.731 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.609 5.436 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.886 5.172 -9.990 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.368 6.394 -11.190 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.686 4.899 -13.278 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.266 3.739 -11.995 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.094 5.487 -11.706 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.066 2.715 -11.020 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.212 2.312 -9.923 1.00 0.00 C ATOM 2022 C ILE B 145 -4.732 2.421 -10.275 1.00 0.00 C ATOM 2023 O ILE B 145 -3.918 2.749 -9.434 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.575 0.908 -9.342 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.845 0.684 -8.015 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.246 -0.214 -10.329 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.267 -0.564 -7.291 1.00 0.00 C ATOM 0 H ILE B 145 -7.612 1.961 -11.436 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.404 3.025 -9.121 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.651 0.886 -9.167 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.773 0.637 -8.205 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.017 1.544 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.512 -1.175 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.812 -0.067 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.179 -0.201 -10.553 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.705 -0.653 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.333 -0.513 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.069 -1.433 -7.918 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.388 2.183 -11.514 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.011 2.337 -11.912 1.00 0.00 C ATOM 2041 C ARG B 146 -2.611 3.811 -11.908 1.00 0.00 C ATOM 2042 O ARG B 146 -1.659 4.193 -11.240 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.731 1.685 -13.265 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.296 1.868 -13.742 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.002 1.039 -14.975 1.00 0.00 C ATOM 2046 NE ARG B 146 -1.902 1.349 -16.087 1.00 0.00 N ATOM 2047 CZ ARG B 146 -1.883 0.744 -17.275 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -0.982 -0.215 -17.525 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -2.777 1.082 -18.203 1.00 0.00 N ATOM 0 H ARG B 146 -5.027 1.888 -12.252 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.395 1.816 -11.179 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -2.950 0.619 -13.198 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.409 2.104 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.117 2.921 -13.961 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.609 1.588 -12.943 1.00 0.00 H new ATOM 0 HD2 ARG B 146 0.028 1.211 -15.287 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.088 -0.019 -14.727 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.596 2.083 -15.942 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.310 -0.483 -16.806 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -0.968 -0.677 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -3.472 1.801 -18.003 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -2.766 0.622 -19.113 1.00 0.00 H new ATOM 2063 N SER B 147 -3.385 4.633 -12.586 1.00 0.00 N ATOM 2064 CA SER B 147 -3.065 6.043 -12.712 1.00 0.00 C ATOM 2065 C SER B 147 -3.110 6.785 -11.357 1.00 0.00 C ATOM 2066 O SER B 147 -2.243 7.613 -11.069 1.00 0.00 O ATOM 2067 CB SER B 147 -4.021 6.677 -13.703 1.00 0.00 C ATOM 2068 OG SER B 147 -4.022 5.932 -14.915 1.00 0.00 O ATOM 0 H SER B 147 -4.243 4.350 -13.060 1.00 0.00 H new ATOM 0 HA SER B 147 -2.040 6.128 -13.073 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.027 6.708 -13.284 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.726 7.708 -13.899 1.00 0.00 H new ATOM 0 HG SER B 147 -4.633 5.170 -14.830 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.110 6.483 -10.546 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.279 7.155 -9.273 1.00 0.00 C ATOM 2076 C GLU B 148 -3.377 6.578 -8.185 1.00 0.00 C ATOM 2077 O GLU B 148 -2.790 7.325 -7.398 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.760 7.118 -8.840 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.071 7.844 -7.531 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.553 7.931 -7.261 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.206 8.847 -7.811 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.099 7.101 -6.515 1.00 0.00 O ATOM 0 H GLU B 148 -4.817 5.776 -10.749 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.977 8.193 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.365 7.556 -9.633 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.068 6.077 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.584 7.325 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.651 8.849 -7.567 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.236 5.271 -8.170 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.592 4.613 -7.060 1.00 0.00 C ATOM 2091 C LEU B 149 -1.120 4.253 -7.264 1.00 0.00 C ATOM 2092 O LEU B 149 -0.377 4.243 -6.287 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.491 3.440 -6.543 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.031 2.594 -5.336 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.221 1.908 -4.692 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.050 1.532 -5.765 1.00 0.00 C ATOM 0 H LEU B 149 -3.557 4.647 -8.911 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.511 5.350 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.464 3.863 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.646 2.757 -7.378 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.553 3.268 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.883 1.315 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.933 2.659 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.703 1.256 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.741 0.950 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.522 0.874 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.176 2.004 -6.215 1.00 0.00 H new ATOM 2108 N MET B 150 -0.658 3.970 -8.482 1.00 0.00 N ATOM 2109 CA MET B 150 0.751 3.565 -8.601 1.00 0.00 C ATOM 2110 C MET B 150 1.333 3.566 -10.005 1.00 0.00 C ATOM 2111 O MET B 150 0.881 2.846 -10.895 1.00 0.00 O ATOM 2112 CB MET B 150 1.001 2.181 -7.947 1.00 0.00 C ATOM 2113 CG MET B 150 0.130 1.050 -8.503 1.00 0.00 C ATOM 2114 SD MET B 150 0.470 -0.560 -7.753 1.00 0.00 S ATOM 2115 CE MET B 150 2.120 -0.889 -8.368 1.00 0.00 C ATOM 0 H MET B 150 -1.193 4.007 -9.350 1.00 0.00 H new ATOM 0 HA MET B 150 1.279 4.352 -8.063 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.049 1.914 -8.080 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.827 2.263 -6.874 1.00 0.00 H new ATOM 0 HG2 MET B 150 -0.919 1.300 -8.347 1.00 0.00 H new ATOM 0 HG3 MET B 150 0.284 0.980 -9.580 1.00 0.00 H new ATOM 0 HE1 MET B 150 2.499 -1.807 -7.919 1.00 0.00 H new ATOM 0 HE2 MET B 150 2.089 -1.001 -9.452 1.00 0.00 H new ATOM 0 HE3 MET B 150 2.777 -0.059 -8.108 1.00 0.00 H new ATOM 2125 N ASP B 151 2.347 4.371 -10.192 1.00 0.00 N ATOM 2126 CA ASP B 151 3.180 4.259 -11.370 1.00 0.00 C ATOM 2127 C ASP B 151 4.306 3.371 -10.970 1.00 0.00 C ATOM 2128 O ASP B 151 5.014 3.688 -10.005 1.00 0.00 O ATOM 2129 CB ASP B 151 3.784 5.589 -11.857 1.00 0.00 C ATOM 2130 CG ASP B 151 2.837 6.515 -12.566 1.00 0.00 C ATOM 2131 OD1 ASP B 151 2.265 6.130 -13.614 1.00 0.00 O ATOM 2132 OD2 ASP B 151 2.698 7.672 -12.129 1.00 0.00 O ATOM 0 H ASP B 151 2.619 5.112 -9.546 1.00 0.00 H new ATOM 0 HA ASP B 151 2.566 3.890 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP B 151 4.200 6.114 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP B 151 4.614 5.366 -12.527 1.00 0.00 H new ATOM 2137 N ALA B 152 4.462 2.279 -11.646 1.00 0.00 N ATOM 2138 CA ALA B 152 5.484 1.310 -11.334 1.00 0.00 C ATOM 2139 C ALA B 152 5.619 0.354 -12.494 1.00 0.00 C ATOM 2140 O ALA B 152 4.743 -0.522 -12.662 1.00 0.00 O ATOM 2141 CB ALA B 152 5.152 0.559 -10.047 1.00 0.00 C ATOM 2142 OXT ALA B 152 6.579 0.483 -13.271 1.00 0.00 O ATOM 0 H ALA B 152 3.879 2.024 -12.443 1.00 0.00 H new ATOM 0 HA ALA B 152 6.432 1.824 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA B 152 5.939 -0.165 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.078 1.267 -9.221 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.202 0.038 -10.164 1.00 0.00 H new TER 2148 ALA B 152