USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1151 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 95 ASN : amide:sc= -2.25 X(o=-2.2,f=-2.4) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc= -0.0212 K(o=0.28,f=-2.1) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.296 K(o=0.28,f=-1) USER MOD Set 3.1: A 26 SER OG : rot -150:sc= 0 USER MOD Set 3.2: A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 18 SER OG : rot -143:sc= 0.414 USER MOD Set 4.2: A 21 SER OG : rot -176:sc= -0.515 USER MOD Set 5.1: A 9 THR OG1 : rot 81:sc= -0.309 USER MOD Set 5.2: A 42 MET CE :methyl -168:sc= -1.17 (180deg=-1.15) USER MOD Single : A 4 SER OG : rot 150:sc= -0.46 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.06! C(o=-7.1!,f=-14!) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.337 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 70:sc= 1.18 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -2.36 K(o=-2.4,f=-3.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 0.0211 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 147:sc= -0.665 USER MOD Single : A 47 MET CE :methyl -129:sc= -2.67! (180deg=-6.59!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.707 K(o=-0.71,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot -90:sc= 0.0418 USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= 0.544 (180deg=-0.262) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -143:sc= -1.78 (180deg=-5.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0657 (180deg=-0.633) USER MOD Single : A 74 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= -0.0789 (180deg=-1.23) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.233 F(o=-1.7,f=-0.23) USER MOD Single : A 82 SER OG : rot 180:sc= -0.544 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.81) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.28) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.3!) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.285 F(o=-0.86,f=-0.29) USER MOD Single : A 130 SER OG : rot 170:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc=-0.00263 X(o=-0.0026,f=-0.014) USER MOD Single : A 138 HIS : no HD1:sc= 0.0117 K(o=0.012,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 9.483 -7.818 -4.059 1.00 32.25 N ATOM 2 CA ALA A 2 8.273 -7.006 -4.062 1.00 54.24 C ATOM 3 C ALA A 2 7.656 -6.933 -2.670 1.00 2.55 C ATOM 4 O ALA A 2 7.829 -7.839 -1.855 1.00 5.05 O ATOM 5 CB ALA A 2 7.266 -7.563 -5.058 1.00 42.45 C ATOM 0 HA ALA A 2 8.546 -5.995 -4.363 1.00 54.24 H new ATOM 0 HB1 ALA A 2 6.367 -6.947 -5.050 1.00 42.45 H new ATOM 0 HB2 ALA A 2 7.701 -7.557 -6.057 1.00 42.45 H new ATOM 0 HB3 ALA A 2 7.008 -8.585 -4.781 1.00 42.45 H new ATOM 11 N PHE A 3 6.936 -5.848 -2.402 1.00 45.24 N ATOM 12 CA PHE A 3 6.295 -5.656 -1.107 1.00 4.43 C ATOM 13 C PHE A 3 4.854 -6.156 -1.133 1.00 41.15 C ATOM 14 O PHE A 3 4.134 -5.955 -2.111 1.00 40.14 O ATOM 15 CB PHE A 3 6.327 -4.178 -0.713 1.00 10.54 C ATOM 16 CG PHE A 3 5.491 -3.861 0.494 1.00 12.03 C ATOM 17 CD1 PHE A 3 5.634 -4.590 1.664 1.00 65.44 C ATOM 18 CD2 PHE A 3 4.562 -2.834 0.460 1.00 53.21 C ATOM 19 CE1 PHE A 3 4.866 -4.302 2.775 1.00 13.33 C ATOM 20 CE2 PHE A 3 3.790 -2.540 1.569 1.00 64.14 C ATOM 21 CZ PHE A 3 3.943 -3.275 2.728 1.00 5.52 C ATOM 0 H PHE A 3 6.782 -5.088 -3.065 1.00 45.24 H new ATOM 0 HA PHE A 3 6.848 -6.235 -0.367 1.00 4.43 H new ATOM 0 HB2 PHE A 3 7.358 -3.885 -0.518 1.00 10.54 H new ATOM 0 HB3 PHE A 3 5.979 -3.578 -1.554 1.00 10.54 H new ATOM 0 HD1 PHE A 3 6.355 -5.393 1.707 1.00 65.44 H new ATOM 0 HD2 PHE A 3 4.439 -2.256 -0.444 1.00 53.21 H new ATOM 0 HE1 PHE A 3 4.987 -4.879 3.680 1.00 13.33 H new ATOM 0 HE2 PHE A 3 3.069 -1.737 1.529 1.00 64.14 H new ATOM 0 HZ PHE A 3 3.342 -3.047 3.596 1.00 5.52 H new ATOM 31 N SER A 4 4.441 -6.809 -0.052 1.00 74.13 N ATOM 32 CA SER A 4 3.087 -7.343 0.048 1.00 41.55 C ATOM 33 C SER A 4 2.561 -7.226 1.475 1.00 24.50 C ATOM 34 O SER A 4 3.115 -7.817 2.402 1.00 22.12 O ATOM 35 CB SER A 4 3.058 -8.805 -0.401 1.00 41.24 C ATOM 36 OG SER A 4 1.766 -9.175 -0.850 1.00 31.02 O ATOM 0 H SER A 4 5.024 -6.981 0.767 1.00 74.13 H new ATOM 0 HA SER A 4 2.442 -6.757 -0.607 1.00 41.55 H new ATOM 0 HB2 SER A 4 3.782 -8.957 -1.201 1.00 41.24 H new ATOM 0 HB3 SER A 4 3.357 -9.449 0.426 1.00 41.24 H new ATOM 0 HG SER A 4 1.845 -9.869 -1.538 1.00 31.02 H new ATOM 42 N SER A 5 1.488 -6.460 1.643 1.00 22.52 N ATOM 43 CA SER A 5 0.889 -6.263 2.958 1.00 54.23 C ATOM 44 C SER A 5 0.548 -7.601 3.606 1.00 20.03 C ATOM 45 O SER A 5 0.500 -7.714 4.831 1.00 72.44 O ATOM 46 CB SER A 5 -0.372 -5.404 2.843 1.00 50.54 C ATOM 47 OG SER A 5 -1.213 -5.869 1.802 1.00 73.24 O ATOM 0 H SER A 5 1.016 -5.966 0.886 1.00 22.52 H new ATOM 0 HA SER A 5 1.615 -5.749 3.587 1.00 54.23 H new ATOM 0 HB2 SER A 5 -0.915 -5.421 3.788 1.00 50.54 H new ATOM 0 HB3 SER A 5 -0.094 -4.367 2.654 1.00 50.54 H new ATOM 0 HG SER A 5 -2.012 -5.304 1.750 1.00 73.24 H new ATOM 53 N GLU A 6 0.313 -8.612 2.775 1.00 12.42 N ATOM 54 CA GLU A 6 -0.024 -9.942 3.268 1.00 72.15 C ATOM 55 C GLU A 6 1.164 -10.573 3.987 1.00 23.03 C ATOM 56 O GLU A 6 0.993 -11.331 4.941 1.00 21.42 O ATOM 57 CB GLU A 6 -0.470 -10.840 2.112 1.00 62.24 C ATOM 58 CG GLU A 6 0.667 -11.262 1.196 1.00 72.04 C ATOM 59 CD GLU A 6 0.189 -11.629 -0.196 1.00 40.30 C ATOM 60 OE1 GLU A 6 -0.860 -11.103 -0.621 1.00 54.45 O ATOM 61 OE2 GLU A 6 0.866 -12.442 -0.860 1.00 34.13 O ATOM 0 H GLU A 6 0.350 -8.535 1.759 1.00 12.42 H new ATOM 0 HA GLU A 6 -0.844 -9.841 3.978 1.00 72.15 H new ATOM 0 HB2 GLU A 6 -0.948 -11.731 2.519 1.00 62.24 H new ATOM 0 HB3 GLU A 6 -1.223 -10.315 1.524 1.00 62.24 H new ATOM 0 HG2 GLU A 6 1.392 -10.451 1.125 1.00 72.04 H new ATOM 0 HG3 GLU A 6 1.185 -12.115 1.635 1.00 72.04 H new ATOM 68 N GLN A 7 2.368 -10.254 3.522 1.00 13.21 N ATOM 69 CA GLN A 7 3.584 -10.790 4.120 1.00 24.34 C ATOM 70 C GLN A 7 3.781 -10.249 5.533 1.00 73.42 C ATOM 71 O GLN A 7 4.006 -11.010 6.474 1.00 23.12 O ATOM 72 CB GLN A 7 4.798 -10.445 3.256 1.00 42.20 C ATOM 73 CG GLN A 7 5.295 -11.607 2.412 1.00 74.51 C ATOM 74 CD GLN A 7 6.768 -11.496 2.074 1.00 42.11 C ATOM 75 OE1 GLN A 7 7.630 -11.705 2.928 1.00 64.23 O ATOM 76 NE2 GLN A 7 7.065 -11.165 0.823 1.00 45.33 N ATOM 0 H GLN A 7 2.527 -9.627 2.733 1.00 13.21 H new ATOM 0 HA GLN A 7 3.483 -11.874 4.176 1.00 24.34 H new ATOM 0 HB2 GLN A 7 4.541 -9.614 2.599 1.00 42.20 H new ATOM 0 HB3 GLN A 7 5.607 -10.103 3.901 1.00 42.20 H new ATOM 0 HG2 GLN A 7 5.118 -12.541 2.946 1.00 74.51 H new ATOM 0 HG3 GLN A 7 4.717 -11.654 1.489 1.00 74.51 H new ATOM 0 HE21 GLN A 7 6.318 -11.001 0.148 1.00 45.33 H new ATOM 0 HE22 GLN A 7 8.040 -11.075 0.537 1.00 45.33 H new ATOM 85 N PHE A 8 3.694 -8.931 5.674 1.00 52.24 N ATOM 86 CA PHE A 8 3.863 -8.288 6.971 1.00 3.43 C ATOM 87 C PHE A 8 2.860 -8.833 7.984 1.00 64.03 C ATOM 88 O PHE A 8 3.214 -9.139 9.123 1.00 12.22 O ATOM 89 CB PHE A 8 3.698 -6.772 6.839 1.00 64.34 C ATOM 90 CG PHE A 8 4.064 -6.018 8.085 1.00 20.10 C ATOM 91 CD1 PHE A 8 5.327 -6.143 8.641 1.00 43.14 C ATOM 92 CD2 PHE A 8 3.145 -5.184 8.701 1.00 51.02 C ATOM 93 CE1 PHE A 8 5.666 -5.451 9.788 1.00 51.42 C ATOM 94 CE2 PHE A 8 3.478 -4.489 9.848 1.00 0.21 C ATOM 95 CZ PHE A 8 4.741 -4.622 10.392 1.00 53.44 C ATOM 0 H PHE A 8 3.507 -8.287 4.905 1.00 52.24 H new ATOM 0 HA PHE A 8 4.869 -8.507 7.328 1.00 3.43 H new ATOM 0 HB2 PHE A 8 4.317 -6.418 6.015 1.00 64.34 H new ATOM 0 HB3 PHE A 8 2.663 -6.549 6.580 1.00 64.34 H new ATOM 0 HD1 PHE A 8 6.055 -6.789 8.172 1.00 43.14 H new ATOM 0 HD2 PHE A 8 2.156 -5.076 8.280 1.00 51.02 H new ATOM 0 HE1 PHE A 8 6.654 -5.558 10.212 1.00 51.42 H new ATOM 0 HE2 PHE A 8 2.752 -3.843 10.319 1.00 0.21 H new ATOM 0 HZ PHE A 8 5.004 -4.079 11.288 1.00 53.44 H new ATOM 105 N THR A 9 1.606 -8.952 7.560 1.00 72.00 N ATOM 106 CA THR A 9 0.551 -9.458 8.428 1.00 34.33 C ATOM 107 C THR A 9 0.738 -10.944 8.712 1.00 33.32 C ATOM 108 O THR A 9 0.707 -11.376 9.865 1.00 35.11 O ATOM 109 CB THR A 9 -0.842 -9.237 7.808 1.00 61.11 C ATOM 110 OG1 THR A 9 -1.042 -7.845 7.536 1.00 22.53 O ATOM 111 CG2 THR A 9 -1.935 -9.739 8.739 1.00 71.41 C ATOM 0 H THR A 9 1.296 -8.705 6.620 1.00 72.00 H new ATOM 0 HA THR A 9 0.617 -8.901 9.363 1.00 34.33 H new ATOM 0 HB THR A 9 -0.894 -9.800 6.876 1.00 61.11 H new ATOM 0 HG1 THR A 9 -0.607 -7.611 6.689 1.00 22.53 H new ATOM 0 HG21 THR A 9 -2.909 -9.572 8.280 1.00 71.41 H new ATOM 0 HG22 THR A 9 -1.797 -10.805 8.920 1.00 71.41 H new ATOM 0 HG23 THR A 9 -1.883 -9.200 9.685 1.00 71.41 H new ATOM 119 N THR A 10 0.933 -11.724 7.653 1.00 22.45 N ATOM 120 CA THR A 10 1.125 -13.163 7.789 1.00 41.31 C ATOM 121 C THR A 10 2.302 -13.476 8.706 1.00 72.52 C ATOM 122 O THR A 10 2.231 -14.382 9.537 1.00 53.10 O ATOM 123 CB THR A 10 1.363 -13.829 6.421 1.00 61.03 C ATOM 124 OG1 THR A 10 0.194 -13.702 5.604 1.00 52.11 O ATOM 125 CG2 THR A 10 1.713 -15.300 6.589 1.00 50.13 C ATOM 0 H THR A 10 0.962 -11.383 6.692 1.00 22.45 H new ATOM 0 HA THR A 10 0.211 -13.565 8.226 1.00 41.31 H new ATOM 0 HB THR A 10 2.200 -13.325 5.937 1.00 61.03 H new ATOM 0 HG1 THR A 10 0.064 -12.761 5.363 1.00 52.11 H new ATOM 0 HG21 THR A 10 1.877 -15.749 5.609 1.00 50.13 H new ATOM 0 HG22 THR A 10 2.620 -15.392 7.187 1.00 50.13 H new ATOM 0 HG23 THR A 10 0.894 -15.814 7.091 1.00 50.13 H new ATOM 133 N LYS A 11 3.385 -12.722 8.550 1.00 34.21 N ATOM 134 CA LYS A 11 4.578 -12.918 9.365 1.00 14.23 C ATOM 135 C LYS A 11 4.382 -12.339 10.763 1.00 23.31 C ATOM 136 O LYS A 11 4.973 -12.818 11.732 1.00 31.03 O ATOM 137 CB LYS A 11 5.790 -12.266 8.697 1.00 52.44 C ATOM 138 CG LYS A 11 6.292 -13.021 7.479 1.00 63.15 C ATOM 139 CD LYS A 11 7.769 -12.761 7.231 1.00 54.33 C ATOM 140 CE LYS A 11 7.987 -11.450 6.490 1.00 32.12 C ATOM 141 NZ LYS A 11 9.399 -11.294 6.044 1.00 53.34 N ATOM 0 H LYS A 11 3.461 -11.969 7.866 1.00 34.21 H new ATOM 0 HA LYS A 11 4.754 -13.990 9.456 1.00 14.23 H new ATOM 0 HB2 LYS A 11 5.529 -11.250 8.402 1.00 52.44 H new ATOM 0 HB3 LYS A 11 6.598 -12.189 9.425 1.00 52.44 H new ATOM 0 HG2 LYS A 11 6.128 -14.089 7.619 1.00 63.15 H new ATOM 0 HG3 LYS A 11 5.717 -12.723 6.602 1.00 63.15 H new ATOM 0 HD2 LYS A 11 8.300 -12.735 8.183 1.00 54.33 H new ATOM 0 HD3 LYS A 11 8.192 -13.582 6.652 1.00 54.33 H new ATOM 0 HE2 LYS A 11 7.326 -11.408 5.624 1.00 32.12 H new ATOM 0 HE3 LYS A 11 7.717 -10.617 7.139 1.00 32.12 H new ATOM 0 HZ1 LYS A 11 9.507 -10.389 5.543 1.00 53.34 H new ATOM 0 HZ2 LYS A 11 10.028 -11.309 6.872 1.00 53.34 H new ATOM 0 HZ3 LYS A 11 9.649 -12.075 5.405 1.00 53.34 H new ATOM 155 N LEU A 12 3.550 -11.309 10.861 1.00 53.23 N ATOM 156 CA LEU A 12 3.275 -10.666 12.141 1.00 1.21 C ATOM 157 C LEU A 12 2.587 -11.633 13.100 1.00 41.45 C ATOM 158 O LEU A 12 3.012 -11.796 14.242 1.00 31.44 O ATOM 159 CB LEU A 12 2.402 -9.427 11.935 1.00 43.40 C ATOM 160 CG LEU A 12 3.141 -8.089 11.868 1.00 73.35 C ATOM 161 CD1 LEU A 12 2.208 -6.988 11.388 1.00 13.03 C ATOM 162 CD2 LEU A 12 3.731 -7.737 13.225 1.00 24.20 C ATOM 0 H LEU A 12 3.054 -10.901 10.069 1.00 53.23 H new ATOM 0 HA LEU A 12 4.226 -10.364 12.579 1.00 1.21 H new ATOM 0 HB2 LEU A 12 1.838 -9.554 11.011 1.00 43.40 H new ATOM 0 HB3 LEU A 12 1.677 -9.379 12.747 1.00 43.40 H new ATOM 0 HG LEU A 12 3.958 -8.182 11.153 1.00 73.35 H new ATOM 0 HD11 LEU A 12 2.751 -6.044 11.347 1.00 13.03 H new ATOM 0 HD12 LEU A 12 1.834 -7.235 10.395 1.00 13.03 H new ATOM 0 HD13 LEU A 12 1.370 -6.895 12.078 1.00 13.03 H new ATOM 0 HD21 LEU A 12 4.253 -6.782 13.158 1.00 24.20 H new ATOM 0 HD22 LEU A 12 2.931 -7.662 13.961 1.00 24.20 H new ATOM 0 HD23 LEU A 12 4.433 -8.514 13.529 1.00 24.20 H new ATOM 174 N ASN A 13 1.523 -12.272 12.624 1.00 23.14 N ATOM 175 CA ASN A 13 0.777 -13.225 13.439 1.00 42.42 C ATOM 176 C ASN A 13 1.625 -14.453 13.753 1.00 24.21 C ATOM 177 O ASN A 13 1.295 -15.240 14.641 1.00 13.21 O ATOM 178 CB ASN A 13 -0.506 -13.647 12.720 1.00 43.00 C ATOM 179 CG ASN A 13 -0.227 -14.387 11.426 1.00 4.10 C ATOM 180 OD1 ASN A 13 0.641 -15.258 11.371 1.00 23.41 O ATOM 181 ND2 ASN A 13 -0.963 -14.042 10.376 1.00 12.45 N ATOM 0 H ASN A 13 1.158 -12.148 11.680 1.00 23.14 H new ATOM 0 HA ASN A 13 0.516 -12.737 14.378 1.00 42.42 H new ATOM 0 HB2 ASN A 13 -1.096 -14.283 13.379 1.00 43.00 H new ATOM 0 HB3 ASN A 13 -1.108 -12.763 12.508 1.00 43.00 H new ATOM 0 HD21 ASN A 13 -0.820 -14.505 9.478 1.00 12.45 H new ATOM 0 HD22 ASN A 13 -1.672 -13.314 10.467 1.00 12.45 H new ATOM 188 N THR A 14 2.722 -14.612 13.019 1.00 63.02 N ATOM 189 CA THR A 14 3.618 -15.744 13.218 1.00 21.21 C ATOM 190 C THR A 14 4.974 -15.287 13.744 1.00 52.21 C ATOM 191 O THR A 14 5.973 -15.995 13.612 1.00 3.43 O ATOM 192 CB THR A 14 3.826 -16.533 11.911 1.00 4.42 C ATOM 193 OG1 THR A 14 4.092 -15.630 10.832 1.00 61.02 O ATOM 194 CG2 THR A 14 2.602 -17.374 11.586 1.00 54.13 C ATOM 0 H THR A 14 3.011 -13.970 12.281 1.00 63.02 H new ATOM 0 HA THR A 14 3.146 -16.394 13.955 1.00 21.21 H new ATOM 0 HB THR A 14 4.678 -17.199 12.046 1.00 4.42 H new ATOM 0 HG1 THR A 14 3.257 -15.201 10.551 1.00 61.02 H new ATOM 0 HG21 THR A 14 2.773 -17.922 10.659 1.00 54.13 H new ATOM 0 HG22 THR A 14 2.420 -18.080 12.396 1.00 54.13 H new ATOM 0 HG23 THR A 14 1.735 -16.724 11.469 1.00 54.13 H new ATOM 202 N LEU A 15 5.002 -14.100 14.340 1.00 31.24 N ATOM 203 CA LEU A 15 6.236 -13.548 14.888 1.00 64.13 C ATOM 204 C LEU A 15 6.668 -14.311 16.136 1.00 70.32 C ATOM 205 O LEU A 15 5.835 -14.716 16.946 1.00 11.52 O ATOM 206 CB LEU A 15 6.052 -12.066 15.220 1.00 21.42 C ATOM 207 CG LEU A 15 6.527 -11.076 14.157 1.00 40.33 C ATOM 208 CD1 LEU A 15 6.252 -9.646 14.598 1.00 24.50 C ATOM 209 CD2 LEU A 15 8.008 -11.272 13.869 1.00 44.41 C ATOM 0 H LEU A 15 4.184 -13.501 14.456 1.00 31.24 H new ATOM 0 HA LEU A 15 7.017 -13.651 14.134 1.00 64.13 H new ATOM 0 HB2 LEU A 15 4.994 -11.885 15.409 1.00 21.42 H new ATOM 0 HB3 LEU A 15 6.582 -11.854 16.148 1.00 21.42 H new ATOM 0 HG LEU A 15 5.971 -11.264 13.239 1.00 40.33 H new ATOM 0 HD11 LEU A 15 6.597 -8.955 13.829 1.00 24.50 H new ATOM 0 HD12 LEU A 15 5.181 -9.512 14.752 1.00 24.50 H new ATOM 0 HD13 LEU A 15 6.781 -9.445 15.530 1.00 24.50 H new ATOM 0 HD21 LEU A 15 8.329 -10.559 13.110 1.00 44.41 H new ATOM 0 HD22 LEU A 15 8.581 -11.112 14.782 1.00 44.41 H new ATOM 0 HD23 LEU A 15 8.177 -12.286 13.508 1.00 44.41 H new ATOM 221 N GLU A 16 7.975 -14.502 16.284 1.00 22.40 N ATOM 222 CA GLU A 16 8.517 -15.216 17.435 1.00 54.23 C ATOM 223 C GLU A 16 9.648 -14.423 18.083 1.00 32.24 C ATOM 224 O GLU A 16 10.153 -13.458 17.509 1.00 34.32 O ATOM 225 CB GLU A 16 9.023 -16.597 17.014 1.00 33.34 C ATOM 226 CG GLU A 16 7.981 -17.695 17.151 1.00 11.22 C ATOM 227 CD GLU A 16 8.558 -19.079 16.925 1.00 42.40 C ATOM 228 OE1 GLU A 16 9.469 -19.472 17.684 1.00 71.13 O ATOM 229 OE2 GLU A 16 8.100 -19.768 15.990 1.00 50.31 O ATOM 0 H GLU A 16 8.678 -14.173 15.622 1.00 22.40 H new ATOM 0 HA GLU A 16 7.717 -15.338 18.165 1.00 54.23 H new ATOM 0 HB2 GLU A 16 9.357 -16.552 15.977 1.00 33.34 H new ATOM 0 HB3 GLU A 16 9.893 -16.856 17.618 1.00 33.34 H new ATOM 0 HG2 GLU A 16 7.538 -17.648 18.146 1.00 11.22 H new ATOM 0 HG3 GLU A 16 7.177 -17.519 16.436 1.00 11.22 H new ATOM 236 N ASP A 17 10.040 -14.837 19.283 1.00 20.41 N ATOM 237 CA ASP A 17 11.112 -14.167 20.011 1.00 74.43 C ATOM 238 C ASP A 17 12.459 -14.821 19.718 1.00 35.32 C ATOM 239 O ASP A 17 12.906 -15.700 20.455 1.00 5.54 O ATOM 240 CB ASP A 17 10.832 -14.197 21.514 1.00 1.21 C ATOM 241 CG ASP A 17 10.431 -15.575 22.002 1.00 65.23 C ATOM 242 OD1 ASP A 17 9.285 -15.989 21.732 1.00 33.22 O ATOM 243 OD2 ASP A 17 11.264 -16.240 22.654 1.00 43.34 O ATOM 0 H ASP A 17 9.632 -15.633 19.772 1.00 20.41 H new ATOM 0 HA ASP A 17 11.152 -13.130 19.678 1.00 74.43 H new ATOM 0 HB2 ASP A 17 11.721 -13.869 22.053 1.00 1.21 H new ATOM 0 HB3 ASP A 17 10.038 -13.487 21.747 1.00 1.21 H new ATOM 248 N SER A 18 13.099 -14.388 18.637 1.00 12.21 N ATOM 249 CA SER A 18 14.392 -14.934 18.244 1.00 23.42 C ATOM 250 C SER A 18 15.263 -13.860 17.600 1.00 61.01 C ATOM 251 O SER A 18 14.811 -13.123 16.724 1.00 72.51 O ATOM 252 CB SER A 18 14.203 -16.103 17.275 1.00 51.44 C ATOM 253 OG SER A 18 15.221 -16.117 16.289 1.00 74.23 O ATOM 0 H SER A 18 12.743 -13.660 18.017 1.00 12.21 H new ATOM 0 HA SER A 18 14.894 -15.294 19.142 1.00 23.42 H new ATOM 0 HB2 SER A 18 14.214 -17.043 17.827 1.00 51.44 H new ATOM 0 HB3 SER A 18 13.228 -16.027 16.794 1.00 51.44 H new ATOM 0 HG SER A 18 14.842 -16.401 15.431 1.00 74.23 H new ATOM 259 N GLN A 19 16.514 -13.778 18.041 1.00 1.01 N ATOM 260 CA GLN A 19 17.448 -12.793 17.508 1.00 24.54 C ATOM 261 C GLN A 19 17.491 -12.852 15.985 1.00 53.30 C ATOM 262 O GLN A 19 17.591 -11.822 15.318 1.00 34.32 O ATOM 263 CB GLN A 19 18.849 -13.027 18.079 1.00 75.25 C ATOM 264 CG GLN A 19 19.049 -12.433 19.463 1.00 15.13 C ATOM 265 CD GLN A 19 19.554 -11.004 19.418 1.00 74.31 C ATOM 266 OE1 GLN A 19 20.759 -10.758 19.464 1.00 62.14 O ATOM 267 NE2 GLN A 19 18.632 -10.053 19.327 1.00 12.22 N ATOM 0 H GLN A 19 16.904 -14.381 18.765 1.00 1.01 H new ATOM 0 HA GLN A 19 17.102 -11.803 17.805 1.00 24.54 H new ATOM 0 HB2 GLN A 19 19.040 -14.099 18.122 1.00 75.25 H new ATOM 0 HB3 GLN A 19 19.586 -12.599 17.399 1.00 75.25 H new ATOM 0 HG2 GLN A 19 18.105 -12.464 20.007 1.00 15.13 H new ATOM 0 HG3 GLN A 19 19.757 -13.047 20.019 1.00 15.13 H new ATOM 0 HE21 GLN A 19 17.644 -10.303 19.292 1.00 12.22 H new ATOM 0 HE22 GLN A 19 18.912 -9.073 19.292 1.00 12.22 H new ATOM 276 N GLU A 20 17.414 -14.062 15.441 1.00 23.55 N ATOM 277 CA GLU A 20 17.445 -14.254 13.996 1.00 2.32 C ATOM 278 C GLU A 20 16.105 -13.881 13.369 1.00 33.03 C ATOM 279 O GLU A 20 16.049 -13.393 12.241 1.00 65.14 O ATOM 280 CB GLU A 20 17.792 -15.705 13.659 1.00 65.22 C ATOM 281 CG GLU A 20 18.187 -15.915 12.207 1.00 44.34 C ATOM 282 CD GLU A 20 19.444 -15.155 11.828 1.00 21.24 C ATOM 283 OE1 GLU A 20 19.338 -13.953 11.509 1.00 10.33 O ATOM 284 OE2 GLU A 20 20.534 -15.764 11.852 1.00 63.20 O ATOM 0 H GLU A 20 17.330 -14.924 15.979 1.00 23.55 H new ATOM 0 HA GLU A 20 18.214 -13.600 13.585 1.00 2.32 H new ATOM 0 HB2 GLU A 20 18.610 -16.032 14.300 1.00 65.22 H new ATOM 0 HB3 GLU A 20 16.934 -16.338 13.889 1.00 65.22 H new ATOM 0 HG2 GLU A 20 18.342 -16.979 12.027 1.00 44.34 H new ATOM 0 HG3 GLU A 20 17.367 -15.599 11.562 1.00 44.34 H new ATOM 291 N SER A 21 15.026 -14.115 14.110 1.00 22.31 N ATOM 292 CA SER A 21 13.685 -13.809 13.626 1.00 2.11 C ATOM 293 C SER A 21 13.493 -12.303 13.474 1.00 5.11 C ATOM 294 O SER A 21 13.047 -11.825 12.431 1.00 74.42 O ATOM 295 CB SER A 21 12.633 -14.374 14.582 1.00 24.44 C ATOM 296 OG SER A 21 12.630 -15.791 14.556 1.00 34.22 O ATOM 0 H SER A 21 15.055 -14.515 15.048 1.00 22.31 H new ATOM 0 HA SER A 21 13.564 -14.274 12.648 1.00 2.11 H new ATOM 0 HB2 SER A 21 12.833 -14.026 15.595 1.00 24.44 H new ATOM 0 HB3 SER A 21 11.647 -14.000 14.306 1.00 24.44 H new ATOM 0 HG SER A 21 11.908 -16.127 15.128 1.00 34.22 H new ATOM 302 N ILE A 22 13.835 -11.561 14.522 1.00 15.22 N ATOM 303 CA ILE A 22 13.701 -10.109 14.506 1.00 63.44 C ATOM 304 C ILE A 22 14.428 -9.504 13.309 1.00 21.35 C ATOM 305 O ILE A 22 13.933 -8.572 12.676 1.00 5.33 O ATOM 306 CB ILE A 22 14.251 -9.479 15.799 1.00 50.12 C ATOM 307 CG1 ILE A 22 13.553 -10.079 17.021 1.00 11.52 C ATOM 308 CG2 ILE A 22 14.073 -7.968 15.769 1.00 62.25 C ATOM 309 CD1 ILE A 22 12.075 -9.765 17.087 1.00 14.11 C ATOM 0 H ILE A 22 14.207 -11.941 15.393 1.00 15.22 H new ATOM 0 HA ILE A 22 12.636 -9.890 14.430 1.00 63.44 H new ATOM 0 HB ILE A 22 15.316 -9.698 15.868 1.00 50.12 H new ATOM 0 HG12 ILE A 22 13.686 -11.161 17.011 1.00 11.52 H new ATOM 0 HG13 ILE A 22 14.036 -9.707 17.924 1.00 11.52 H new ATOM 0 HG21 ILE A 22 14.466 -7.537 16.690 1.00 62.25 H new ATOM 0 HG22 ILE A 22 14.611 -7.555 14.916 1.00 62.25 H new ATOM 0 HG23 ILE A 22 13.013 -7.728 15.680 1.00 62.25 H new ATOM 0 HD11 ILE A 22 11.645 -10.222 17.979 1.00 14.11 H new ATOM 0 HD12 ILE A 22 11.934 -8.685 17.129 1.00 14.11 H new ATOM 0 HD13 ILE A 22 11.579 -10.162 16.201 1.00 14.11 H new ATOM 321 N SER A 23 15.605 -10.043 13.004 1.00 15.45 N ATOM 322 CA SER A 23 16.401 -9.555 11.885 1.00 43.41 C ATOM 323 C SER A 23 15.811 -10.017 10.556 1.00 41.50 C ATOM 324 O SER A 23 15.804 -9.272 9.575 1.00 35.44 O ATOM 325 CB SER A 23 17.847 -10.040 12.010 1.00 33.12 C ATOM 326 OG SER A 23 18.674 -9.437 11.030 1.00 10.15 O ATOM 0 H SER A 23 16.027 -10.817 13.516 1.00 15.45 H new ATOM 0 HA SER A 23 16.387 -8.465 11.910 1.00 43.41 H new ATOM 0 HB2 SER A 23 18.227 -9.807 13.005 1.00 33.12 H new ATOM 0 HB3 SER A 23 17.881 -11.124 11.902 1.00 33.12 H new ATOM 0 HG SER A 23 19.593 -9.762 11.132 1.00 10.15 H new ATOM 332 N SER A 24 15.317 -11.250 10.532 1.00 22.30 N ATOM 333 CA SER A 24 14.728 -11.814 9.323 1.00 31.53 C ATOM 334 C SER A 24 13.635 -10.902 8.775 1.00 70.21 C ATOM 335 O SER A 24 13.542 -10.683 7.568 1.00 42.14 O ATOM 336 CB SER A 24 14.153 -13.203 9.611 1.00 54.40 C ATOM 337 OG SER A 24 15.185 -14.162 9.758 1.00 20.03 O ATOM 0 H SER A 24 15.313 -11.878 11.336 1.00 22.30 H new ATOM 0 HA SER A 24 15.513 -11.902 8.572 1.00 31.53 H new ATOM 0 HB2 SER A 24 13.551 -13.170 10.519 1.00 54.40 H new ATOM 0 HB3 SER A 24 13.489 -13.500 8.799 1.00 54.40 H new ATOM 0 HG SER A 24 15.669 -13.996 10.594 1.00 20.03 H new ATOM 343 N ALA A 25 12.809 -10.373 9.672 1.00 62.30 N ATOM 344 CA ALA A 25 11.724 -9.483 9.280 1.00 74.24 C ATOM 345 C ALA A 25 12.222 -8.052 9.107 1.00 61.42 C ATOM 346 O ALA A 25 11.810 -7.349 8.185 1.00 41.43 O ATOM 347 CB ALA A 25 10.603 -9.533 10.307 1.00 33.12 C ATOM 0 H ALA A 25 12.871 -10.546 10.675 1.00 62.30 H new ATOM 0 HA ALA A 25 11.338 -9.824 8.319 1.00 74.24 H new ATOM 0 HB1 ALA A 25 9.799 -8.863 10.001 1.00 33.12 H new ATOM 0 HB2 ALA A 25 10.220 -10.551 10.378 1.00 33.12 H new ATOM 0 HB3 ALA A 25 10.986 -9.221 11.279 1.00 33.12 H new ATOM 353 N SER A 26 13.110 -7.628 10.000 1.00 63.11 N ATOM 354 CA SER A 26 13.662 -6.279 9.948 1.00 35.15 C ATOM 355 C SER A 26 14.290 -6.001 8.587 1.00 42.35 C ATOM 356 O SER A 26 14.076 -4.943 7.995 1.00 51.52 O ATOM 357 CB SER A 26 14.703 -6.089 11.052 1.00 5.34 C ATOM 358 OG SER A 26 15.096 -4.731 11.154 1.00 4.00 O ATOM 0 H SER A 26 13.463 -8.199 10.768 1.00 63.11 H new ATOM 0 HA SER A 26 12.846 -5.573 10.102 1.00 35.15 H new ATOM 0 HB2 SER A 26 14.293 -6.425 12.005 1.00 5.34 H new ATOM 0 HB3 SER A 26 15.575 -6.709 10.844 1.00 5.34 H new ATOM 0 HG SER A 26 16.022 -4.681 11.470 1.00 4.00 H new ATOM 364 N LYS A 27 15.068 -6.959 8.094 1.00 2.22 N ATOM 365 CA LYS A 27 15.729 -6.820 6.802 1.00 74.23 C ATOM 366 C LYS A 27 14.713 -6.541 5.699 1.00 54.02 C ATOM 367 O LYS A 27 15.013 -5.847 4.727 1.00 34.31 O ATOM 368 CB LYS A 27 16.520 -8.088 6.472 1.00 41.33 C ATOM 369 CG LYS A 27 15.675 -9.190 5.858 1.00 73.21 C ATOM 370 CD LYS A 27 16.290 -10.560 6.091 1.00 14.12 C ATOM 371 CE LYS A 27 16.449 -11.329 4.788 1.00 11.44 C ATOM 372 NZ LYS A 27 15.357 -12.322 4.594 1.00 60.43 N ATOM 0 H LYS A 27 15.256 -7.841 8.571 1.00 2.22 H new ATOM 0 HA LYS A 27 16.416 -5.976 6.862 1.00 74.23 H new ATOM 0 HB2 LYS A 27 17.326 -7.834 5.784 1.00 41.33 H new ATOM 0 HB3 LYS A 27 16.985 -8.463 7.384 1.00 41.33 H new ATOM 0 HG2 LYS A 27 14.673 -9.163 6.286 1.00 73.21 H new ATOM 0 HG3 LYS A 27 15.569 -9.015 4.787 1.00 73.21 H new ATOM 0 HD2 LYS A 27 17.263 -10.447 6.569 1.00 14.12 H new ATOM 0 HD3 LYS A 27 15.663 -11.130 6.777 1.00 14.12 H new ATOM 0 HE2 LYS A 27 16.457 -10.630 3.952 1.00 11.44 H new ATOM 0 HE3 LYS A 27 17.411 -11.841 4.784 1.00 11.44 H new ATOM 0 HZ1 LYS A 27 15.501 -12.825 3.695 1.00 60.43 H new ATOM 0 HZ2 LYS A 27 15.365 -13.005 5.378 1.00 60.43 H new ATOM 0 HZ3 LYS A 27 14.441 -11.831 4.573 1.00 60.43 H new ATOM 386 N TRP A 28 13.511 -7.084 5.857 1.00 40.13 N ATOM 387 CA TRP A 28 12.450 -6.891 4.874 1.00 24.41 C ATOM 388 C TRP A 28 11.850 -5.495 4.988 1.00 15.23 C ATOM 389 O TRP A 28 11.762 -4.763 4.001 1.00 23.12 O ATOM 390 CB TRP A 28 11.358 -7.947 5.059 1.00 45.53 C ATOM 391 CG TRP A 28 10.332 -7.936 3.967 1.00 61.45 C ATOM 392 CD1 TRP A 28 10.562 -8.051 2.625 1.00 14.31 C ATOM 393 CD2 TRP A 28 8.915 -7.803 4.123 1.00 3.12 C ATOM 394 NE1 TRP A 28 9.373 -7.996 1.938 1.00 34.34 N ATOM 395 CE2 TRP A 28 8.348 -7.845 2.835 1.00 72.54 C ATOM 396 CE3 TRP A 28 8.071 -7.654 5.226 1.00 14.34 C ATOM 397 CZ2 TRP A 28 6.976 -7.743 2.622 1.00 14.22 C ATOM 398 CZ3 TRP A 28 6.709 -7.552 5.014 1.00 40.41 C ATOM 399 CH2 TRP A 28 6.172 -7.597 3.720 1.00 22.34 C ATOM 0 H TRP A 28 13.247 -7.661 6.656 1.00 40.13 H new ATOM 0 HA TRP A 28 12.885 -6.998 3.880 1.00 24.41 H new ATOM 0 HB2 TRP A 28 11.820 -8.933 5.104 1.00 45.53 H new ATOM 0 HB3 TRP A 28 10.862 -7.783 6.016 1.00 45.53 H new ATOM 0 HD1 TRP A 28 11.535 -8.168 2.171 1.00 14.31 H new ATOM 0 HE1 TRP A 28 9.270 -8.058 0.925 1.00 34.34 H new ATOM 0 HE3 TRP A 28 8.476 -7.619 6.227 1.00 14.34 H new ATOM 0 HZ2 TRP A 28 6.561 -7.778 1.626 1.00 14.22 H new ATOM 0 HZ3 TRP A 28 6.047 -7.436 5.860 1.00 40.41 H new ATOM 0 HH2 TRP A 28 5.103 -7.515 3.587 1.00 22.34 H new ATOM 410 N LEU A 29 11.437 -5.130 6.197 1.00 34.21 N ATOM 411 CA LEU A 29 10.844 -3.820 6.440 1.00 53.40 C ATOM 412 C LEU A 29 11.823 -2.705 6.086 1.00 11.11 C ATOM 413 O LEU A 29 11.420 -1.621 5.661 1.00 34.40 O ATOM 414 CB LEU A 29 10.418 -3.694 7.904 1.00 74.12 C ATOM 415 CG LEU A 29 9.125 -4.413 8.291 1.00 72.25 C ATOM 416 CD1 LEU A 29 9.194 -4.898 9.730 1.00 20.32 C ATOM 417 CD2 LEU A 29 7.925 -3.498 8.091 1.00 24.13 C ATOM 0 H LEU A 29 11.502 -5.723 7.024 1.00 34.21 H new ATOM 0 HA LEU A 29 9.965 -3.723 5.803 1.00 53.40 H new ATOM 0 HB2 LEU A 29 11.224 -4.076 8.530 1.00 74.12 H new ATOM 0 HB3 LEU A 29 10.306 -2.636 8.139 1.00 74.12 H new ATOM 0 HG LEU A 29 9.007 -5.281 7.642 1.00 72.25 H new ATOM 0 HD11 LEU A 29 8.265 -5.407 9.987 1.00 20.32 H new ATOM 0 HD12 LEU A 29 10.029 -5.589 9.841 1.00 20.32 H new ATOM 0 HD13 LEU A 29 9.337 -4.046 10.395 1.00 20.32 H new ATOM 0 HD21 LEU A 29 7.014 -4.026 8.371 1.00 24.13 H new ATOM 0 HD22 LEU A 29 8.036 -2.611 8.714 1.00 24.13 H new ATOM 0 HD23 LEU A 29 7.865 -3.201 7.044 1.00 24.13 H new ATOM 429 N LEU A 30 13.111 -2.978 6.262 1.00 31.21 N ATOM 430 CA LEU A 30 14.149 -1.999 5.959 1.00 21.12 C ATOM 431 C LEU A 30 14.063 -1.547 4.505 1.00 3.20 C ATOM 432 O LEU A 30 14.434 -0.421 4.171 1.00 44.31 O ATOM 433 CB LEU A 30 15.532 -2.589 6.241 1.00 70.21 C ATOM 434 CG LEU A 30 16.477 -1.719 7.070 1.00 12.14 C ATOM 435 CD1 LEU A 30 16.589 -0.328 6.467 1.00 44.35 C ATOM 436 CD2 LEU A 30 16.000 -1.639 8.513 1.00 34.02 C ATOM 0 H LEU A 30 13.462 -3.869 6.613 1.00 31.21 H new ATOM 0 HA LEU A 30 13.994 -1.131 6.600 1.00 21.12 H new ATOM 0 HB2 LEU A 30 15.401 -3.541 6.756 1.00 70.21 H new ATOM 0 HB3 LEU A 30 16.013 -2.807 5.288 1.00 70.21 H new ATOM 0 HG LEU A 30 17.466 -2.178 7.059 1.00 12.14 H new ATOM 0 HD11 LEU A 30 17.266 0.277 7.071 1.00 44.35 H new ATOM 0 HD12 LEU A 30 16.977 -0.402 5.451 1.00 44.35 H new ATOM 0 HD13 LEU A 30 15.605 0.140 6.446 1.00 44.35 H new ATOM 0 HD21 LEU A 30 16.685 -1.016 9.088 1.00 34.02 H new ATOM 0 HD22 LEU A 30 15.001 -1.204 8.542 1.00 34.02 H new ATOM 0 HD23 LEU A 30 15.972 -2.640 8.943 1.00 34.02 H new ATOM 448 N LEU A 31 13.570 -2.430 3.644 1.00 22.32 N ATOM 449 CA LEU A 31 13.433 -2.121 2.225 1.00 20.41 C ATOM 450 C LEU A 31 12.030 -1.612 1.912 1.00 51.40 C ATOM 451 O LEU A 31 11.623 -1.562 0.752 1.00 54.22 O ATOM 452 CB LEU A 31 13.738 -3.361 1.382 1.00 52.45 C ATOM 453 CG LEU A 31 15.058 -4.070 1.684 1.00 61.13 C ATOM 454 CD1 LEU A 31 15.224 -5.291 0.792 1.00 3.21 C ATOM 455 CD2 LEU A 31 16.229 -3.115 1.507 1.00 45.10 C ATOM 0 H LEU A 31 13.258 -3.366 3.904 1.00 22.32 H new ATOM 0 HA LEU A 31 14.148 -1.336 1.978 1.00 20.41 H new ATOM 0 HB2 LEU A 31 12.926 -4.076 1.516 1.00 52.45 H new ATOM 0 HB3 LEU A 31 13.737 -3.071 0.331 1.00 52.45 H new ATOM 0 HG LEU A 31 15.040 -4.403 2.722 1.00 61.13 H new ATOM 0 HD11 LEU A 31 16.169 -5.783 1.021 1.00 3.21 H new ATOM 0 HD12 LEU A 31 14.402 -5.985 0.968 1.00 3.21 H new ATOM 0 HD13 LEU A 31 15.220 -4.981 -0.253 1.00 3.21 H new ATOM 0 HD21 LEU A 31 17.160 -3.637 1.726 1.00 45.10 H new ATOM 0 HD22 LEU A 31 16.250 -2.751 0.480 1.00 45.10 H new ATOM 0 HD23 LEU A 31 16.117 -2.272 2.188 1.00 45.10 H new ATOM 467 N GLN A 32 11.297 -1.232 2.954 1.00 25.31 N ATOM 468 CA GLN A 32 9.941 -0.725 2.789 1.00 14.43 C ATOM 469 C GLN A 32 9.834 0.714 3.283 1.00 10.33 C ATOM 470 O GLN A 32 8.784 1.139 3.766 1.00 51.42 O ATOM 471 CB GLN A 32 8.947 -1.610 3.543 1.00 30.13 C ATOM 472 CG GLN A 32 8.976 -3.066 3.107 1.00 44.14 C ATOM 473 CD GLN A 32 8.785 -3.231 1.612 1.00 51.22 C ATOM 474 OE1 GLN A 32 8.252 -2.346 0.941 1.00 32.32 O ATOM 475 NE2 GLN A 32 9.220 -4.367 1.081 1.00 61.43 N ATOM 0 H GLN A 32 11.620 -1.266 3.921 1.00 25.31 H new ATOM 0 HA GLN A 32 9.700 -0.744 1.726 1.00 14.43 H new ATOM 0 HB2 GLN A 32 9.161 -1.555 4.610 1.00 30.13 H new ATOM 0 HB3 GLN A 32 7.941 -1.216 3.399 1.00 30.13 H new ATOM 0 HG2 GLN A 32 9.928 -3.510 3.399 1.00 44.14 H new ATOM 0 HG3 GLN A 32 8.194 -3.614 3.632 1.00 44.14 H new ATOM 0 HE21 GLN A 32 9.656 -5.073 1.674 1.00 61.43 H new ATOM 0 HE22 GLN A 32 9.119 -4.534 0.080 1.00 61.43 H new ATOM 484 N TYR A 33 10.927 1.459 3.160 1.00 12.22 N ATOM 485 CA TYR A 33 10.957 2.850 3.597 1.00 41.01 C ATOM 486 C TYR A 33 9.864 3.661 2.907 1.00 4.45 C ATOM 487 O TYR A 33 9.404 4.676 3.432 1.00 65.20 O ATOM 488 CB TYR A 33 12.326 3.468 3.307 1.00 21.22 C ATOM 489 CG TYR A 33 12.532 3.830 1.854 1.00 74.03 C ATOM 490 CD1 TYR A 33 12.622 2.845 0.878 1.00 50.32 C ATOM 491 CD2 TYR A 33 12.634 5.158 1.456 1.00 25.53 C ATOM 492 CE1 TYR A 33 12.811 3.172 -0.451 1.00 74.21 C ATOM 493 CE2 TYR A 33 12.822 5.493 0.129 1.00 14.43 C ATOM 494 CZ TYR A 33 12.910 4.497 -0.820 1.00 55.14 C ATOM 495 OH TYR A 33 13.096 4.827 -2.143 1.00 70.44 O ATOM 0 H TYR A 33 11.804 1.123 2.761 1.00 12.22 H new ATOM 0 HA TYR A 33 10.777 2.871 4.672 1.00 41.01 H new ATOM 0 HB2 TYR A 33 12.447 4.364 3.916 1.00 21.22 H new ATOM 0 HB3 TYR A 33 13.103 2.767 3.612 1.00 21.22 H new ATOM 0 HD1 TYR A 33 12.543 1.806 1.163 1.00 50.32 H new ATOM 0 HD2 TYR A 33 12.565 5.941 2.197 1.00 25.53 H new ATOM 0 HE1 TYR A 33 12.881 2.394 -1.197 1.00 74.21 H new ATOM 0 HE2 TYR A 33 12.900 6.530 -0.163 1.00 14.43 H new ATOM 0 HH TYR A 33 13.144 5.802 -2.233 1.00 70.44 H new ATOM 505 N ARG A 34 9.453 3.206 1.729 1.00 42.15 N ATOM 506 CA ARG A 34 8.415 3.889 0.966 1.00 60.33 C ATOM 507 C ARG A 34 7.046 3.685 1.607 1.00 32.45 C ATOM 508 O ARG A 34 6.161 4.533 1.490 1.00 64.00 O ATOM 509 CB ARG A 34 8.395 3.380 -0.477 1.00 12.40 C ATOM 510 CG ARG A 34 8.089 1.896 -0.596 1.00 2.24 C ATOM 511 CD ARG A 34 8.283 1.400 -2.020 1.00 20.43 C ATOM 512 NE ARG A 34 9.662 1.560 -2.472 1.00 63.33 N ATOM 513 CZ ARG A 34 10.063 1.303 -3.712 1.00 64.14 C ATOM 514 NH1 ARG A 34 9.195 0.876 -4.619 1.00 13.53 N ATOM 515 NH2 ARG A 34 11.336 1.473 -4.048 1.00 52.11 N ATOM 0 H ARG A 34 9.823 2.367 1.282 1.00 42.15 H new ATOM 0 HA ARG A 34 8.642 4.955 0.965 1.00 60.33 H new ATOM 0 HB2 ARG A 34 7.651 3.942 -1.041 1.00 12.40 H new ATOM 0 HB3 ARG A 34 9.362 3.581 -0.937 1.00 12.40 H new ATOM 0 HG2 ARG A 34 8.737 1.335 0.077 1.00 2.24 H new ATOM 0 HG3 ARG A 34 7.063 1.709 -0.281 1.00 2.24 H new ATOM 0 HD2 ARG A 34 8.002 0.349 -2.079 1.00 20.43 H new ATOM 0 HD3 ARG A 34 7.617 1.946 -2.688 1.00 20.43 H new ATOM 0 HE ARG A 34 10.355 1.887 -1.799 1.00 63.33 H new ATOM 0 HH11 ARG A 34 8.216 0.744 -4.365 1.00 13.53 H new ATOM 0 HH12 ARG A 34 9.506 0.680 -5.570 1.00 13.53 H new ATOM 0 HH21 ARG A 34 12.007 1.801 -3.354 1.00 52.11 H new ATOM 0 HH22 ARG A 34 11.643 1.275 -5.000 1.00 52.11 H new ATOM 529 N ASP A 35 6.878 2.554 2.285 1.00 5.31 N ATOM 530 CA ASP A 35 5.617 2.239 2.946 1.00 24.40 C ATOM 531 C ASP A 35 5.674 2.602 4.426 1.00 12.54 C ATOM 532 O ASP A 35 5.151 1.879 5.274 1.00 53.43 O ATOM 533 CB ASP A 35 5.291 0.753 2.785 1.00 12.13 C ATOM 534 CG ASP A 35 5.717 0.209 1.436 1.00 52.32 C ATOM 535 OD1 ASP A 35 6.916 -0.096 1.271 1.00 3.34 O ATOM 536 OD2 ASP A 35 4.851 0.090 0.544 1.00 72.43 O ATOM 0 H ASP A 35 7.599 1.841 2.391 1.00 5.31 H new ATOM 0 HA ASP A 35 4.831 2.829 2.476 1.00 24.40 H new ATOM 0 HB2 ASP A 35 5.787 0.188 3.574 1.00 12.13 H new ATOM 0 HB3 ASP A 35 4.219 0.604 2.911 1.00 12.13 H new ATOM 541 N ALA A 36 6.313 3.727 4.730 1.00 11.50 N ATOM 542 CA ALA A 36 6.437 4.188 6.108 1.00 71.35 C ATOM 543 C ALA A 36 5.077 4.229 6.797 1.00 24.10 C ATOM 544 O ALA A 36 4.841 3.552 7.798 1.00 3.21 O ATOM 545 CB ALA A 36 7.093 5.560 6.149 1.00 64.44 C ATOM 0 H ALA A 36 6.753 4.336 4.040 1.00 11.50 H new ATOM 0 HA ALA A 36 7.067 3.480 6.647 1.00 71.35 H new ATOM 0 HB1 ALA A 36 7.179 5.891 7.184 1.00 64.44 H new ATOM 0 HB2 ALA A 36 8.086 5.502 5.703 1.00 64.44 H new ATOM 0 HB3 ALA A 36 6.485 6.271 5.590 1.00 64.44 H new ATOM 551 N PRO A 37 4.161 5.042 6.251 1.00 34.14 N ATOM 552 CA PRO A 37 2.809 5.191 6.798 1.00 32.24 C ATOM 553 C PRO A 37 1.961 3.939 6.598 1.00 41.33 C ATOM 554 O PRO A 37 1.113 3.611 7.428 1.00 43.10 O ATOM 555 CB PRO A 37 2.230 6.362 6.001 1.00 43.14 C ATOM 556 CG PRO A 37 2.989 6.359 4.719 1.00 63.23 C ATOM 557 CD PRO A 37 4.373 5.878 5.058 1.00 41.00 C ATOM 0 HA PRO A 37 2.822 5.356 7.875 1.00 32.24 H new ATOM 0 HB2 PRO A 37 1.161 6.234 5.829 1.00 43.14 H new ATOM 0 HB3 PRO A 37 2.356 7.305 6.534 1.00 43.14 H new ATOM 0 HG2 PRO A 37 2.516 5.704 3.987 1.00 63.23 H new ATOM 0 HG3 PRO A 37 3.019 7.357 4.281 1.00 63.23 H new ATOM 0 HD2 PRO A 37 4.811 5.307 4.240 1.00 41.00 H new ATOM 0 HD3 PRO A 37 5.048 6.709 5.264 1.00 41.00 H new ATOM 565 N LYS A 38 2.195 3.243 5.491 1.00 64.04 N ATOM 566 CA LYS A 38 1.455 2.026 5.181 1.00 70.33 C ATOM 567 C LYS A 38 1.711 0.951 6.232 1.00 34.32 C ATOM 568 O LYS A 38 0.776 0.424 6.836 1.00 71.33 O ATOM 569 CB LYS A 38 1.847 1.504 3.797 1.00 65.14 C ATOM 570 CG LYS A 38 0.889 1.921 2.695 1.00 50.42 C ATOM 571 CD LYS A 38 1.378 3.165 1.972 1.00 63.14 C ATOM 572 CE LYS A 38 2.291 2.810 0.808 1.00 60.12 C ATOM 573 NZ LYS A 38 3.082 3.984 0.345 1.00 72.10 N ATOM 0 H LYS A 38 2.892 3.501 4.793 1.00 64.04 H new ATOM 0 HA LYS A 38 0.392 2.267 5.184 1.00 70.33 H new ATOM 0 HB2 LYS A 38 2.847 1.863 3.553 1.00 65.14 H new ATOM 0 HB3 LYS A 38 1.898 0.416 3.830 1.00 65.14 H new ATOM 0 HG2 LYS A 38 0.777 1.105 1.981 1.00 50.42 H new ATOM 0 HG3 LYS A 38 -0.096 2.110 3.121 1.00 50.42 H new ATOM 0 HD2 LYS A 38 0.523 3.734 1.605 1.00 63.14 H new ATOM 0 HD3 LYS A 38 1.912 3.808 2.672 1.00 63.14 H new ATOM 0 HE2 LYS A 38 2.969 2.011 1.109 1.00 60.12 H new ATOM 0 HE3 LYS A 38 1.693 2.426 -0.019 1.00 60.12 H new ATOM 0 HZ1 LYS A 38 3.219 3.926 -0.684 1.00 72.10 H new ATOM 0 HZ2 LYS A 38 2.572 4.860 0.577 1.00 72.10 H new ATOM 0 HZ3 LYS A 38 4.008 3.987 0.818 1.00 72.10 H new ATOM 587 N VAL A 39 2.983 0.631 6.448 1.00 73.21 N ATOM 588 CA VAL A 39 3.361 -0.379 7.429 1.00 62.44 C ATOM 589 C VAL A 39 2.998 0.063 8.842 1.00 40.04 C ATOM 590 O VAL A 39 2.499 -0.728 9.642 1.00 40.34 O ATOM 591 CB VAL A 39 4.870 -0.682 7.369 1.00 3.31 C ATOM 592 CG1 VAL A 39 5.228 -1.808 8.327 1.00 13.22 C ATOM 593 CG2 VAL A 39 5.288 -1.027 5.948 1.00 65.02 C ATOM 0 H VAL A 39 3.769 1.057 5.957 1.00 73.21 H new ATOM 0 HA VAL A 39 2.806 -1.284 7.181 1.00 62.44 H new ATOM 0 HB VAL A 39 5.414 0.211 7.677 1.00 3.31 H new ATOM 0 HG11 VAL A 39 6.298 -2.008 8.270 1.00 13.22 H new ATOM 0 HG12 VAL A 39 4.967 -1.517 9.344 1.00 13.22 H new ATOM 0 HG13 VAL A 39 4.676 -2.707 8.054 1.00 13.22 H new ATOM 0 HG21 VAL A 39 6.357 -1.238 5.924 1.00 65.02 H new ATOM 0 HG22 VAL A 39 4.737 -1.905 5.610 1.00 65.02 H new ATOM 0 HG23 VAL A 39 5.070 -0.186 5.290 1.00 65.02 H new ATOM 603 N ALA A 40 3.252 1.333 9.142 1.00 75.33 N ATOM 604 CA ALA A 40 2.949 1.882 10.458 1.00 71.34 C ATOM 605 C ALA A 40 1.457 1.795 10.759 1.00 74.52 C ATOM 606 O ALA A 40 1.058 1.426 11.863 1.00 1.01 O ATOM 607 CB ALA A 40 3.425 3.324 10.550 1.00 55.02 C ATOM 0 H ALA A 40 3.667 2.000 8.492 1.00 75.33 H new ATOM 0 HA ALA A 40 3.478 1.288 11.203 1.00 71.34 H new ATOM 0 HB1 ALA A 40 3.192 3.722 11.538 1.00 55.02 H new ATOM 0 HB2 ALA A 40 4.502 3.363 10.388 1.00 55.02 H new ATOM 0 HB3 ALA A 40 2.922 3.922 9.790 1.00 55.02 H new ATOM 613 N GLU A 41 0.637 2.137 9.770 1.00 72.42 N ATOM 614 CA GLU A 41 -0.812 2.098 9.931 1.00 21.13 C ATOM 615 C GLU A 41 -1.299 0.666 10.132 1.00 61.31 C ATOM 616 O GLU A 41 -2.035 0.376 11.074 1.00 32.33 O ATOM 617 CB GLU A 41 -1.500 2.716 8.712 1.00 1.24 C ATOM 618 CG GLU A 41 -2.987 2.955 8.909 1.00 15.33 C ATOM 619 CD GLU A 41 -3.675 3.428 7.643 1.00 1.43 C ATOM 620 OE1 GLU A 41 -3.616 2.703 6.629 1.00 70.22 O ATOM 621 OE2 GLU A 41 -4.272 4.525 7.668 1.00 52.13 O ATOM 0 H GLU A 41 0.951 2.444 8.849 1.00 72.42 H new ATOM 0 HA GLU A 41 -1.069 2.678 10.817 1.00 21.13 H new ATOM 0 HB2 GLU A 41 -1.017 3.664 8.474 1.00 1.24 H new ATOM 0 HB3 GLU A 41 -1.357 2.060 7.853 1.00 1.24 H new ATOM 0 HG2 GLU A 41 -3.457 2.033 9.251 1.00 15.33 H new ATOM 0 HG3 GLU A 41 -3.131 3.696 9.695 1.00 15.33 H new ATOM 628 N MET A 42 -0.882 -0.225 9.238 1.00 33.31 N ATOM 629 CA MET A 42 -1.275 -1.627 9.317 1.00 74.40 C ATOM 630 C MET A 42 -0.780 -2.259 10.614 1.00 3.21 C ATOM 631 O MET A 42 -1.471 -3.077 11.221 1.00 54.41 O ATOM 632 CB MET A 42 -0.726 -2.401 8.117 1.00 73.40 C ATOM 633 CG MET A 42 -1.699 -3.428 7.560 1.00 64.34 C ATOM 634 SD MET A 42 -1.999 -4.791 8.701 1.00 34.31 S ATOM 635 CE MET A 42 -0.335 -5.410 8.935 1.00 31.34 C ATOM 0 H MET A 42 -0.273 -0.001 8.451 1.00 33.31 H new ATOM 0 HA MET A 42 -2.364 -1.674 9.304 1.00 74.40 H new ATOM 0 HB2 MET A 42 -0.464 -1.695 7.329 1.00 73.40 H new ATOM 0 HB3 MET A 42 0.194 -2.906 8.411 1.00 73.40 H new ATOM 0 HG2 MET A 42 -2.645 -2.938 7.328 1.00 64.34 H new ATOM 0 HG3 MET A 42 -1.307 -3.823 6.623 1.00 64.34 H new ATOM 0 HE1 MET A 42 -0.374 -6.375 9.440 1.00 31.34 H new ATOM 0 HE2 MET A 42 0.150 -5.526 7.966 1.00 31.34 H new ATOM 0 HE3 MET A 42 0.233 -4.706 9.542 1.00 31.34 H new ATOM 645 N TRP A 43 0.421 -1.875 11.033 1.00 54.54 N ATOM 646 CA TRP A 43 1.008 -2.404 12.258 1.00 22.11 C ATOM 647 C TRP A 43 0.180 -2.007 13.475 1.00 73.12 C ATOM 648 O TRP A 43 -0.227 -2.858 14.266 1.00 33.01 O ATOM 649 CB TRP A 43 2.444 -1.902 12.418 1.00 63.23 C ATOM 650 CG TRP A 43 3.135 -2.455 13.627 1.00 5.55 C ATOM 651 CD1 TRP A 43 3.789 -3.650 13.724 1.00 45.44 C ATOM 652 CD2 TRP A 43 3.239 -1.834 14.913 1.00 1.44 C ATOM 653 NE1 TRP A 43 4.293 -3.809 14.992 1.00 45.00 N ATOM 654 CE2 TRP A 43 3.970 -2.708 15.741 1.00 63.43 C ATOM 655 CE3 TRP A 43 2.788 -0.623 15.446 1.00 74.11 C ATOM 656 CZ2 TRP A 43 4.257 -2.410 17.070 1.00 42.40 C ATOM 657 CZ3 TRP A 43 3.073 -0.328 16.765 1.00 31.24 C ATOM 658 CH2 TRP A 43 3.803 -1.218 17.565 1.00 14.32 C ATOM 0 H TRP A 43 1.007 -1.199 10.542 1.00 54.54 H new ATOM 0 HA TRP A 43 1.016 -3.492 12.187 1.00 22.11 H new ATOM 0 HB2 TRP A 43 3.015 -2.168 11.529 1.00 63.23 H new ATOM 0 HB3 TRP A 43 2.436 -0.814 12.479 1.00 63.23 H new ATOM 0 HD1 TRP A 43 3.894 -4.365 12.922 1.00 45.44 H new ATOM 0 HE1 TRP A 43 4.822 -4.616 15.322 1.00 45.00 H new ATOM 0 HE3 TRP A 43 2.226 0.070 14.837 1.00 74.11 H new ATOM 0 HZ2 TRP A 43 4.818 -3.095 17.688 1.00 42.40 H new ATOM 0 HZ3 TRP A 43 2.728 0.604 17.187 1.00 31.24 H new ATOM 0 HH2 TRP A 43 4.011 -0.958 18.592 1.00 14.32 H new ATOM 669 N LYS A 44 -0.068 -0.710 13.619 1.00 5.42 N ATOM 670 CA LYS A 44 -0.849 -0.199 14.739 1.00 33.11 C ATOM 671 C LYS A 44 -2.230 -0.846 14.779 1.00 60.43 C ATOM 672 O LYS A 44 -2.610 -1.458 15.777 1.00 42.42 O ATOM 673 CB LYS A 44 -0.990 1.321 14.639 1.00 40.45 C ATOM 674 CG LYS A 44 -1.930 1.915 15.673 1.00 11.13 C ATOM 675 CD LYS A 44 -3.253 2.330 15.052 1.00 51.13 C ATOM 676 CE LYS A 44 -3.874 3.503 15.795 1.00 53.04 C ATOM 677 NZ LYS A 44 -3.630 4.795 15.095 1.00 23.23 N ATOM 0 H LYS A 44 0.261 0.008 12.973 1.00 5.42 H new ATOM 0 HA LYS A 44 -0.322 -0.449 15.660 1.00 33.11 H new ATOM 0 HB2 LYS A 44 -0.006 1.777 14.751 1.00 40.45 H new ATOM 0 HB3 LYS A 44 -1.350 1.579 13.643 1.00 40.45 H new ATOM 0 HG2 LYS A 44 -2.111 1.186 16.463 1.00 11.13 H new ATOM 0 HG3 LYS A 44 -1.459 2.780 16.140 1.00 11.13 H new ATOM 0 HD2 LYS A 44 -3.097 2.601 14.008 1.00 51.13 H new ATOM 0 HD3 LYS A 44 -3.942 1.485 15.063 1.00 51.13 H new ATOM 0 HE2 LYS A 44 -4.947 3.342 15.896 1.00 53.04 H new ATOM 0 HE3 LYS A 44 -3.463 3.553 16.803 1.00 53.04 H new ATOM 0 HZ1 LYS A 44 -4.069 5.569 15.633 1.00 23.23 H new ATOM 0 HZ2 LYS A 44 -2.606 4.962 15.021 1.00 23.23 H new ATOM 0 HZ3 LYS A 44 -4.044 4.757 14.142 1.00 23.23 H new ATOM 691 N GLU A 45 -2.975 -0.709 13.686 1.00 1.43 N ATOM 692 CA GLU A 45 -4.313 -1.281 13.598 1.00 60.22 C ATOM 693 C GLU A 45 -4.288 -2.774 13.912 1.00 23.30 C ATOM 694 O GLU A 45 -5.199 -3.301 14.551 1.00 52.23 O ATOM 695 CB GLU A 45 -4.899 -1.052 12.203 1.00 65.32 C ATOM 696 CG GLU A 45 -4.216 -1.865 11.115 1.00 3.43 C ATOM 697 CD GLU A 45 -4.805 -1.612 9.741 1.00 12.12 C ATOM 698 OE1 GLU A 45 -4.406 -0.618 9.099 1.00 60.02 O ATOM 699 OE2 GLU A 45 -5.665 -2.407 9.309 1.00 53.04 O ATOM 0 H GLU A 45 -2.675 -0.207 12.850 1.00 1.43 H new ATOM 0 HA GLU A 45 -4.943 -0.783 14.335 1.00 60.22 H new ATOM 0 HB2 GLU A 45 -5.960 -1.300 12.219 1.00 65.32 H new ATOM 0 HB3 GLU A 45 -4.823 0.007 11.955 1.00 65.32 H new ATOM 0 HG2 GLU A 45 -3.153 -1.625 11.100 1.00 3.43 H new ATOM 0 HG3 GLU A 45 -4.300 -2.926 11.352 1.00 3.43 H new ATOM 706 N TYR A 46 -3.238 -3.450 13.458 1.00 33.43 N ATOM 707 CA TYR A 46 -3.095 -4.883 13.688 1.00 62.22 C ATOM 708 C TYR A 46 -2.753 -5.170 15.147 1.00 44.33 C ATOM 709 O TYR A 46 -3.085 -6.229 15.677 1.00 65.41 O ATOM 710 CB TYR A 46 -2.012 -5.461 12.775 1.00 23.13 C ATOM 711 CG TYR A 46 -1.496 -6.809 13.226 1.00 73.20 C ATOM 712 CD1 TYR A 46 -0.425 -6.906 14.105 1.00 23.43 C ATOM 713 CD2 TYR A 46 -2.080 -7.985 12.772 1.00 22.50 C ATOM 714 CE1 TYR A 46 0.050 -8.136 14.519 1.00 2.14 C ATOM 715 CE2 TYR A 46 -1.612 -9.219 13.182 1.00 75.11 C ATOM 716 CZ TYR A 46 -0.547 -9.289 14.055 1.00 32.23 C ATOM 717 OH TYR A 46 -0.078 -10.516 14.465 1.00 61.22 O ATOM 0 H TYR A 46 -2.474 -3.029 12.929 1.00 33.43 H new ATOM 0 HA TYR A 46 -4.048 -5.359 13.457 1.00 62.22 H new ATOM 0 HB2 TYR A 46 -2.411 -5.554 11.765 1.00 23.13 H new ATOM 0 HB3 TYR A 46 -1.179 -4.760 12.725 1.00 23.13 H new ATOM 0 HD1 TYR A 46 0.045 -6.005 14.471 1.00 23.43 H new ATOM 0 HD2 TYR A 46 -2.914 -7.934 12.087 1.00 22.50 H new ATOM 0 HE1 TYR A 46 0.884 -8.194 15.202 1.00 2.14 H new ATOM 0 HE2 TYR A 46 -2.078 -10.124 12.821 1.00 75.11 H new ATOM 0 HH TYR A 46 -0.824 -11.150 14.520 1.00 61.22 H new ATOM 727 N MET A 47 -2.087 -4.216 15.790 1.00 41.03 N ATOM 728 CA MET A 47 -1.701 -4.364 17.188 1.00 22.12 C ATOM 729 C MET A 47 -2.861 -4.010 18.113 1.00 51.11 C ATOM 730 O MET A 47 -2.903 -4.441 19.266 1.00 73.31 O ATOM 731 CB MET A 47 -0.494 -3.478 17.503 1.00 61.12 C ATOM 732 CG MET A 47 0.775 -3.901 16.780 1.00 0.24 C ATOM 733 SD MET A 47 1.738 -5.105 17.715 1.00 3.33 S ATOM 734 CE MET A 47 2.374 -4.077 19.037 1.00 10.41 C ATOM 0 H MET A 47 -1.804 -3.333 15.365 1.00 41.03 H new ATOM 0 HA MET A 47 -1.431 -5.407 17.356 1.00 22.12 H new ATOM 0 HB2 MET A 47 -0.729 -2.448 17.234 1.00 61.12 H new ATOM 0 HB3 MET A 47 -0.313 -3.494 18.578 1.00 61.12 H new ATOM 0 HG2 MET A 47 0.512 -4.325 15.811 1.00 0.24 H new ATOM 0 HG3 MET A 47 1.389 -3.021 16.587 1.00 0.24 H new ATOM 0 HE1 MET A 47 3.453 -4.208 19.113 1.00 10.41 H new ATOM 0 HE2 MET A 47 2.150 -3.032 18.825 1.00 10.41 H new ATOM 0 HE3 MET A 47 1.906 -4.365 19.979 1.00 10.41 H new ATOM 744 N LEU A 48 -3.800 -3.222 17.601 1.00 35.40 N ATOM 745 CA LEU A 48 -4.962 -2.810 18.381 1.00 1.05 C ATOM 746 C LEU A 48 -6.166 -3.696 18.076 1.00 43.51 C ATOM 747 O LEU A 48 -7.308 -3.239 18.106 1.00 15.41 O ATOM 748 CB LEU A 48 -5.303 -1.348 18.091 1.00 53.54 C ATOM 749 CG LEU A 48 -4.181 -0.337 18.326 1.00 5.41 C ATOM 750 CD1 LEU A 48 -4.546 1.015 17.733 1.00 50.05 C ATOM 751 CD2 LEU A 48 -3.884 -0.206 19.813 1.00 51.50 C ATOM 0 H LEU A 48 -3.780 -2.856 16.649 1.00 35.40 H new ATOM 0 HA LEU A 48 -4.715 -2.916 19.437 1.00 1.05 H new ATOM 0 HB2 LEU A 48 -5.623 -1.270 17.052 1.00 53.54 H new ATOM 0 HB3 LEU A 48 -6.155 -1.065 18.709 1.00 53.54 H new ATOM 0 HG LEU A 48 -3.282 -0.699 17.826 1.00 5.41 H new ATOM 0 HD11 LEU A 48 -3.735 1.721 17.911 1.00 50.05 H new ATOM 0 HD12 LEU A 48 -4.707 0.910 16.660 1.00 50.05 H new ATOM 0 HD13 LEU A 48 -5.458 1.384 18.203 1.00 50.05 H new ATOM 0 HD21 LEU A 48 -3.083 0.518 19.962 1.00 51.50 H new ATOM 0 HD22 LEU A 48 -4.780 0.132 20.335 1.00 51.50 H new ATOM 0 HD23 LEU A 48 -3.577 -1.174 20.209 1.00 51.50 H new ATOM 763 N ARG A 49 -5.901 -4.965 17.784 1.00 51.20 N ATOM 764 CA ARG A 49 -6.963 -5.915 17.474 1.00 2.31 C ATOM 765 C ARG A 49 -7.109 -6.949 18.587 1.00 43.15 C ATOM 766 O ARG A 49 -6.158 -7.266 19.302 1.00 41.14 O ATOM 767 CB ARG A 49 -6.677 -6.616 16.145 1.00 25.42 C ATOM 768 CG ARG A 49 -7.210 -5.868 14.934 1.00 21.43 C ATOM 769 CD ARG A 49 -6.583 -6.376 13.645 1.00 31.32 C ATOM 770 NE ARG A 49 -7.386 -7.425 13.022 1.00 31.13 N ATOM 771 CZ ARG A 49 -7.044 -8.042 11.897 1.00 63.11 C ATOM 772 NH1 ARG A 49 -5.919 -7.717 11.275 1.00 61.43 N ATOM 773 NH2 ARG A 49 -7.827 -8.987 11.392 1.00 51.41 N ATOM 0 H ARG A 49 -4.961 -5.359 17.756 1.00 51.20 H new ATOM 0 HA ARG A 49 -7.899 -5.362 17.391 1.00 2.31 H new ATOM 0 HB2 ARG A 49 -5.600 -6.745 16.037 1.00 25.42 H new ATOM 0 HB3 ARG A 49 -7.117 -7.613 16.168 1.00 25.42 H new ATOM 0 HG2 ARG A 49 -8.293 -5.981 14.883 1.00 21.43 H new ATOM 0 HG3 ARG A 49 -7.006 -4.803 15.044 1.00 21.43 H new ATOM 0 HD2 ARG A 49 -6.466 -5.547 12.947 1.00 31.32 H new ATOM 0 HD3 ARG A 49 -5.585 -6.760 13.854 1.00 31.32 H new ATOM 0 HE ARG A 49 -8.257 -7.699 13.476 1.00 31.13 H new ATOM 0 HH11 ARG A 49 -5.314 -6.992 11.661 1.00 61.43 H new ATOM 0 HH12 ARG A 49 -5.658 -8.192 10.411 1.00 61.43 H new ATOM 0 HH21 ARG A 49 -8.693 -9.240 11.868 1.00 51.41 H new ATOM 0 HH22 ARG A 49 -7.563 -9.460 10.528 1.00 51.41 H new ATOM 787 N PRO A 50 -8.328 -7.488 18.738 1.00 44.14 N ATOM 788 CA PRO A 50 -8.627 -8.494 19.761 1.00 60.02 C ATOM 789 C PRO A 50 -7.963 -9.835 19.467 1.00 10.00 C ATOM 790 O PRO A 50 -7.377 -10.455 20.354 1.00 64.53 O ATOM 791 CB PRO A 50 -10.151 -8.626 19.694 1.00 45.41 C ATOM 792 CG PRO A 50 -10.506 -8.213 18.307 1.00 2.12 C ATOM 793 CD PRO A 50 -9.507 -7.157 17.921 1.00 73.02 C ATOM 0 HA PRO A 50 -8.253 -8.201 20.742 1.00 60.02 H new ATOM 0 HB2 PRO A 50 -10.469 -9.649 19.896 1.00 45.41 H new ATOM 0 HB3 PRO A 50 -10.637 -7.989 20.433 1.00 45.41 H new ATOM 0 HG2 PRO A 50 -10.461 -9.061 17.624 1.00 2.12 H new ATOM 0 HG3 PRO A 50 -11.523 -7.823 18.264 1.00 2.12 H new ATOM 0 HD2 PRO A 50 -9.279 -7.189 16.856 1.00 73.02 H new ATOM 0 HD3 PRO A 50 -9.877 -6.155 18.138 1.00 73.02 H new ATOM 801 N SER A 51 -8.059 -10.276 18.217 1.00 60.31 N ATOM 802 CA SER A 51 -7.470 -11.546 17.807 1.00 12.12 C ATOM 803 C SER A 51 -6.016 -11.641 18.259 1.00 31.41 C ATOM 804 O SER A 51 -5.577 -12.675 18.763 1.00 61.43 O ATOM 805 CB SER A 51 -7.555 -11.705 16.288 1.00 35.20 C ATOM 806 OG SER A 51 -8.895 -11.900 15.870 1.00 34.31 O ATOM 0 H SER A 51 -8.539 -9.773 17.471 1.00 60.31 H new ATOM 0 HA SER A 51 -8.033 -12.350 18.281 1.00 12.12 H new ATOM 0 HB2 SER A 51 -7.145 -10.819 15.803 1.00 35.20 H new ATOM 0 HB3 SER A 51 -6.946 -12.552 15.973 1.00 35.20 H new ATOM 0 HG SER A 51 -8.923 -11.997 14.895 1.00 34.31 H new ATOM 812 N VAL A 52 -5.273 -10.554 18.075 1.00 33.42 N ATOM 813 CA VAL A 52 -3.869 -10.514 18.464 1.00 3.53 C ATOM 814 C VAL A 52 -3.712 -10.665 19.973 1.00 2.02 C ATOM 815 O VAL A 52 -4.350 -9.954 20.748 1.00 30.11 O ATOM 816 CB VAL A 52 -3.201 -9.199 18.019 1.00 11.22 C ATOM 817 CG1 VAL A 52 -1.711 -9.227 18.322 1.00 22.23 C ATOM 818 CG2 VAL A 52 -3.448 -8.951 16.539 1.00 63.13 C ATOM 0 H VAL A 52 -5.620 -9.690 17.659 1.00 33.42 H new ATOM 0 HA VAL A 52 -3.378 -11.350 17.965 1.00 3.53 H new ATOM 0 HB VAL A 52 -3.646 -8.378 18.581 1.00 11.22 H new ATOM 0 HG11 VAL A 52 -1.257 -8.290 18.001 1.00 22.23 H new ATOM 0 HG12 VAL A 52 -1.560 -9.355 19.394 1.00 22.23 H new ATOM 0 HG13 VAL A 52 -1.247 -10.057 17.789 1.00 22.23 H new ATOM 0 HG21 VAL A 52 -2.969 -8.018 16.242 1.00 63.13 H new ATOM 0 HG22 VAL A 52 -3.032 -9.774 15.958 1.00 63.13 H new ATOM 0 HG23 VAL A 52 -4.520 -8.883 16.355 1.00 63.13 H new ATOM 828 N ASN A 53 -2.857 -11.597 20.383 1.00 11.41 N ATOM 829 CA ASN A 53 -2.616 -11.842 21.800 1.00 3.14 C ATOM 830 C ASN A 53 -1.455 -10.993 22.309 1.00 2.14 C ATOM 831 O ASN A 53 -0.695 -10.424 21.524 1.00 14.14 O ATOM 832 CB ASN A 53 -2.322 -13.324 22.040 1.00 64.11 C ATOM 833 CG ASN A 53 -3.585 -14.141 22.231 1.00 11.34 C ATOM 834 OD1 ASN A 53 -3.781 -15.164 21.576 1.00 31.54 O ATOM 835 ND2 ASN A 53 -4.450 -13.690 23.133 1.00 42.32 N ATOM 0 H ASN A 53 -2.320 -12.194 19.754 1.00 11.41 H new ATOM 0 HA ASN A 53 -3.515 -11.563 22.349 1.00 3.14 H new ATOM 0 HB2 ASN A 53 -1.760 -13.721 21.195 1.00 64.11 H new ATOM 0 HB3 ASN A 53 -1.689 -13.428 22.921 1.00 64.11 H new ATOM 0 HD21 ASN A 53 -5.318 -14.197 23.305 1.00 42.32 H new ATOM 0 HD22 ASN A 53 -4.246 -12.837 23.653 1.00 42.32 H new ATOM 842 N THR A 54 -1.322 -10.912 23.630 1.00 53.12 N ATOM 843 CA THR A 54 -0.255 -10.133 24.245 1.00 51.35 C ATOM 844 C THR A 54 1.103 -10.500 23.657 1.00 55.14 C ATOM 845 O THR A 54 1.913 -9.626 23.349 1.00 42.10 O ATOM 846 CB THR A 54 -0.214 -10.341 25.770 1.00 35.12 C ATOM 847 OG1 THR A 54 -0.701 -11.647 26.099 1.00 22.13 O ATOM 848 CG2 THR A 54 -1.051 -9.289 26.483 1.00 45.45 C ATOM 0 H THR A 54 -1.941 -11.377 24.294 1.00 53.12 H new ATOM 0 HA THR A 54 -0.468 -9.085 24.035 1.00 51.35 H new ATOM 0 HB THR A 54 0.820 -10.245 26.100 1.00 35.12 H new ATOM 0 HG1 THR A 54 -1.669 -11.608 26.245 1.00 22.13 H new ATOM 0 HG21 THR A 54 -1.007 -9.457 27.559 1.00 45.45 H new ATOM 0 HG22 THR A 54 -0.661 -8.297 26.254 1.00 45.45 H new ATOM 0 HG23 THR A 54 -2.086 -9.359 26.147 1.00 45.45 H new ATOM 856 N ARG A 55 1.344 -11.798 23.502 1.00 11.43 N ATOM 857 CA ARG A 55 2.605 -12.280 22.951 1.00 35.02 C ATOM 858 C ARG A 55 2.931 -11.571 21.640 1.00 62.52 C ATOM 859 O ARG A 55 4.018 -11.017 21.476 1.00 23.34 O ATOM 860 CB ARG A 55 2.541 -13.792 22.724 1.00 3.45 C ATOM 861 CG ARG A 55 3.902 -14.469 22.753 1.00 74.12 C ATOM 862 CD ARG A 55 3.769 -15.984 22.771 1.00 42.10 C ATOM 863 NE ARG A 55 5.068 -16.646 22.863 1.00 12.24 N ATOM 864 CZ ARG A 55 5.757 -16.757 23.993 1.00 3.34 C ATOM 865 NH1 ARG A 55 5.275 -16.253 25.121 1.00 55.23 N ATOM 866 NH2 ARG A 55 6.932 -17.373 23.997 1.00 22.42 N ATOM 0 H ARG A 55 0.683 -12.534 23.750 1.00 11.43 H new ATOM 0 HA ARG A 55 3.395 -12.060 23.669 1.00 35.02 H new ATOM 0 HB2 ARG A 55 1.905 -14.239 23.488 1.00 3.45 H new ATOM 0 HB3 ARG A 55 2.068 -13.987 21.762 1.00 3.45 H new ATOM 0 HG2 ARG A 55 4.480 -14.164 21.881 1.00 74.12 H new ATOM 0 HG3 ARG A 55 4.455 -14.140 23.633 1.00 74.12 H new ATOM 0 HD2 ARG A 55 3.149 -16.284 23.616 1.00 42.10 H new ATOM 0 HD3 ARG A 55 3.257 -16.314 21.867 1.00 42.10 H new ATOM 0 HE ARG A 55 5.467 -17.045 22.013 1.00 12.24 H new ATOM 0 HH11 ARG A 55 4.372 -15.778 25.123 1.00 55.23 H new ATOM 0 HH12 ARG A 55 5.807 -16.340 25.987 1.00 55.23 H new ATOM 0 HH21 ARG A 55 7.307 -17.762 23.132 1.00 22.42 H new ATOM 0 HH22 ARG A 55 7.460 -17.458 24.865 1.00 22.42 H new ATOM 880 N ARG A 56 1.983 -11.594 20.709 1.00 61.32 N ATOM 881 CA ARG A 56 2.171 -10.956 19.412 1.00 53.14 C ATOM 882 C ARG A 56 2.580 -9.495 19.578 1.00 33.45 C ATOM 883 O ARG A 56 3.468 -9.004 18.881 1.00 32.24 O ATOM 884 CB ARG A 56 0.887 -11.046 18.585 1.00 52.14 C ATOM 885 CG ARG A 56 0.831 -12.263 17.676 1.00 25.33 C ATOM 886 CD ARG A 56 -0.601 -12.712 17.433 1.00 40.14 C ATOM 887 NE ARG A 56 -1.037 -13.706 18.409 1.00 23.52 N ATOM 888 CZ ARG A 56 -2.057 -14.533 18.211 1.00 73.21 C ATOM 889 NH1 ARG A 56 -2.743 -14.485 17.077 1.00 14.24 N ATOM 890 NH2 ARG A 56 -2.393 -15.411 19.147 1.00 32.14 N ATOM 0 H ARG A 56 1.077 -12.047 20.829 1.00 61.32 H new ATOM 0 HA ARG A 56 2.970 -11.482 18.889 1.00 53.14 H new ATOM 0 HB2 ARG A 56 0.031 -11.068 19.260 1.00 52.14 H new ATOM 0 HB3 ARG A 56 0.792 -10.145 17.978 1.00 52.14 H new ATOM 0 HG2 ARG A 56 1.307 -12.029 16.724 1.00 25.33 H new ATOM 0 HG3 ARG A 56 1.398 -13.079 18.124 1.00 25.33 H new ATOM 0 HD2 ARG A 56 -1.264 -11.848 17.475 1.00 40.14 H new ATOM 0 HD3 ARG A 56 -0.685 -13.129 16.429 1.00 40.14 H new ATOM 0 HE ARG A 56 -0.530 -13.769 19.292 1.00 23.52 H new ATOM 0 HH11 ARG A 56 -2.488 -13.812 16.355 1.00 14.24 H new ATOM 0 HH12 ARG A 56 -3.526 -15.121 16.927 1.00 14.24 H new ATOM 0 HH21 ARG A 56 -1.868 -15.452 20.020 1.00 32.14 H new ATOM 0 HH22 ARG A 56 -3.177 -16.045 18.993 1.00 32.14 H new ATOM 904 N LYS A 57 1.925 -8.806 20.507 1.00 44.43 N ATOM 905 CA LYS A 57 2.220 -7.402 20.767 1.00 41.50 C ATOM 906 C LYS A 57 3.655 -7.228 21.255 1.00 33.14 C ATOM 907 O LYS A 57 4.416 -6.429 20.708 1.00 75.02 O ATOM 908 CB LYS A 57 1.246 -6.838 21.804 1.00 74.23 C ATOM 909 CG LYS A 57 -0.091 -6.419 21.217 1.00 11.51 C ATOM 910 CD LYS A 57 -1.071 -7.579 21.176 1.00 12.03 C ATOM 911 CE LYS A 57 -2.427 -7.145 20.642 1.00 54.42 C ATOM 912 NZ LYS A 57 -3.091 -6.164 21.544 1.00 10.45 N ATOM 0 H LYS A 57 1.187 -9.197 21.092 1.00 44.43 H new ATOM 0 HA LYS A 57 2.104 -6.854 19.832 1.00 41.50 H new ATOM 0 HB2 LYS A 57 1.075 -7.588 22.576 1.00 74.23 H new ATOM 0 HB3 LYS A 57 1.705 -5.978 22.291 1.00 74.23 H new ATOM 0 HG2 LYS A 57 -0.511 -5.607 21.811 1.00 11.51 H new ATOM 0 HG3 LYS A 57 0.059 -6.032 20.209 1.00 11.51 H new ATOM 0 HD2 LYS A 57 -0.669 -8.374 20.548 1.00 12.03 H new ATOM 0 HD3 LYS A 57 -1.189 -7.993 22.178 1.00 12.03 H new ATOM 0 HE2 LYS A 57 -2.303 -6.703 19.653 1.00 54.42 H new ATOM 0 HE3 LYS A 57 -3.067 -8.019 20.523 1.00 54.42 H new ATOM 0 HZ1 LYS A 57 -4.035 -6.514 21.803 1.00 10.45 H new ATOM 0 HZ2 LYS A 57 -2.519 -6.041 22.404 1.00 10.45 H new ATOM 0 HZ3 LYS A 57 -3.183 -5.250 21.056 1.00 10.45 H new ATOM 926 N LEU A 58 4.019 -7.982 22.287 1.00 53.20 N ATOM 927 CA LEU A 58 5.363 -7.913 22.848 1.00 4.43 C ATOM 928 C LEU A 58 6.418 -8.071 21.757 1.00 13.05 C ATOM 929 O LEU A 58 7.397 -7.325 21.712 1.00 55.40 O ATOM 930 CB LEU A 58 5.549 -8.995 23.914 1.00 51.43 C ATOM 931 CG LEU A 58 6.896 -9.001 24.636 1.00 4.24 C ATOM 932 CD1 LEU A 58 7.945 -9.723 23.805 1.00 71.03 C ATOM 933 CD2 LEU A 58 7.343 -7.579 24.944 1.00 63.02 C ATOM 0 H LEU A 58 3.402 -8.648 22.752 1.00 53.20 H new ATOM 0 HA LEU A 58 5.487 -6.933 23.309 1.00 4.43 H new ATOM 0 HB2 LEU A 58 4.761 -8.883 24.659 1.00 51.43 H new ATOM 0 HB3 LEU A 58 5.407 -9.968 23.444 1.00 51.43 H new ATOM 0 HG LEU A 58 6.778 -9.536 25.578 1.00 4.24 H new ATOM 0 HD11 LEU A 58 8.897 -9.717 24.336 1.00 71.03 H new ATOM 0 HD12 LEU A 58 7.630 -10.753 23.637 1.00 71.03 H new ATOM 0 HD13 LEU A 58 8.061 -9.218 22.846 1.00 71.03 H new ATOM 0 HD21 LEU A 58 8.304 -7.603 25.458 1.00 63.02 H new ATOM 0 HD22 LEU A 58 7.443 -7.020 24.014 1.00 63.02 H new ATOM 0 HD23 LEU A 58 6.603 -7.095 25.581 1.00 63.02 H new ATOM 945 N LEU A 59 6.211 -9.046 20.879 1.00 13.30 N ATOM 946 CA LEU A 59 7.142 -9.301 19.786 1.00 62.02 C ATOM 947 C LEU A 59 7.082 -8.185 18.747 1.00 21.35 C ATOM 948 O LEU A 59 8.112 -7.714 18.267 1.00 62.40 O ATOM 949 CB LEU A 59 6.829 -10.645 19.126 1.00 54.13 C ATOM 950 CG LEU A 59 6.860 -11.867 20.044 1.00 65.32 C ATOM 951 CD1 LEU A 59 6.623 -13.140 19.246 1.00 32.22 C ATOM 952 CD2 LEU A 59 8.186 -11.941 20.787 1.00 21.34 C ATOM 0 H LEU A 59 5.407 -9.673 20.903 1.00 13.30 H new ATOM 0 HA LEU A 59 8.150 -9.333 20.200 1.00 62.02 H new ATOM 0 HB2 LEU A 59 5.840 -10.582 18.671 1.00 54.13 H new ATOM 0 HB3 LEU A 59 7.542 -10.805 18.317 1.00 54.13 H new ATOM 0 HG LEU A 59 6.060 -11.768 20.777 1.00 65.32 H new ATOM 0 HD11 LEU A 59 6.649 -13.999 19.916 1.00 32.22 H new ATOM 0 HD12 LEU A 59 5.649 -13.088 18.759 1.00 32.22 H new ATOM 0 HD13 LEU A 59 7.401 -13.246 18.490 1.00 32.22 H new ATOM 0 HD21 LEU A 59 8.191 -12.817 21.436 1.00 21.34 H new ATOM 0 HD22 LEU A 59 9.002 -12.017 20.068 1.00 21.34 H new ATOM 0 HD23 LEU A 59 8.316 -11.042 21.390 1.00 21.34 H new ATOM 964 N GLY A 60 5.867 -7.765 18.407 1.00 24.01 N ATOM 965 CA GLY A 60 5.696 -6.706 17.430 1.00 75.34 C ATOM 966 C GLY A 60 6.484 -5.460 17.780 1.00 11.02 C ATOM 967 O GLY A 60 7.100 -4.841 16.911 1.00 15.34 O ATOM 0 H GLY A 60 4.999 -8.139 18.790 1.00 24.01 H new ATOM 0 HA2 GLY A 60 6.009 -7.066 16.450 1.00 75.34 H new ATOM 0 HA3 GLY A 60 4.638 -6.454 17.354 1.00 75.34 H new ATOM 971 N LEU A 61 6.465 -5.089 19.056 1.00 71.33 N ATOM 972 CA LEU A 61 7.182 -3.907 19.520 1.00 45.14 C ATOM 973 C LEU A 61 8.677 -4.032 19.240 1.00 73.02 C ATOM 974 O LEU A 61 9.317 -3.079 18.795 1.00 62.31 O ATOM 975 CB LEU A 61 6.948 -3.699 21.017 1.00 41.42 C ATOM 976 CG LEU A 61 6.656 -2.264 21.457 1.00 1.32 C ATOM 977 CD1 LEU A 61 6.536 -2.184 22.971 1.00 21.02 C ATOM 978 CD2 LEU A 61 7.740 -1.321 20.956 1.00 42.11 C ATOM 0 H LEU A 61 5.961 -5.590 19.787 1.00 71.33 H new ATOM 0 HA LEU A 61 6.800 -3.044 18.975 1.00 45.14 H new ATOM 0 HB2 LEU A 61 6.114 -4.329 21.325 1.00 41.42 H new ATOM 0 HB3 LEU A 61 7.829 -4.051 21.554 1.00 41.42 H new ATOM 0 HG LEU A 61 5.705 -1.957 21.021 1.00 1.32 H new ATOM 0 HD11 LEU A 61 6.328 -1.155 23.266 1.00 21.02 H new ATOM 0 HD12 LEU A 61 5.724 -2.829 23.306 1.00 21.02 H new ATOM 0 HD13 LEU A 61 7.470 -2.511 23.428 1.00 21.02 H new ATOM 0 HD21 LEU A 61 7.515 -0.304 21.279 1.00 42.11 H new ATOM 0 HD22 LEU A 61 8.704 -1.626 21.363 1.00 42.11 H new ATOM 0 HD23 LEU A 61 7.778 -1.356 19.867 1.00 42.11 H new ATOM 990 N TYR A 62 9.225 -5.213 19.501 1.00 22.23 N ATOM 991 CA TYR A 62 10.644 -5.463 19.278 1.00 62.21 C ATOM 992 C TYR A 62 10.976 -5.427 17.789 1.00 31.42 C ATOM 993 O TYR A 62 12.050 -4.976 17.391 1.00 44.41 O ATOM 994 CB TYR A 62 11.044 -6.816 19.869 1.00 63.25 C ATOM 995 CG TYR A 62 11.545 -6.731 21.293 1.00 45.05 C ATOM 996 CD1 TYR A 62 12.866 -6.396 21.566 1.00 51.50 C ATOM 997 CD2 TYR A 62 10.699 -6.987 22.364 1.00 2.43 C ATOM 998 CE1 TYR A 62 13.329 -6.317 22.865 1.00 34.14 C ATOM 999 CE2 TYR A 62 11.153 -6.909 23.667 1.00 72.12 C ATOM 1000 CZ TYR A 62 12.468 -6.574 23.912 1.00 21.22 C ATOM 1001 OH TYR A 62 12.924 -6.497 25.208 1.00 21.33 O ATOM 0 H TYR A 62 8.708 -6.013 19.867 1.00 22.23 H new ATOM 0 HA TYR A 62 11.209 -4.675 19.777 1.00 62.21 H new ATOM 0 HB2 TYR A 62 10.185 -7.486 19.834 1.00 63.25 H new ATOM 0 HB3 TYR A 62 11.820 -7.260 19.246 1.00 63.25 H new ATOM 0 HD1 TYR A 62 13.542 -6.194 20.748 1.00 51.50 H new ATOM 0 HD2 TYR A 62 9.669 -7.251 22.176 1.00 2.43 H new ATOM 0 HE1 TYR A 62 14.359 -6.056 23.060 1.00 34.14 H new ATOM 0 HE2 TYR A 62 10.482 -7.109 24.489 1.00 72.12 H new ATOM 0 HH TYR A 62 12.192 -6.706 25.825 1.00 21.33 H new ATOM 1011 N LEU A 63 10.045 -5.906 16.971 1.00 64.20 N ATOM 1012 CA LEU A 63 10.236 -5.929 15.525 1.00 65.31 C ATOM 1013 C LEU A 63 10.291 -4.513 14.960 1.00 24.43 C ATOM 1014 O LEU A 63 11.260 -4.134 14.303 1.00 61.01 O ATOM 1015 CB LEU A 63 9.108 -6.715 14.854 1.00 3.30 C ATOM 1016 CG LEU A 63 9.116 -6.727 13.325 1.00 23.50 C ATOM 1017 CD1 LEU A 63 8.400 -5.503 12.777 1.00 34.22 C ATOM 1018 CD2 LEU A 63 10.543 -6.792 12.800 1.00 61.03 C ATOM 0 H LEU A 63 9.151 -6.284 17.284 1.00 64.20 H new ATOM 0 HA LEU A 63 11.186 -6.420 15.317 1.00 65.31 H new ATOM 0 HB2 LEU A 63 9.151 -7.746 15.206 1.00 3.30 H new ATOM 0 HB3 LEU A 63 8.156 -6.303 15.189 1.00 3.30 H new ATOM 0 HG LEU A 63 8.584 -7.615 12.985 1.00 23.50 H new ATOM 0 HD11 LEU A 63 8.416 -5.529 11.687 1.00 34.22 H new ATOM 0 HD12 LEU A 63 7.367 -5.500 13.125 1.00 34.22 H new ATOM 0 HD13 LEU A 63 8.903 -4.601 13.126 1.00 34.22 H new ATOM 0 HD21 LEU A 63 10.530 -6.800 11.710 1.00 61.03 H new ATOM 0 HD22 LEU A 63 11.099 -5.922 13.150 1.00 61.03 H new ATOM 0 HD23 LEU A 63 11.023 -7.700 13.163 1.00 61.03 H new ATOM 1030 N MET A 64 9.246 -3.736 15.223 1.00 30.03 N ATOM 1031 CA MET A 64 9.177 -2.360 14.744 1.00 62.50 C ATOM 1032 C MET A 64 10.290 -1.515 15.356 1.00 35.13 C ATOM 1033 O MET A 64 10.780 -0.574 14.734 1.00 23.13 O ATOM 1034 CB MET A 64 7.815 -1.749 15.076 1.00 34.54 C ATOM 1035 CG MET A 64 7.680 -1.318 16.528 1.00 51.13 C ATOM 1036 SD MET A 64 8.071 0.425 16.773 1.00 23.13 S ATOM 1037 CE MET A 64 7.446 0.682 18.432 1.00 53.02 C ATOM 0 H MET A 64 8.435 -4.035 15.765 1.00 30.03 H new ATOM 0 HA MET A 64 9.307 -2.372 13.662 1.00 62.50 H new ATOM 0 HB2 MET A 64 7.646 -0.886 14.432 1.00 34.54 H new ATOM 0 HB3 MET A 64 7.035 -2.475 14.847 1.00 34.54 H new ATOM 0 HG2 MET A 64 6.662 -1.509 16.867 1.00 51.13 H new ATOM 0 HG3 MET A 64 8.341 -1.925 17.146 1.00 51.13 H new ATOM 0 HE1 MET A 64 7.004 1.676 18.504 1.00 53.02 H new ATOM 0 HE2 MET A 64 6.689 -0.069 18.656 1.00 53.02 H new ATOM 0 HE3 MET A 64 8.265 0.596 19.147 1.00 53.02 H new ATOM 1047 N ASN A 65 10.682 -1.857 16.579 1.00 30.41 N ATOM 1048 CA ASN A 65 11.736 -1.129 17.275 1.00 1.25 C ATOM 1049 C ASN A 65 13.084 -1.335 16.591 1.00 53.04 C ATOM 1050 O ASN A 65 13.826 -0.381 16.357 1.00 2.41 O ATOM 1051 CB ASN A 65 11.819 -1.581 18.735 1.00 54.41 C ATOM 1052 CG ASN A 65 12.862 -0.810 19.521 1.00 55.42 C ATOM 1053 OD1 ASN A 65 13.457 0.142 19.016 1.00 42.02 O ATOM 1054 ND2 ASN A 65 13.087 -1.218 20.764 1.00 60.50 N ATOM 0 H ASN A 65 10.286 -2.634 17.108 1.00 30.41 H new ATOM 0 HA ASN A 65 11.491 -0.067 17.243 1.00 1.25 H new ATOM 0 HB2 ASN A 65 10.845 -1.454 19.208 1.00 54.41 H new ATOM 0 HB3 ASN A 65 12.054 -2.645 18.770 1.00 54.41 H new ATOM 0 HD21 ASN A 65 13.777 -0.737 21.342 1.00 60.50 H new ATOM 0 HD22 ASN A 65 12.570 -2.012 21.142 1.00 60.50 H new ATOM 1061 N HIS A 66 13.393 -2.587 16.270 1.00 22.54 N ATOM 1062 CA HIS A 66 14.651 -2.919 15.611 1.00 61.41 C ATOM 1063 C HIS A 66 14.704 -2.320 14.209 1.00 42.21 C ATOM 1064 O HIS A 66 15.748 -1.838 13.768 1.00 72.44 O ATOM 1065 CB HIS A 66 14.827 -4.436 15.536 1.00 25.34 C ATOM 1066 CG HIS A 66 16.248 -4.865 15.333 1.00 40.13 C ATOM 1067 ND1 HIS A 66 17.208 -4.782 16.319 1.00 10.21 N ATOM 1068 CD2 HIS A 66 16.869 -5.384 14.248 1.00 22.20 C ATOM 1069 CE1 HIS A 66 18.359 -5.230 15.849 1.00 14.15 C ATOM 1070 NE2 HIS A 66 18.180 -5.602 14.595 1.00 70.12 N ATOM 0 H HIS A 66 12.790 -3.388 16.455 1.00 22.54 H new ATOM 0 HA HIS A 66 15.464 -2.495 16.200 1.00 61.41 H new ATOM 0 HB2 HIS A 66 14.449 -4.883 16.455 1.00 25.34 H new ATOM 0 HB3 HIS A 66 14.219 -4.824 14.719 1.00 25.34 H new ATOM 0 HD2 HIS A 66 16.418 -5.589 13.288 1.00 22.20 H new ATOM 0 HE1 HIS A 66 19.288 -5.283 16.397 1.00 14.15 H new ATOM 0 HE2 HIS A 66 18.899 -5.989 13.983 1.00 70.12 H new ATOM 1078 N VAL A 67 13.572 -2.353 13.513 1.00 61.11 N ATOM 1079 CA VAL A 67 13.490 -1.813 12.161 1.00 14.12 C ATOM 1080 C VAL A 67 13.730 -0.307 12.155 1.00 22.54 C ATOM 1081 O VAL A 67 14.527 0.202 11.367 1.00 74.12 O ATOM 1082 CB VAL A 67 12.119 -2.105 11.523 1.00 73.02 C ATOM 1083 CG1 VAL A 67 12.064 -1.561 10.103 1.00 33.13 C ATOM 1084 CG2 VAL A 67 11.830 -3.598 11.542 1.00 70.53 C ATOM 0 H VAL A 67 12.699 -2.748 13.863 1.00 61.11 H new ATOM 0 HA VAL A 67 14.267 -2.304 11.576 1.00 14.12 H new ATOM 0 HB VAL A 67 11.350 -1.602 12.109 1.00 73.02 H new ATOM 0 HG11 VAL A 67 11.088 -1.777 9.668 1.00 33.13 H new ATOM 0 HG12 VAL A 67 12.223 -0.483 10.120 1.00 33.13 H new ATOM 0 HG13 VAL A 67 12.841 -2.033 9.502 1.00 33.13 H new ATOM 0 HG21 VAL A 67 10.857 -3.786 11.087 1.00 70.53 H new ATOM 0 HG22 VAL A 67 12.601 -4.125 10.980 1.00 70.53 H new ATOM 0 HG23 VAL A 67 11.824 -3.954 12.572 1.00 70.53 H new ATOM 1094 N VAL A 68 13.037 0.401 13.041 1.00 35.41 N ATOM 1095 CA VAL A 68 13.176 1.849 13.140 1.00 74.42 C ATOM 1096 C VAL A 68 14.597 2.239 13.528 1.00 64.04 C ATOM 1097 O VAL A 68 15.183 3.148 12.941 1.00 41.24 O ATOM 1098 CB VAL A 68 12.194 2.438 14.170 1.00 21.23 C ATOM 1099 CG1 VAL A 68 12.417 3.934 14.326 1.00 42.34 C ATOM 1100 CG2 VAL A 68 10.757 2.144 13.766 1.00 64.32 C ATOM 0 H VAL A 68 12.373 -0.005 13.701 1.00 35.41 H new ATOM 0 HA VAL A 68 12.946 2.257 12.156 1.00 74.42 H new ATOM 0 HB VAL A 68 12.380 1.965 15.134 1.00 21.23 H new ATOM 0 HG11 VAL A 68 11.714 4.332 15.058 1.00 42.34 H new ATOM 0 HG12 VAL A 68 13.437 4.116 14.666 1.00 42.34 H new ATOM 0 HG13 VAL A 68 12.260 4.427 13.367 1.00 42.34 H new ATOM 0 HG21 VAL A 68 10.077 2.568 14.505 1.00 64.32 H new ATOM 0 HG22 VAL A 68 10.555 2.588 12.791 1.00 64.32 H new ATOM 0 HG23 VAL A 68 10.608 1.066 13.712 1.00 64.32 H new ATOM 1110 N GLN A 69 15.146 1.545 14.519 1.00 22.13 N ATOM 1111 CA GLN A 69 16.500 1.820 14.985 1.00 21.35 C ATOM 1112 C GLN A 69 17.493 1.778 13.829 1.00 41.03 C ATOM 1113 O GLN A 69 18.380 2.626 13.730 1.00 73.35 O ATOM 1114 CB GLN A 69 16.907 0.809 16.059 1.00 3.23 C ATOM 1115 CG GLN A 69 16.523 1.231 17.468 1.00 32.34 C ATOM 1116 CD GLN A 69 17.104 0.318 18.530 1.00 63.33 C ATOM 1117 OE1 GLN A 69 18.225 -0.174 18.396 1.00 43.12 O ATOM 1118 NE2 GLN A 69 16.343 0.086 19.593 1.00 25.20 N ATOM 0 H GLN A 69 14.675 0.788 15.015 1.00 22.13 H new ATOM 0 HA GLN A 69 16.513 2.822 15.414 1.00 21.35 H new ATOM 0 HB2 GLN A 69 16.442 -0.152 15.837 1.00 3.23 H new ATOM 0 HB3 GLN A 69 17.986 0.659 16.015 1.00 3.23 H new ATOM 0 HG2 GLN A 69 16.866 2.251 17.644 1.00 32.34 H new ATOM 0 HG3 GLN A 69 15.437 1.240 17.557 1.00 32.34 H new ATOM 0 HE21 GLN A 69 15.420 0.515 19.663 1.00 25.20 H new ATOM 0 HE22 GLN A 69 16.681 -0.521 20.340 1.00 25.20 H new ATOM 1127 N GLN A 70 17.338 0.787 12.957 1.00 33.42 N ATOM 1128 CA GLN A 70 18.222 0.635 11.808 1.00 60.31 C ATOM 1129 C GLN A 70 18.002 1.758 10.800 1.00 70.54 C ATOM 1130 O GLN A 70 18.926 2.161 10.094 1.00 10.54 O ATOM 1131 CB GLN A 70 17.993 -0.721 11.137 1.00 24.04 C ATOM 1132 CG GLN A 70 18.608 -1.886 11.896 1.00 60.31 C ATOM 1133 CD GLN A 70 20.100 -2.015 11.659 1.00 72.12 C ATOM 1134 OE1 GLN A 70 20.910 -1.583 12.479 1.00 21.12 O ATOM 1135 NE2 GLN A 70 20.471 -2.612 10.532 1.00 1.22 N ATOM 0 H GLN A 70 16.608 0.077 13.025 1.00 33.42 H new ATOM 0 HA GLN A 70 19.251 0.687 12.164 1.00 60.31 H new ATOM 0 HB2 GLN A 70 16.921 -0.890 11.034 1.00 24.04 H new ATOM 0 HB3 GLN A 70 18.409 -0.694 10.130 1.00 24.04 H new ATOM 0 HG2 GLN A 70 18.423 -1.758 12.963 1.00 60.31 H new ATOM 0 HG3 GLN A 70 18.115 -2.811 11.596 1.00 60.31 H new ATOM 0 HE21 GLN A 70 19.765 -2.955 9.880 1.00 1.22 H new ATOM 0 HE22 GLN A 70 21.462 -2.727 10.318 1.00 1.22 H new ATOM 1144 N ALA A 71 16.772 2.257 10.737 1.00 40.12 N ATOM 1145 CA ALA A 71 16.431 3.334 9.816 1.00 42.40 C ATOM 1146 C ALA A 71 17.398 4.505 9.959 1.00 71.04 C ATOM 1147 O ALA A 71 17.794 5.121 8.969 1.00 53.21 O ATOM 1148 CB ALA A 71 15.001 3.797 10.051 1.00 31.11 C ATOM 0 H ALA A 71 15.995 1.933 11.313 1.00 40.12 H new ATOM 0 HA ALA A 71 16.514 2.949 8.800 1.00 42.40 H new ATOM 0 HB1 ALA A 71 14.760 4.602 9.356 1.00 31.11 H new ATOM 0 HB2 ALA A 71 14.318 2.963 9.891 1.00 31.11 H new ATOM 0 HB3 ALA A 71 14.899 4.159 11.074 1.00 31.11 H new ATOM 1154 N LYS A 72 17.775 4.808 11.196 1.00 34.33 N ATOM 1155 CA LYS A 72 18.696 5.904 11.470 1.00 52.44 C ATOM 1156 C LYS A 72 19.988 5.740 10.676 1.00 52.44 C ATOM 1157 O LYS A 72 20.644 6.722 10.329 1.00 32.24 O ATOM 1158 CB LYS A 72 19.009 5.973 12.966 1.00 44.41 C ATOM 1159 CG LYS A 72 17.985 6.759 13.766 1.00 5.34 C ATOM 1160 CD LYS A 72 18.580 7.297 15.057 1.00 21.12 C ATOM 1161 CE LYS A 72 19.138 8.700 14.872 1.00 31.22 C ATOM 1162 NZ LYS A 72 20.535 8.678 14.358 1.00 24.35 N ATOM 0 H LYS A 72 17.456 4.309 12.026 1.00 34.33 H new ATOM 0 HA LYS A 72 18.217 6.834 11.163 1.00 52.44 H new ATOM 0 HB2 LYS A 72 19.068 4.960 13.363 1.00 44.41 H new ATOM 0 HB3 LYS A 72 19.991 6.427 13.103 1.00 44.41 H new ATOM 0 HG2 LYS A 72 17.610 7.587 13.165 1.00 5.34 H new ATOM 0 HG3 LYS A 72 17.133 6.120 13.996 1.00 5.34 H new ATOM 0 HD2 LYS A 72 17.816 7.308 15.834 1.00 21.12 H new ATOM 0 HD3 LYS A 72 19.373 6.631 15.399 1.00 21.12 H new ATOM 0 HE2 LYS A 72 18.505 9.254 14.179 1.00 31.22 H new ATOM 0 HE3 LYS A 72 19.110 9.231 15.824 1.00 31.22 H new ATOM 0 HZ1 LYS A 72 20.994 9.589 14.560 1.00 24.35 H new ATOM 0 HZ2 LYS A 72 21.064 7.913 14.824 1.00 24.35 H new ATOM 0 HZ3 LYS A 72 20.524 8.516 13.331 1.00 24.35 H new ATOM 1176 N GLY A 73 20.347 4.493 10.389 1.00 71.40 N ATOM 1177 CA GLY A 73 21.558 4.224 9.637 1.00 63.54 C ATOM 1178 C GLY A 73 21.397 4.509 8.157 1.00 42.43 C ATOM 1179 O GLY A 73 22.381 4.726 7.450 1.00 40.01 O ATOM 0 H GLY A 73 19.820 3.664 10.664 1.00 71.40 H new ATOM 0 HA2 GLY A 73 22.371 4.831 10.034 1.00 63.54 H new ATOM 0 HA3 GLY A 73 21.843 3.181 9.774 1.00 63.54 H new ATOM 1183 N GLN A 74 20.154 4.508 7.687 1.00 13.23 N ATOM 1184 CA GLN A 74 19.868 4.767 6.281 1.00 4.10 C ATOM 1185 C GLN A 74 19.302 6.170 6.090 1.00 42.32 C ATOM 1186 O GLN A 74 18.699 6.473 5.060 1.00 11.11 O ATOM 1187 CB GLN A 74 18.884 3.729 5.739 1.00 63.00 C ATOM 1188 CG GLN A 74 19.205 2.306 6.166 1.00 33.32 C ATOM 1189 CD GLN A 74 20.686 1.994 6.092 1.00 24.23 C ATOM 1190 OE1 GLN A 74 21.378 2.423 5.168 1.00 13.33 O ATOM 1191 NE2 GLN A 74 21.183 1.242 7.068 1.00 11.53 N ATOM 0 H GLN A 74 19.329 4.331 8.259 1.00 13.23 H new ATOM 0 HA GLN A 74 20.804 4.694 5.727 1.00 4.10 H new ATOM 0 HB2 GLN A 74 17.879 3.983 6.076 1.00 63.00 H new ATOM 0 HB3 GLN A 74 18.878 3.780 4.650 1.00 63.00 H new ATOM 0 HG2 GLN A 74 18.855 2.149 7.186 1.00 33.32 H new ATOM 0 HG3 GLN A 74 18.659 1.608 5.531 1.00 33.32 H new ATOM 0 HE21 GLN A 74 20.574 0.908 7.815 1.00 11.53 H new ATOM 0 HE22 GLN A 74 22.174 0.999 7.071 1.00 11.53 H new ATOM 1200 N LYS A 75 19.500 7.024 7.089 1.00 61.14 N ATOM 1201 CA LYS A 75 19.011 8.396 7.031 1.00 15.13 C ATOM 1202 C LYS A 75 17.521 8.429 6.704 1.00 41.21 C ATOM 1203 O LYS A 75 17.105 9.051 5.726 1.00 11.31 O ATOM 1204 CB LYS A 75 19.791 9.195 5.985 1.00 24.30 C ATOM 1205 CG LYS A 75 21.296 9.012 6.079 1.00 3.22 C ATOM 1206 CD LYS A 75 21.843 9.556 7.388 1.00 2.23 C ATOM 1207 CE LYS A 75 22.077 11.057 7.314 1.00 51.33 C ATOM 1208 NZ LYS A 75 20.875 11.828 7.738 1.00 60.44 N ATOM 0 H LYS A 75 19.996 6.789 7.949 1.00 61.14 H new ATOM 0 HA LYS A 75 19.161 8.850 8.011 1.00 15.13 H new ATOM 0 HB2 LYS A 75 19.459 8.898 4.990 1.00 24.30 H new ATOM 0 HB3 LYS A 75 19.554 10.253 6.097 1.00 24.30 H new ATOM 0 HG2 LYS A 75 21.541 7.953 5.993 1.00 3.22 H new ATOM 0 HG3 LYS A 75 21.778 9.519 5.243 1.00 3.22 H new ATOM 0 HD2 LYS A 75 21.145 9.335 8.195 1.00 2.23 H new ATOM 0 HD3 LYS A 75 22.779 9.052 7.630 1.00 2.23 H new ATOM 0 HE2 LYS A 75 22.922 11.324 7.948 1.00 51.33 H new ATOM 0 HE3 LYS A 75 22.344 11.333 6.294 1.00 51.33 H new ATOM 0 HZ1 LYS A 75 20.565 12.444 6.959 1.00 60.44 H new ATOM 0 HZ2 LYS A 75 20.109 11.169 7.984 1.00 60.44 H new ATOM 0 HZ3 LYS A 75 21.111 12.410 8.567 1.00 60.44 H new ATOM 1222 N ILE A 76 16.724 7.758 7.528 1.00 72.31 N ATOM 1223 CA ILE A 76 15.281 7.713 7.326 1.00 11.24 C ATOM 1224 C ILE A 76 14.541 8.313 8.517 1.00 11.02 C ATOM 1225 O ILE A 76 14.827 7.983 9.669 1.00 53.04 O ATOM 1226 CB ILE A 76 14.788 6.271 7.103 1.00 12.42 C ATOM 1227 CG1 ILE A 76 15.682 5.555 6.090 1.00 62.53 C ATOM 1228 CG2 ILE A 76 13.341 6.273 6.633 1.00 50.21 C ATOM 1229 CD1 ILE A 76 15.271 4.123 5.828 1.00 62.45 C ATOM 0 H ILE A 76 17.053 7.238 8.342 1.00 72.31 H new ATOM 0 HA ILE A 76 15.068 8.302 6.434 1.00 11.24 H new ATOM 0 HB ILE A 76 14.841 5.733 8.050 1.00 12.42 H new ATOM 0 HG12 ILE A 76 15.667 6.107 5.150 1.00 62.53 H new ATOM 0 HG13 ILE A 76 16.710 5.569 6.451 1.00 62.53 H new ATOM 0 HG21 ILE A 76 13.007 5.247 6.480 1.00 50.21 H new ATOM 0 HG22 ILE A 76 12.714 6.750 7.387 1.00 50.21 H new ATOM 0 HG23 ILE A 76 13.264 6.824 5.695 1.00 50.21 H new ATOM 0 HD11 ILE A 76 15.949 3.677 5.100 1.00 62.45 H new ATOM 0 HD12 ILE A 76 15.314 3.556 6.758 1.00 62.45 H new ATOM 0 HD13 ILE A 76 14.254 4.102 5.437 1.00 62.45 H new ATOM 1241 N ILE A 77 13.588 9.194 8.232 1.00 71.11 N ATOM 1242 CA ILE A 77 12.805 9.837 9.279 1.00 14.33 C ATOM 1243 C ILE A 77 11.331 9.458 9.175 1.00 3.24 C ATOM 1244 O ILE A 77 10.583 9.566 10.146 1.00 1.44 O ATOM 1245 CB ILE A 77 12.934 11.371 9.218 1.00 61.34 C ATOM 1246 CG1 ILE A 77 14.408 11.781 9.234 1.00 21.02 C ATOM 1247 CG2 ILE A 77 12.187 12.012 10.377 1.00 0.42 C ATOM 1248 CD1 ILE A 77 15.127 11.399 10.509 1.00 2.30 C ATOM 0 H ILE A 77 13.340 9.479 7.284 1.00 71.11 H new ATOM 0 HA ILE A 77 13.202 9.485 10.231 1.00 14.33 H new ATOM 0 HB ILE A 77 12.489 11.722 8.287 1.00 61.34 H new ATOM 0 HG12 ILE A 77 14.915 11.318 8.388 1.00 21.02 H new ATOM 0 HG13 ILE A 77 14.478 12.860 9.096 1.00 21.02 H new ATOM 0 HG21 ILE A 77 12.288 13.096 10.320 1.00 0.42 H new ATOM 0 HG22 ILE A 77 11.132 11.742 10.324 1.00 0.42 H new ATOM 0 HG23 ILE A 77 12.605 11.658 11.319 1.00 0.42 H new ATOM 0 HD11 ILE A 77 16.167 11.720 10.451 1.00 2.30 H new ATOM 0 HD12 ILE A 77 14.645 11.884 11.358 1.00 2.30 H new ATOM 0 HD13 ILE A 77 15.088 10.317 10.639 1.00 2.30 H new ATOM 1260 N GLN A 78 10.923 9.012 7.992 1.00 52.11 N ATOM 1261 CA GLN A 78 9.539 8.616 7.762 1.00 74.52 C ATOM 1262 C GLN A 78 9.151 7.446 8.660 1.00 30.32 C ATOM 1263 O GLN A 78 8.002 7.332 9.088 1.00 40.01 O ATOM 1264 CB GLN A 78 9.331 8.237 6.294 1.00 5.42 C ATOM 1265 CG GLN A 78 9.941 9.230 5.318 1.00 4.41 C ATOM 1266 CD GLN A 78 8.994 9.600 4.193 1.00 25.14 C ATOM 1267 OE1 GLN A 78 8.648 8.764 3.359 1.00 74.24 O ATOM 1268 NE2 GLN A 78 8.570 10.858 4.165 1.00 23.14 N ATOM 0 H GLN A 78 11.531 8.916 7.178 1.00 52.11 H new ATOM 0 HA GLN A 78 8.900 9.465 8.005 1.00 74.52 H new ATOM 0 HB2 GLN A 78 9.764 7.253 6.116 1.00 5.42 H new ATOM 0 HB3 GLN A 78 8.262 8.155 6.096 1.00 5.42 H new ATOM 0 HG2 GLN A 78 10.229 10.133 5.857 1.00 4.41 H new ATOM 0 HG3 GLN A 78 10.852 8.806 4.896 1.00 4.41 H new ATOM 0 HE21 GLN A 78 8.883 11.518 4.877 1.00 23.14 H new ATOM 0 HE22 GLN A 78 7.931 11.165 3.431 1.00 23.14 H new ATOM 1277 N PHE A 79 10.117 6.578 8.943 1.00 73.55 N ATOM 1278 CA PHE A 79 9.876 5.415 9.789 1.00 21.13 C ATOM 1279 C PHE A 79 9.637 5.836 11.236 1.00 14.12 C ATOM 1280 O PHE A 79 8.663 5.418 11.862 1.00 72.35 O ATOM 1281 CB PHE A 79 11.062 4.450 9.717 1.00 53.44 C ATOM 1282 CG PHE A 79 10.819 3.269 8.821 1.00 45.31 C ATOM 1283 CD1 PHE A 79 9.712 2.457 9.007 1.00 3.33 C ATOM 1284 CD2 PHE A 79 11.699 2.971 7.792 1.00 14.32 C ATOM 1285 CE1 PHE A 79 9.488 1.369 8.185 1.00 53.40 C ATOM 1286 CE2 PHE A 79 11.479 1.885 6.966 1.00 31.13 C ATOM 1287 CZ PHE A 79 10.371 1.084 7.163 1.00 63.45 C ATOM 0 H PHE A 79 11.074 6.658 8.599 1.00 73.55 H new ATOM 0 HA PHE A 79 8.982 4.910 9.423 1.00 21.13 H new ATOM 0 HB2 PHE A 79 11.939 4.991 9.362 1.00 53.44 H new ATOM 0 HB3 PHE A 79 11.292 4.093 10.721 1.00 53.44 H new ATOM 0 HD1 PHE A 79 9.016 2.677 9.803 1.00 3.33 H new ATOM 0 HD2 PHE A 79 12.566 3.595 7.634 1.00 14.32 H new ATOM 0 HE1 PHE A 79 8.623 0.742 8.342 1.00 53.40 H new ATOM 0 HE2 PHE A 79 12.172 1.663 6.168 1.00 31.13 H new ATOM 0 HZ PHE A 79 10.196 0.236 6.518 1.00 63.45 H new ATOM 1297 N GLN A 80 10.533 6.666 11.761 1.00 54.04 N ATOM 1298 CA GLN A 80 10.420 7.143 13.134 1.00 74.21 C ATOM 1299 C GLN A 80 9.127 7.928 13.333 1.00 44.10 C ATOM 1300 O GLN A 80 8.480 7.824 14.375 1.00 22.50 O ATOM 1301 CB GLN A 80 11.622 8.017 13.493 1.00 2.21 C ATOM 1302 CG GLN A 80 12.957 7.408 13.096 1.00 3.33 C ATOM 1303 CD GLN A 80 14.134 8.103 13.753 1.00 32.45 C ATOM 1304 OE1 GLN A 80 15.029 7.320 14.344 1.00 11.44 O flip ATOM 1305 NE2 GLN A 80 14.237 9.329 13.731 1.00 64.44 N flip ATOM 0 H GLN A 80 11.345 7.022 11.256 1.00 54.04 H new ATOM 0 HA GLN A 80 10.401 6.275 13.793 1.00 74.21 H new ATOM 0 HB2 GLN A 80 11.515 8.986 13.005 1.00 2.21 H new ATOM 0 HB3 GLN A 80 11.620 8.199 14.568 1.00 2.21 H new ATOM 0 HG2 GLN A 80 12.966 6.352 13.367 1.00 3.33 H new ATOM 0 HG3 GLN A 80 13.068 7.460 12.013 1.00 3.33 H new ATOM 0 HE21 GLN A 80 13.526 9.892 13.265 1.00 64.44 H new ATOM 0 HE22 GLN A 80 15.034 9.782 14.179 1.00 64.44 H new ATOM 1314 N ASP A 81 8.758 8.714 12.328 1.00 41.22 N ATOM 1315 CA ASP A 81 7.542 9.517 12.392 1.00 4.10 C ATOM 1316 C ASP A 81 6.304 8.642 12.227 1.00 52.14 C ATOM 1317 O ASP A 81 5.337 8.769 12.978 1.00 24.44 O ATOM 1318 CB ASP A 81 7.564 10.601 11.313 1.00 1.12 C ATOM 1319 CG ASP A 81 6.539 11.689 11.565 1.00 1.32 C ATOM 1320 OD1 ASP A 81 6.830 12.605 12.363 1.00 14.14 O ATOM 1321 OD2 ASP A 81 5.447 11.626 10.964 1.00 71.24 O ATOM 0 H ASP A 81 9.283 8.813 11.459 1.00 41.22 H new ATOM 0 HA ASP A 81 7.501 9.992 13.372 1.00 4.10 H new ATOM 0 HB2 ASP A 81 8.558 11.046 11.269 1.00 1.12 H new ATOM 0 HB3 ASP A 81 7.375 10.146 10.341 1.00 1.12 H new ATOM 1326 N SER A 82 6.340 7.755 11.237 1.00 12.40 N ATOM 1327 CA SER A 82 5.218 6.863 10.970 1.00 63.54 C ATOM 1328 C SER A 82 4.947 5.958 12.168 1.00 73.34 C ATOM 1329 O SER A 82 3.814 5.855 12.638 1.00 33.04 O ATOM 1330 CB SER A 82 5.500 6.014 9.728 1.00 33.43 C ATOM 1331 OG SER A 82 6.640 5.195 9.918 1.00 23.44 O ATOM 0 H SER A 82 7.133 7.635 10.607 1.00 12.40 H new ATOM 0 HA SER A 82 4.333 7.474 10.791 1.00 63.54 H new ATOM 0 HB2 SER A 82 4.634 5.391 9.505 1.00 33.43 H new ATOM 0 HB3 SER A 82 5.655 6.664 8.867 1.00 33.43 H new ATOM 0 HG SER A 82 6.798 4.662 9.111 1.00 23.44 H new ATOM 1337 N PHE A 83 5.995 5.303 12.656 1.00 32.11 N ATOM 1338 CA PHE A 83 5.871 4.405 13.799 1.00 52.33 C ATOM 1339 C PHE A 83 5.708 5.194 15.095 1.00 73.13 C ATOM 1340 O PHE A 83 5.212 4.673 16.093 1.00 1.01 O ATOM 1341 CB PHE A 83 7.096 3.494 13.894 1.00 43.13 C ATOM 1342 CG PHE A 83 6.984 2.249 13.061 1.00 52.44 C ATOM 1343 CD1 PHE A 83 5.883 1.416 13.181 1.00 3.23 C ATOM 1344 CD2 PHE A 83 7.978 1.913 12.156 1.00 22.24 C ATOM 1345 CE1 PHE A 83 5.778 0.270 12.416 1.00 32.14 C ATOM 1346 CE2 PHE A 83 7.878 0.768 11.388 1.00 20.15 C ATOM 1347 CZ PHE A 83 6.776 -0.054 11.518 1.00 33.00 C ATOM 0 H PHE A 83 6.940 5.377 12.278 1.00 32.11 H new ATOM 0 HA PHE A 83 4.982 3.792 13.653 1.00 52.33 H new ATOM 0 HB2 PHE A 83 7.979 4.052 13.582 1.00 43.13 H new ATOM 0 HB3 PHE A 83 7.249 3.212 14.936 1.00 43.13 H new ATOM 0 HD1 PHE A 83 5.098 1.665 13.880 1.00 3.23 H new ATOM 0 HD2 PHE A 83 8.841 2.553 12.049 1.00 22.24 H new ATOM 0 HE1 PHE A 83 4.916 -0.372 12.520 1.00 32.14 H new ATOM 0 HE2 PHE A 83 8.661 0.517 10.687 1.00 20.15 H new ATOM 0 HZ PHE A 83 6.695 -0.949 10.919 1.00 33.00 H new ATOM 1357 N GLY A 84 6.130 6.455 15.071 1.00 75.34 N ATOM 1358 CA GLY A 84 6.023 7.295 16.249 1.00 52.33 C ATOM 1359 C GLY A 84 4.635 7.882 16.419 1.00 64.32 C ATOM 1360 O GLY A 84 4.160 8.056 17.541 1.00 74.20 O ATOM 0 H GLY A 84 6.544 6.909 14.257 1.00 75.34 H new ATOM 0 HA2 GLY A 84 6.277 6.710 17.133 1.00 52.33 H new ATOM 0 HA3 GLY A 84 6.750 8.104 16.182 1.00 52.33 H new ATOM 1364 N LYS A 85 3.984 8.189 15.302 1.00 12.24 N ATOM 1365 CA LYS A 85 2.643 8.760 15.331 1.00 15.12 C ATOM 1366 C LYS A 85 1.616 7.717 15.762 1.00 3.11 C ATOM 1367 O LYS A 85 0.465 8.046 16.047 1.00 34.51 O ATOM 1368 CB LYS A 85 2.273 9.316 13.954 1.00 11.22 C ATOM 1369 CG LYS A 85 2.210 8.257 12.867 1.00 33.05 C ATOM 1370 CD LYS A 85 1.345 8.706 11.701 1.00 24.41 C ATOM 1371 CE LYS A 85 1.897 9.965 11.051 1.00 53.30 C ATOM 1372 NZ LYS A 85 1.500 10.070 9.620 1.00 72.05 N ATOM 0 H LYS A 85 4.364 8.052 14.365 1.00 12.24 H new ATOM 0 HA LYS A 85 2.637 9.572 16.058 1.00 15.12 H new ATOM 0 HB2 LYS A 85 1.306 9.814 14.021 1.00 11.22 H new ATOM 0 HB3 LYS A 85 3.003 10.074 13.669 1.00 11.22 H new ATOM 0 HG2 LYS A 85 3.217 8.039 12.511 1.00 33.05 H new ATOM 0 HG3 LYS A 85 1.811 7.331 13.282 1.00 33.05 H new ATOM 0 HD2 LYS A 85 1.288 7.908 10.961 1.00 24.41 H new ATOM 0 HD3 LYS A 85 0.329 8.891 12.050 1.00 24.41 H new ATOM 0 HE2 LYS A 85 1.538 10.840 11.593 1.00 53.30 H new ATOM 0 HE3 LYS A 85 2.984 9.966 11.127 1.00 53.30 H new ATOM 0 HZ1 LYS A 85 1.896 10.941 9.213 1.00 72.05 H new ATOM 0 HZ2 LYS A 85 1.864 9.248 9.098 1.00 72.05 H new ATOM 0 HZ3 LYS A 85 0.463 10.095 9.548 1.00 72.05 H new ATOM 1386 N VAL A 86 2.042 6.459 15.809 1.00 60.31 N ATOM 1387 CA VAL A 86 1.161 5.368 16.208 1.00 73.22 C ATOM 1388 C VAL A 86 1.738 4.600 17.391 1.00 21.52 C ATOM 1389 O VAL A 86 1.102 3.691 17.925 1.00 51.24 O ATOM 1390 CB VAL A 86 0.917 4.389 15.044 1.00 60.11 C ATOM 1391 CG1 VAL A 86 0.363 5.125 13.834 1.00 55.21 C ATOM 1392 CG2 VAL A 86 2.201 3.654 14.689 1.00 73.11 C ATOM 0 H VAL A 86 2.992 6.170 15.576 1.00 60.31 H new ATOM 0 HA VAL A 86 0.212 5.818 16.499 1.00 73.22 H new ATOM 0 HB VAL A 86 0.179 3.652 15.360 1.00 60.11 H new ATOM 0 HG11 VAL A 86 0.197 4.417 13.022 1.00 55.21 H new ATOM 0 HG12 VAL A 86 -0.581 5.601 14.099 1.00 55.21 H new ATOM 0 HG13 VAL A 86 1.075 5.885 13.513 1.00 55.21 H new ATOM 0 HG21 VAL A 86 2.011 2.966 13.865 1.00 73.11 H new ATOM 0 HG22 VAL A 86 2.963 4.375 14.392 1.00 73.11 H new ATOM 0 HG23 VAL A 86 2.551 3.093 15.556 1.00 73.11 H new ATOM 1402 N ALA A 87 2.948 4.971 17.797 1.00 31.12 N ATOM 1403 CA ALA A 87 3.611 4.318 18.920 1.00 53.45 C ATOM 1404 C ALA A 87 2.912 4.645 20.235 1.00 74.41 C ATOM 1405 O ALA A 87 2.472 3.748 20.954 1.00 24.03 O ATOM 1406 CB ALA A 87 5.074 4.731 18.981 1.00 51.03 C ATOM 0 H ALA A 87 3.489 5.720 17.365 1.00 31.12 H new ATOM 0 HA ALA A 87 3.555 3.240 18.767 1.00 53.45 H new ATOM 0 HB1 ALA A 87 5.557 4.236 19.824 1.00 51.03 H new ATOM 0 HB2 ALA A 87 5.573 4.441 18.056 1.00 51.03 H new ATOM 0 HB3 ALA A 87 5.142 5.812 19.107 1.00 51.03 H new ATOM 1412 N ALA A 88 2.813 5.934 20.543 1.00 32.44 N ATOM 1413 CA ALA A 88 2.166 6.378 21.772 1.00 70.42 C ATOM 1414 C ALA A 88 0.768 5.783 21.902 1.00 30.32 C ATOM 1415 O ALA A 88 0.283 5.552 23.009 1.00 22.43 O ATOM 1416 CB ALA A 88 2.101 7.897 21.815 1.00 41.24 C ATOM 0 H ALA A 88 3.172 6.689 19.959 1.00 32.44 H new ATOM 0 HA ALA A 88 2.762 6.027 22.614 1.00 70.42 H new ATOM 0 HB1 ALA A 88 1.616 8.214 22.738 1.00 41.24 H new ATOM 0 HB2 ALA A 88 3.111 8.306 21.777 1.00 41.24 H new ATOM 0 HB3 ALA A 88 1.530 8.261 20.961 1.00 41.24 H new ATOM 1422 N GLU A 89 0.125 5.538 20.764 1.00 24.04 N ATOM 1423 CA GLU A 89 -1.218 4.971 20.753 1.00 11.32 C ATOM 1424 C GLU A 89 -1.184 3.483 21.091 1.00 42.52 C ATOM 1425 O GLU A 89 -1.812 3.039 22.051 1.00 31.44 O ATOM 1426 CB GLU A 89 -1.872 5.180 19.386 1.00 15.30 C ATOM 1427 CG GLU A 89 -3.391 5.189 19.433 1.00 32.40 C ATOM 1428 CD GLU A 89 -3.943 6.341 20.250 1.00 73.23 C ATOM 1429 OE1 GLU A 89 -3.732 7.505 19.850 1.00 1.13 O ATOM 1430 OE2 GLU A 89 -4.586 6.079 21.288 1.00 70.34 O ATOM 0 H GLU A 89 0.513 5.723 19.839 1.00 24.04 H new ATOM 0 HA GLU A 89 -1.808 5.484 21.512 1.00 11.32 H new ATOM 0 HB2 GLU A 89 -1.524 6.124 18.967 1.00 15.30 H new ATOM 0 HB3 GLU A 89 -1.542 4.391 18.710 1.00 15.30 H new ATOM 0 HG2 GLU A 89 -3.782 5.249 18.417 1.00 32.40 H new ATOM 0 HG3 GLU A 89 -3.743 4.248 19.855 1.00 32.40 H new ATOM 1437 N VAL A 90 -0.445 2.718 20.293 1.00 54.51 N ATOM 1438 CA VAL A 90 -0.328 1.281 20.506 1.00 21.01 C ATOM 1439 C VAL A 90 0.264 0.975 21.877 1.00 3.43 C ATOM 1440 O VAL A 90 -0.343 0.271 22.685 1.00 1.01 O ATOM 1441 CB VAL A 90 0.547 0.623 19.423 1.00 61.51 C ATOM 1442 CG1 VAL A 90 0.679 -0.871 19.678 1.00 20.20 C ATOM 1443 CG2 VAL A 90 -0.029 0.887 18.040 1.00 20.20 C ATOM 0 H VAL A 90 0.081 3.070 19.493 1.00 54.51 H new ATOM 0 HA VAL A 90 -1.336 0.869 20.449 1.00 21.01 H new ATOM 0 HB VAL A 90 1.543 1.064 19.467 1.00 61.51 H new ATOM 0 HG11 VAL A 90 1.301 -1.319 18.903 1.00 20.20 H new ATOM 0 HG12 VAL A 90 1.140 -1.035 20.652 1.00 20.20 H new ATOM 0 HG13 VAL A 90 -0.309 -1.331 19.662 1.00 20.20 H new ATOM 0 HG21 VAL A 90 0.602 0.415 17.287 1.00 20.20 H new ATOM 0 HG22 VAL A 90 -1.036 0.474 17.980 1.00 20.20 H new ATOM 0 HG23 VAL A 90 -0.066 1.961 17.860 1.00 20.20 H new ATOM 1453 N LEU A 91 1.453 1.510 22.135 1.00 71.24 N ATOM 1454 CA LEU A 91 2.129 1.295 23.410 1.00 55.24 C ATOM 1455 C LEU A 91 1.198 1.605 24.578 1.00 70.12 C ATOM 1456 O LEU A 91 1.193 0.898 25.585 1.00 51.31 O ATOM 1457 CB LEU A 91 3.383 2.166 23.497 1.00 21.13 C ATOM 1458 CG LEU A 91 4.641 1.598 22.840 1.00 45.22 C ATOM 1459 CD1 LEU A 91 4.374 1.257 21.382 1.00 24.52 C ATOM 1460 CD2 LEU A 91 5.795 2.584 22.956 1.00 51.12 C ATOM 0 H LEU A 91 1.969 2.096 21.478 1.00 71.24 H new ATOM 0 HA LEU A 91 2.418 0.246 23.469 1.00 55.24 H new ATOM 0 HB2 LEU A 91 3.163 3.131 23.041 1.00 21.13 H new ATOM 0 HB3 LEU A 91 3.599 2.353 24.549 1.00 21.13 H new ATOM 0 HG LEU A 91 4.918 0.682 23.362 1.00 45.22 H new ATOM 0 HD11 LEU A 91 5.281 0.854 20.931 1.00 24.52 H new ATOM 0 HD12 LEU A 91 3.578 0.515 21.322 1.00 24.52 H new ATOM 0 HD13 LEU A 91 4.072 2.157 20.847 1.00 24.52 H new ATOM 0 HD21 LEU A 91 6.682 2.163 22.483 1.00 51.12 H new ATOM 0 HD22 LEU A 91 5.528 3.517 22.460 1.00 51.12 H new ATOM 0 HD23 LEU A 91 6.003 2.779 24.008 1.00 51.12 H new ATOM 1472 N GLY A 92 0.409 2.666 24.435 1.00 63.23 N ATOM 1473 CA GLY A 92 -0.516 3.049 25.485 1.00 52.24 C ATOM 1474 C GLY A 92 -1.640 2.047 25.661 1.00 2.24 C ATOM 1475 O GLY A 92 -2.143 1.858 26.769 1.00 55.32 O ATOM 0 H GLY A 92 0.394 3.267 23.611 1.00 63.23 H new ATOM 0 HA2 GLY A 92 0.027 3.150 26.425 1.00 52.24 H new ATOM 0 HA3 GLY A 92 -0.938 4.027 25.254 1.00 52.24 H new ATOM 1479 N ARG A 93 -2.035 1.404 24.567 1.00 2.34 N ATOM 1480 CA ARG A 93 -3.108 0.419 24.606 1.00 32.51 C ATOM 1481 C ARG A 93 -2.594 -0.926 25.113 1.00 2.43 C ATOM 1482 O ARG A 93 -3.125 -1.482 26.075 1.00 0.51 O ATOM 1483 CB ARG A 93 -3.724 0.249 23.216 1.00 15.32 C ATOM 1484 CG ARG A 93 -4.871 1.208 22.937 1.00 24.13 C ATOM 1485 CD ARG A 93 -6.212 0.594 23.306 1.00 53.33 C ATOM 1486 NE ARG A 93 -7.242 1.610 23.506 1.00 12.23 N ATOM 1487 CZ ARG A 93 -8.523 1.327 23.714 1.00 32.11 C ATOM 1488 NH1 ARG A 93 -8.929 0.065 23.749 1.00 55.32 N ATOM 1489 NH2 ARG A 93 -9.401 2.307 23.888 1.00 22.21 N ATOM 0 H ARG A 93 -1.628 1.548 23.643 1.00 2.34 H new ATOM 0 HA ARG A 93 -3.873 0.780 25.294 1.00 32.51 H new ATOM 0 HB2 ARG A 93 -2.949 0.395 22.464 1.00 15.32 H new ATOM 0 HB3 ARG A 93 -4.083 -0.775 23.110 1.00 15.32 H new ATOM 0 HG2 ARG A 93 -4.723 2.128 23.502 1.00 24.13 H new ATOM 0 HG3 ARG A 93 -4.872 1.479 21.881 1.00 24.13 H new ATOM 0 HD2 ARG A 93 -6.526 -0.091 22.518 1.00 53.33 H new ATOM 0 HD3 ARG A 93 -6.103 0.004 24.216 1.00 53.33 H new ATOM 0 HE ARG A 93 -6.962 2.591 23.485 1.00 12.23 H new ATOM 0 HH11 ARG A 93 -8.257 -0.691 23.616 1.00 55.32 H new ATOM 0 HH12 ARG A 93 -9.913 -0.150 23.909 1.00 55.32 H new ATOM 0 HH21 ARG A 93 -9.092 3.279 23.862 1.00 22.21 H new ATOM 0 HH22 ARG A 93 -10.384 2.088 24.048 1.00 22.21 H new ATOM 1503 N ILE A 94 -1.558 -1.442 24.460 1.00 54.41 N ATOM 1504 CA ILE A 94 -0.973 -2.720 24.845 1.00 4.51 C ATOM 1505 C ILE A 94 -0.499 -2.692 26.294 1.00 24.53 C ATOM 1506 O ILE A 94 -0.513 -3.713 26.982 1.00 53.53 O ATOM 1507 CB ILE A 94 0.213 -3.092 23.936 1.00 63.21 C ATOM 1508 CG1 ILE A 94 1.367 -2.108 24.137 1.00 4.10 C ATOM 1509 CG2 ILE A 94 -0.223 -3.114 22.479 1.00 72.44 C ATOM 1510 CD1 ILE A 94 2.577 -2.412 23.281 1.00 53.44 C ATOM 0 H ILE A 94 -1.107 -0.995 23.662 1.00 54.41 H new ATOM 0 HA ILE A 94 -1.755 -3.472 24.735 1.00 4.51 H new ATOM 0 HB ILE A 94 0.560 -4.089 24.207 1.00 63.21 H new ATOM 0 HG12 ILE A 94 1.018 -1.100 23.913 1.00 4.10 H new ATOM 0 HG13 ILE A 94 1.663 -2.117 25.186 1.00 4.10 H new ATOM 0 HG21 ILE A 94 0.626 -3.378 21.849 1.00 72.44 H new ATOM 0 HG22 ILE A 94 -1.016 -3.851 22.347 1.00 72.44 H new ATOM 0 HG23 ILE A 94 -0.593 -2.129 22.195 1.00 72.44 H new ATOM 0 HD11 ILE A 94 3.355 -1.674 23.476 1.00 53.44 H new ATOM 0 HD12 ILE A 94 2.952 -3.407 23.521 1.00 53.44 H new ATOM 0 HD13 ILE A 94 2.297 -2.374 22.228 1.00 53.44 H new ATOM 1522 N ASN A 95 -0.080 -1.517 26.752 1.00 32.14 N ATOM 1523 CA ASN A 95 0.397 -1.356 28.121 1.00 22.31 C ATOM 1524 C ASN A 95 -0.709 -1.670 29.124 1.00 72.45 C ATOM 1525 O ASN A 95 -0.453 -2.226 30.191 1.00 4.33 O ATOM 1526 CB ASN A 95 0.910 0.068 28.340 1.00 11.53 C ATOM 1527 CG ASN A 95 1.243 0.346 29.794 1.00 73.03 C ATOM 1528 OD1 ASN A 95 2.394 0.226 30.212 1.00 21.33 O ATOM 1529 ND2 ASN A 95 0.233 0.719 30.571 1.00 54.32 N ATOM 0 H ASN A 95 -0.061 -0.662 26.196 1.00 32.14 H new ATOM 0 HA ASN A 95 1.215 -2.058 28.279 1.00 22.31 H new ATOM 0 HB2 ASN A 95 1.799 0.229 27.729 1.00 11.53 H new ATOM 0 HB3 ASN A 95 0.157 0.779 28.000 1.00 11.53 H new ATOM 0 HD21 ASN A 95 0.396 0.919 31.558 1.00 54.32 H new ATOM 0 HD22 ASN A 95 -0.706 0.805 30.181 1.00 54.32 H new ATOM 1536 N GLN A 96 -1.939 -1.311 28.771 1.00 73.54 N ATOM 1537 CA GLN A 96 -3.085 -1.555 29.640 1.00 64.14 C ATOM 1538 C GLN A 96 -3.477 -3.029 29.622 1.00 14.31 C ATOM 1539 O GLN A 96 -3.715 -3.629 30.669 1.00 23.45 O ATOM 1540 CB GLN A 96 -4.272 -0.693 29.207 1.00 31.42 C ATOM 1541 CG GLN A 96 -3.972 0.797 29.199 1.00 25.31 C ATOM 1542 CD GLN A 96 -5.050 1.606 28.506 1.00 32.05 C ATOM 1543 OE1 GLN A 96 -6.237 1.292 28.603 1.00 22.53 O ATOM 1544 NE2 GLN A 96 -4.643 2.656 27.802 1.00 30.53 N ATOM 0 H GLN A 96 -2.168 -0.851 27.890 1.00 73.54 H new ATOM 0 HA GLN A 96 -2.802 -1.286 30.658 1.00 64.14 H new ATOM 0 HB2 GLN A 96 -4.586 -0.997 28.208 1.00 31.42 H new ATOM 0 HB3 GLN A 96 -5.111 -0.882 29.876 1.00 31.42 H new ATOM 0 HG2 GLN A 96 -3.864 1.147 30.225 1.00 25.31 H new ATOM 0 HG3 GLN A 96 -3.018 0.969 28.701 1.00 25.31 H new ATOM 0 HE21 GLN A 96 -3.649 2.880 27.748 1.00 30.53 H new ATOM 0 HE22 GLN A 96 -5.324 3.238 27.315 1.00 30.53 H new ATOM 1553 N GLU A 97 -3.544 -3.604 28.426 1.00 72.24 N ATOM 1554 CA GLU A 97 -3.910 -5.008 28.273 1.00 3.40 C ATOM 1555 C GLU A 97 -2.811 -5.918 28.815 1.00 52.14 C ATOM 1556 O GLU A 97 -3.068 -7.059 29.199 1.00 14.34 O ATOM 1557 CB GLU A 97 -4.176 -5.331 26.801 1.00 20.14 C ATOM 1558 CG GLU A 97 -5.348 -4.564 26.212 1.00 64.01 C ATOM 1559 CD GLU A 97 -6.674 -5.267 26.429 1.00 4.21 C ATOM 1560 OE1 GLU A 97 -7.048 -6.104 25.582 1.00 61.03 O ATOM 1561 OE2 GLU A 97 -7.337 -4.979 27.448 1.00 61.24 O ATOM 0 H GLU A 97 -3.350 -3.120 27.549 1.00 72.24 H new ATOM 0 HA GLU A 97 -4.820 -5.185 28.846 1.00 3.40 H new ATOM 0 HB2 GLU A 97 -3.280 -5.110 26.221 1.00 20.14 H new ATOM 0 HB3 GLU A 97 -4.365 -6.400 26.701 1.00 20.14 H new ATOM 0 HG2 GLU A 97 -5.390 -3.571 26.660 1.00 64.01 H new ATOM 0 HG3 GLU A 97 -5.186 -4.424 25.143 1.00 64.01 H new ATOM 1568 N PHE A 98 -1.585 -5.405 28.841 1.00 74.25 N ATOM 1569 CA PHE A 98 -0.447 -6.171 29.333 1.00 25.40 C ATOM 1570 C PHE A 98 -0.452 -6.234 30.858 1.00 64.14 C ATOM 1571 O PHE A 98 -0.725 -5.249 31.544 1.00 60.12 O ATOM 1572 CB PHE A 98 0.863 -5.552 28.841 1.00 1.42 C ATOM 1573 CG PHE A 98 1.300 -6.062 27.498 1.00 44.11 C ATOM 1574 CD1 PHE A 98 0.365 -6.425 26.542 1.00 23.22 C ATOM 1575 CD2 PHE A 98 2.646 -6.178 27.191 1.00 45.33 C ATOM 1576 CE1 PHE A 98 0.765 -6.896 25.306 1.00 41.33 C ATOM 1577 CE2 PHE A 98 3.052 -6.647 25.956 1.00 64.24 C ATOM 1578 CZ PHE A 98 2.110 -7.006 25.012 1.00 42.34 C ATOM 0 H PHE A 98 -1.355 -4.462 28.527 1.00 74.25 H new ATOM 0 HA PHE A 98 -0.529 -7.186 28.945 1.00 25.40 H new ATOM 0 HB2 PHE A 98 0.747 -4.469 28.789 1.00 1.42 H new ATOM 0 HB3 PHE A 98 1.647 -5.754 29.570 1.00 1.42 H new ATOM 0 HD1 PHE A 98 -0.688 -6.339 26.765 1.00 23.22 H new ATOM 0 HD2 PHE A 98 3.387 -5.899 27.926 1.00 45.33 H new ATOM 0 HE1 PHE A 98 0.026 -7.178 24.570 1.00 41.33 H new ATOM 0 HE2 PHE A 98 4.104 -6.733 25.729 1.00 64.24 H new ATOM 0 HZ PHE A 98 2.424 -7.372 24.046 1.00 42.34 H new ATOM 1588 N PRO A 99 -0.143 -7.421 31.401 1.00 4.44 N ATOM 1589 CA PRO A 99 -0.104 -7.642 32.850 1.00 14.51 C ATOM 1590 C PRO A 99 1.064 -6.922 33.516 1.00 54.03 C ATOM 1591 O PRO A 99 1.919 -6.351 32.840 1.00 44.24 O ATOM 1592 CB PRO A 99 0.062 -9.158 32.973 1.00 34.24 C ATOM 1593 CG PRO A 99 0.715 -9.572 31.700 1.00 21.53 C ATOM 1594 CD PRO A 99 0.194 -8.638 30.644 1.00 52.20 C ATOM 0 HA PRO A 99 -0.995 -7.255 33.345 1.00 14.51 H new ATOM 0 HB2 PRO A 99 0.674 -9.420 33.836 1.00 34.24 H new ATOM 0 HB3 PRO A 99 -0.901 -9.652 33.103 1.00 34.24 H new ATOM 0 HG2 PRO A 99 1.800 -9.506 31.779 1.00 21.53 H new ATOM 0 HG3 PRO A 99 0.476 -10.607 31.458 1.00 21.53 H new ATOM 0 HD2 PRO A 99 0.943 -8.440 29.878 1.00 52.20 H new ATOM 0 HD3 PRO A 99 -0.679 -9.051 30.138 1.00 52.20 H new ATOM 1602 N ARG A 100 1.093 -6.954 34.844 1.00 60.01 N ATOM 1603 CA ARG A 100 2.156 -6.304 35.601 1.00 43.15 C ATOM 1604 C ARG A 100 3.512 -6.927 35.279 1.00 54.34 C ATOM 1605 O ARG A 100 4.554 -6.299 35.464 1.00 42.22 O ATOM 1606 CB ARG A 100 1.879 -6.407 37.102 1.00 44.35 C ATOM 1607 CG ARG A 100 1.068 -5.245 37.652 1.00 31.40 C ATOM 1608 CD ARG A 100 0.898 -5.350 39.160 1.00 54.15 C ATOM 1609 NE ARG A 100 -0.228 -4.553 39.640 1.00 72.13 N ATOM 1610 CZ ARG A 100 -0.818 -4.748 40.814 1.00 53.52 C ATOM 1611 NH1 ARG A 100 -0.391 -5.707 41.623 1.00 14.23 N ATOM 1612 NH2 ARG A 100 -1.838 -3.981 41.180 1.00 25.05 N ATOM 0 H ARG A 100 0.393 -7.423 35.418 1.00 60.01 H new ATOM 0 HA ARG A 100 2.181 -5.253 35.315 1.00 43.15 H new ATOM 0 HB2 ARG A 100 1.347 -7.337 37.302 1.00 44.35 H new ATOM 0 HB3 ARG A 100 2.828 -6.461 37.635 1.00 44.35 H new ATOM 0 HG2 ARG A 100 1.562 -4.305 37.405 1.00 31.40 H new ATOM 0 HG3 ARG A 100 0.088 -5.225 37.175 1.00 31.40 H new ATOM 0 HD2 ARG A 100 0.747 -6.394 39.436 1.00 54.15 H new ATOM 0 HD3 ARG A 100 1.813 -5.019 39.652 1.00 54.15 H new ATOM 0 HE ARG A 100 -0.580 -3.806 39.041 1.00 72.13 H new ATOM 0 HH11 ARG A 100 0.393 -6.298 41.345 1.00 14.23 H new ATOM 0 HH12 ARG A 100 -0.846 -5.854 42.524 1.00 14.23 H new ATOM 0 HH21 ARG A 100 -2.169 -3.242 40.560 1.00 25.05 H new ATOM 0 HH22 ARG A 100 -2.291 -4.131 42.082 1.00 25.05 H new ATOM 1626 N ASP A 101 3.488 -8.164 34.797 1.00 65.43 N ATOM 1627 CA ASP A 101 4.715 -8.872 34.448 1.00 30.35 C ATOM 1628 C ASP A 101 5.294 -8.345 33.139 1.00 11.23 C ATOM 1629 O ASP A 101 6.481 -8.027 33.057 1.00 50.44 O ATOM 1630 CB ASP A 101 4.447 -10.374 34.334 1.00 44.12 C ATOM 1631 CG ASP A 101 4.506 -11.076 35.676 1.00 72.50 C ATOM 1632 OD1 ASP A 101 5.250 -10.604 36.561 1.00 32.43 O ATOM 1633 OD2 ASP A 101 3.807 -12.098 35.841 1.00 11.23 O ATOM 0 H ASP A 101 2.633 -8.698 34.639 1.00 65.43 H new ATOM 0 HA ASP A 101 5.443 -8.699 35.241 1.00 30.35 H new ATOM 0 HB2 ASP A 101 3.465 -10.532 33.887 1.00 44.12 H new ATOM 0 HB3 ASP A 101 5.179 -10.821 33.661 1.00 44.12 H new ATOM 1638 N LEU A 102 4.449 -8.256 32.118 1.00 12.43 N ATOM 1639 CA LEU A 102 4.876 -7.768 30.812 1.00 44.43 C ATOM 1640 C LEU A 102 5.189 -6.275 30.863 1.00 35.42 C ATOM 1641 O LEU A 102 6.023 -5.778 30.107 1.00 52.13 O ATOM 1642 CB LEU A 102 3.794 -8.038 29.765 1.00 11.12 C ATOM 1643 CG LEU A 102 3.546 -9.507 29.419 1.00 4.35 C ATOM 1644 CD1 LEU A 102 2.554 -9.625 28.273 1.00 31.44 C ATOM 1645 CD2 LEU A 102 4.855 -10.200 29.068 1.00 11.33 C ATOM 0 H LEU A 102 3.464 -8.516 32.170 1.00 12.43 H new ATOM 0 HA LEU A 102 5.784 -8.302 30.533 1.00 44.43 H new ATOM 0 HB2 LEU A 102 2.858 -7.606 30.119 1.00 11.12 H new ATOM 0 HB3 LEU A 102 4.062 -7.510 28.850 1.00 11.12 H new ATOM 0 HG LEU A 102 3.120 -10.000 30.293 1.00 4.35 H new ATOM 0 HD11 LEU A 102 2.390 -10.677 28.041 1.00 31.44 H new ATOM 0 HD12 LEU A 102 1.609 -9.165 28.561 1.00 31.44 H new ATOM 0 HD13 LEU A 102 2.951 -9.117 27.394 1.00 31.44 H new ATOM 0 HD21 LEU A 102 4.660 -11.244 28.825 1.00 11.33 H new ATOM 0 HD22 LEU A 102 5.309 -9.706 28.209 1.00 11.33 H new ATOM 0 HD23 LEU A 102 5.534 -10.147 29.919 1.00 11.33 H new ATOM 1657 N LYS A 103 4.515 -5.566 31.762 1.00 33.02 N ATOM 1658 CA LYS A 103 4.722 -4.131 31.916 1.00 14.04 C ATOM 1659 C LYS A 103 6.205 -3.807 32.059 1.00 64.41 C ATOM 1660 O LYS A 103 6.668 -2.758 31.612 1.00 4.41 O ATOM 1661 CB LYS A 103 3.956 -3.613 33.136 1.00 3.31 C ATOM 1662 CG LYS A 103 2.458 -3.505 32.913 1.00 13.40 C ATOM 1663 CD LYS A 103 2.035 -2.069 32.650 1.00 43.13 C ATOM 1664 CE LYS A 103 1.922 -1.275 33.942 1.00 21.23 C ATOM 1665 NZ LYS A 103 2.256 0.162 33.742 1.00 54.24 N ATOM 0 H LYS A 103 3.820 -5.962 32.395 1.00 33.02 H new ATOM 0 HA LYS A 103 4.345 -3.637 31.021 1.00 14.04 H new ATOM 0 HB2 LYS A 103 4.142 -4.277 33.980 1.00 3.31 H new ATOM 0 HB3 LYS A 103 4.346 -2.633 33.410 1.00 3.31 H new ATOM 0 HG2 LYS A 103 2.169 -4.131 32.069 1.00 13.40 H new ATOM 0 HG3 LYS A 103 1.931 -3.886 33.787 1.00 13.40 H new ATOM 0 HD2 LYS A 103 2.759 -1.591 31.990 1.00 43.13 H new ATOM 0 HD3 LYS A 103 1.076 -2.060 32.131 1.00 43.13 H new ATOM 0 HE2 LYS A 103 0.908 -1.361 34.333 1.00 21.23 H new ATOM 0 HE3 LYS A 103 2.590 -1.702 34.690 1.00 21.23 H new ATOM 0 HZ1 LYS A 103 1.841 0.725 34.511 1.00 54.24 H new ATOM 0 HZ2 LYS A 103 3.289 0.282 33.744 1.00 54.24 H new ATOM 0 HZ3 LYS A 103 1.872 0.484 32.831 1.00 54.24 H new ATOM 1679 N LYS A 104 6.947 -4.716 32.683 1.00 62.11 N ATOM 1680 CA LYS A 104 8.379 -4.530 32.882 1.00 5.41 C ATOM 1681 C LYS A 104 9.131 -4.636 31.559 1.00 22.02 C ATOM 1682 O LYS A 104 9.935 -3.768 31.218 1.00 11.11 O ATOM 1683 CB LYS A 104 8.917 -5.566 33.871 1.00 30.32 C ATOM 1684 CG LYS A 104 10.154 -5.106 34.623 1.00 13.31 C ATOM 1685 CD LYS A 104 9.787 -4.344 35.886 1.00 61.31 C ATOM 1686 CE LYS A 104 11.023 -3.965 36.687 1.00 44.35 C ATOM 1687 NZ LYS A 104 11.455 -5.063 37.594 1.00 25.41 N ATOM 0 H LYS A 104 6.579 -5.590 33.060 1.00 62.11 H new ATOM 0 HA LYS A 104 8.536 -3.532 33.290 1.00 5.41 H new ATOM 0 HB2 LYS A 104 8.135 -5.810 34.590 1.00 30.32 H new ATOM 0 HB3 LYS A 104 9.151 -6.484 33.331 1.00 30.32 H new ATOM 0 HG2 LYS A 104 10.765 -5.970 34.883 1.00 13.31 H new ATOM 0 HG3 LYS A 104 10.759 -4.471 33.976 1.00 13.31 H new ATOM 0 HD2 LYS A 104 9.234 -3.443 35.621 1.00 61.31 H new ATOM 0 HD3 LYS A 104 9.126 -4.954 36.502 1.00 61.31 H new ATOM 0 HE2 LYS A 104 11.836 -3.717 36.004 1.00 44.35 H new ATOM 0 HE3 LYS A 104 10.815 -3.070 37.274 1.00 44.35 H new ATOM 0 HZ1 LYS A 104 12.300 -4.765 38.122 1.00 25.41 H new ATOM 0 HZ2 LYS A 104 10.689 -5.283 38.262 1.00 25.41 H new ATOM 0 HZ3 LYS A 104 11.678 -5.910 37.033 1.00 25.41 H new ATOM 1701 N LYS A 105 8.864 -5.705 30.816 1.00 1.15 N ATOM 1702 CA LYS A 105 9.513 -5.924 29.529 1.00 33.21 C ATOM 1703 C LYS A 105 9.122 -4.839 28.531 1.00 75.21 C ATOM 1704 O LYS A 105 9.891 -4.504 27.629 1.00 1.05 O ATOM 1705 CB LYS A 105 9.139 -7.301 28.975 1.00 43.23 C ATOM 1706 CG LYS A 105 9.502 -8.449 29.901 1.00 44.41 C ATOM 1707 CD LYS A 105 9.435 -9.787 29.184 1.00 52.51 C ATOM 1708 CE LYS A 105 9.611 -10.947 30.151 1.00 4.13 C ATOM 1709 NZ LYS A 105 9.213 -12.245 29.539 1.00 10.34 N ATOM 0 H LYS A 105 8.202 -6.434 31.084 1.00 1.15 H new ATOM 0 HA LYS A 105 10.591 -5.881 29.681 1.00 33.21 H new ATOM 0 HB2 LYS A 105 8.067 -7.326 28.782 1.00 43.23 H new ATOM 0 HB3 LYS A 105 9.639 -7.446 28.017 1.00 43.23 H new ATOM 0 HG2 LYS A 105 10.507 -8.296 30.295 1.00 44.41 H new ATOM 0 HG3 LYS A 105 8.823 -8.458 30.754 1.00 44.41 H new ATOM 0 HD2 LYS A 105 8.476 -9.880 28.674 1.00 52.51 H new ATOM 0 HD3 LYS A 105 10.209 -9.830 28.418 1.00 52.51 H new ATOM 0 HE2 LYS A 105 10.652 -11.000 30.469 1.00 4.13 H new ATOM 0 HE3 LYS A 105 9.013 -10.769 31.045 1.00 4.13 H new ATOM 0 HZ1 LYS A 105 9.348 -13.010 30.230 1.00 10.34 H new ATOM 0 HZ2 LYS A 105 8.212 -12.204 29.258 1.00 10.34 H new ATOM 0 HZ3 LYS A 105 9.801 -12.428 28.701 1.00 10.34 H new ATOM 1723 N LEU A 106 7.922 -4.293 28.698 1.00 43.20 N ATOM 1724 CA LEU A 106 7.429 -3.244 27.812 1.00 4.31 C ATOM 1725 C LEU A 106 7.978 -1.881 28.224 1.00 71.22 C ATOM 1726 O LEU A 106 8.295 -1.047 27.376 1.00 13.43 O ATOM 1727 CB LEU A 106 5.900 -3.215 27.824 1.00 21.43 C ATOM 1728 CG LEU A 106 5.244 -2.070 27.053 1.00 12.54 C ATOM 1729 CD1 LEU A 106 3.908 -2.511 26.476 1.00 13.32 C ATOM 1730 CD2 LEU A 106 5.063 -0.856 27.953 1.00 3.24 C ATOM 0 H LEU A 106 7.273 -4.559 29.438 1.00 43.20 H new ATOM 0 HA LEU A 106 7.774 -3.464 26.802 1.00 4.31 H new ATOM 0 HB2 LEU A 106 5.536 -4.157 27.415 1.00 21.43 H new ATOM 0 HB3 LEU A 106 5.566 -3.167 28.860 1.00 21.43 H new ATOM 0 HG LEU A 106 5.899 -1.792 26.227 1.00 12.54 H new ATOM 0 HD11 LEU A 106 3.456 -1.683 25.931 1.00 13.32 H new ATOM 0 HD12 LEU A 106 4.064 -3.350 25.798 1.00 13.32 H new ATOM 0 HD13 LEU A 106 3.245 -2.817 27.285 1.00 13.32 H new ATOM 0 HD21 LEU A 106 4.595 -0.050 27.388 1.00 3.24 H new ATOM 0 HD22 LEU A 106 4.429 -1.122 28.799 1.00 3.24 H new ATOM 0 HD23 LEU A 106 6.035 -0.525 28.318 1.00 3.24 H new ATOM 1742 N SER A 107 8.089 -1.664 29.530 1.00 21.04 N ATOM 1743 CA SER A 107 8.598 -0.402 30.055 1.00 61.20 C ATOM 1744 C SER A 107 10.114 -0.322 29.902 1.00 20.44 C ATOM 1745 O SER A 107 10.683 0.765 29.808 1.00 10.34 O ATOM 1746 CB SER A 107 8.213 -0.245 31.527 1.00 24.44 C ATOM 1747 OG SER A 107 8.582 1.032 32.018 1.00 42.04 O ATOM 0 H SER A 107 7.833 -2.346 30.245 1.00 21.04 H new ATOM 0 HA SER A 107 8.149 0.409 29.482 1.00 61.20 H new ATOM 0 HB2 SER A 107 7.138 -0.385 31.642 1.00 24.44 H new ATOM 0 HB3 SER A 107 8.701 -1.020 32.118 1.00 24.44 H new ATOM 0 HG SER A 107 8.324 1.107 32.960 1.00 42.04 H new ATOM 1753 N ARG A 108 10.762 -1.483 29.879 1.00 52.43 N ATOM 1754 CA ARG A 108 12.212 -1.545 29.739 1.00 73.41 C ATOM 1755 C ARG A 108 12.622 -1.435 28.273 1.00 11.34 C ATOM 1756 O ARG A 108 13.673 -0.881 27.952 1.00 2.51 O ATOM 1757 CB ARG A 108 12.747 -2.850 30.332 1.00 34.02 C ATOM 1758 CG ARG A 108 12.521 -4.061 29.442 1.00 31.42 C ATOM 1759 CD ARG A 108 13.711 -4.311 28.529 1.00 52.01 C ATOM 1760 NE ARG A 108 14.654 -5.265 29.107 1.00 52.23 N ATOM 1761 CZ ARG A 108 14.421 -6.570 29.190 1.00 12.10 C ATOM 1762 NH1 ARG A 108 13.282 -7.074 28.735 1.00 41.23 N ATOM 1763 NH2 ARG A 108 15.328 -7.374 29.729 1.00 1.03 N ATOM 0 H ARG A 108 10.306 -2.392 29.955 1.00 52.43 H new ATOM 0 HA ARG A 108 12.641 -0.703 30.283 1.00 73.41 H new ATOM 0 HB2 ARG A 108 13.815 -2.743 30.521 1.00 34.02 H new ATOM 0 HB3 ARG A 108 12.269 -3.024 31.296 1.00 34.02 H new ATOM 0 HG2 ARG A 108 12.345 -4.941 30.061 1.00 31.42 H new ATOM 0 HG3 ARG A 108 11.625 -3.910 28.840 1.00 31.42 H new ATOM 0 HD2 ARG A 108 13.358 -4.687 27.569 1.00 52.01 H new ATOM 0 HD3 ARG A 108 14.223 -3.368 28.334 1.00 52.01 H new ATOM 0 HE ARG A 108 15.540 -4.910 29.467 1.00 52.23 H new ATOM 0 HH11 ARG A 108 12.582 -6.459 28.320 1.00 41.23 H new ATOM 0 HH12 ARG A 108 13.106 -8.077 28.800 1.00 41.23 H new ATOM 0 HH21 ARG A 108 16.205 -6.990 30.080 1.00 1.03 H new ATOM 0 HH22 ARG A 108 15.148 -8.376 29.792 1.00 1.03 H new ATOM 1777 N VAL A 109 11.785 -1.966 27.388 1.00 32.31 N ATOM 1778 CA VAL A 109 12.060 -1.927 25.957 1.00 74.03 C ATOM 1779 C VAL A 109 11.734 -0.557 25.372 1.00 23.12 C ATOM 1780 O VAL A 109 12.441 -0.061 24.495 1.00 51.23 O ATOM 1781 CB VAL A 109 11.254 -3.000 25.201 1.00 73.11 C ATOM 1782 CG1 VAL A 109 9.761 -2.741 25.336 1.00 50.10 C ATOM 1783 CG2 VAL A 109 11.666 -3.042 23.737 1.00 35.40 C ATOM 0 H VAL A 109 10.911 -2.428 27.637 1.00 32.31 H new ATOM 0 HA VAL A 109 13.124 -2.128 25.834 1.00 74.03 H new ATOM 0 HB VAL A 109 11.471 -3.972 25.644 1.00 73.11 H new ATOM 0 HG11 VAL A 109 9.208 -3.509 24.795 1.00 50.10 H new ATOM 0 HG12 VAL A 109 9.481 -2.766 26.389 1.00 50.10 H new ATOM 0 HG13 VAL A 109 9.522 -1.762 24.920 1.00 50.10 H new ATOM 0 HG21 VAL A 109 11.087 -3.806 23.218 1.00 35.40 H new ATOM 0 HG22 VAL A 109 11.480 -2.071 23.279 1.00 35.40 H new ATOM 0 HG23 VAL A 109 12.727 -3.280 23.664 1.00 35.40 H new ATOM 1793 N VAL A 110 10.659 0.050 25.865 1.00 44.42 N ATOM 1794 CA VAL A 110 10.240 1.365 25.393 1.00 64.33 C ATOM 1795 C VAL A 110 11.271 2.431 25.749 1.00 74.44 C ATOM 1796 O VAL A 110 11.541 3.335 24.960 1.00 53.03 O ATOM 1797 CB VAL A 110 8.877 1.766 25.986 1.00 31.21 C ATOM 1798 CG1 VAL A 110 8.608 3.245 25.756 1.00 45.21 C ATOM 1799 CG2 VAL A 110 7.766 0.915 25.390 1.00 72.20 C ATOM 0 H VAL A 110 10.063 -0.347 26.591 1.00 44.42 H new ATOM 0 HA VAL A 110 10.150 1.298 24.309 1.00 64.33 H new ATOM 0 HB VAL A 110 8.902 1.589 27.061 1.00 31.21 H new ATOM 0 HG11 VAL A 110 7.640 3.509 26.182 1.00 45.21 H new ATOM 0 HG12 VAL A 110 9.389 3.836 26.235 1.00 45.21 H new ATOM 0 HG13 VAL A 110 8.602 3.452 24.686 1.00 45.21 H new ATOM 0 HG21 VAL A 110 6.810 1.212 25.820 1.00 72.20 H new ATOM 0 HG22 VAL A 110 7.738 1.058 24.310 1.00 72.20 H new ATOM 0 HG23 VAL A 110 7.953 -0.136 25.612 1.00 72.20 H new ATOM 1809 N ASN A 111 11.843 2.317 26.943 1.00 64.14 N ATOM 1810 CA ASN A 111 12.845 3.271 27.404 1.00 51.41 C ATOM 1811 C ASN A 111 14.047 3.295 26.465 1.00 23.30 C ATOM 1812 O ASN A 111 14.673 4.337 26.267 1.00 32.32 O ATOM 1813 CB ASN A 111 13.298 2.921 28.823 1.00 42.14 C ATOM 1814 CG ASN A 111 12.221 3.189 29.856 1.00 23.33 C ATOM 1815 OD1 ASN A 111 11.249 3.894 29.587 1.00 10.45 O ATOM 1816 ND2 ASN A 111 12.391 2.625 31.046 1.00 34.35 N ATOM 0 H ASN A 111 11.630 1.574 27.609 1.00 64.14 H new ATOM 0 HA ASN A 111 12.391 4.262 27.409 1.00 51.41 H new ATOM 0 HB2 ASN A 111 13.581 1.869 28.862 1.00 42.14 H new ATOM 0 HB3 ASN A 111 14.188 3.500 29.071 1.00 42.14 H new ATOM 0 HD21 ASN A 111 11.700 2.769 31.782 1.00 34.35 H new ATOM 0 HD22 ASN A 111 13.213 2.048 31.224 1.00 34.35 H new ATOM 1823 N ILE A 112 14.364 2.140 25.889 1.00 30.35 N ATOM 1824 CA ILE A 112 15.490 2.028 24.970 1.00 12.24 C ATOM 1825 C ILE A 112 15.418 3.093 23.881 1.00 74.20 C ATOM 1826 O ILE A 112 16.444 3.559 23.384 1.00 32.01 O ATOM 1827 CB ILE A 112 15.542 0.637 24.311 1.00 44.52 C ATOM 1828 CG1 ILE A 112 15.705 -0.450 25.375 1.00 54.11 C ATOM 1829 CG2 ILE A 112 16.679 0.573 23.302 1.00 61.43 C ATOM 1830 CD1 ILE A 112 15.519 -1.852 24.839 1.00 60.21 C ATOM 0 H ILE A 112 13.857 1.269 26.043 1.00 30.35 H new ATOM 0 HA ILE A 112 16.395 2.175 25.559 1.00 12.24 H new ATOM 0 HB ILE A 112 14.603 0.465 23.784 1.00 44.52 H new ATOM 0 HG12 ILE A 112 16.698 -0.368 25.818 1.00 54.11 H new ATOM 0 HG13 ILE A 112 14.984 -0.276 26.174 1.00 54.11 H new ATOM 0 HG21 ILE A 112 16.704 -0.416 22.844 1.00 61.43 H new ATOM 0 HG22 ILE A 112 16.523 1.327 22.530 1.00 61.43 H new ATOM 0 HG23 ILE A 112 17.626 0.762 23.808 1.00 61.43 H new ATOM 0 HD11 ILE A 112 15.649 -2.571 25.648 1.00 60.21 H new ATOM 0 HD12 ILE A 112 14.517 -1.952 24.422 1.00 60.21 H new ATOM 0 HD13 ILE A 112 16.257 -2.045 24.060 1.00 60.21 H new ATOM 1842 N LEU A 113 14.199 3.475 23.515 1.00 62.12 N ATOM 1843 CA LEU A 113 13.992 4.487 22.485 1.00 51.01 C ATOM 1844 C LEU A 113 14.736 5.774 22.828 1.00 34.34 C ATOM 1845 O LEU A 113 15.280 6.443 21.950 1.00 62.41 O ATOM 1846 CB LEU A 113 12.499 4.776 22.319 1.00 10.12 C ATOM 1847 CG LEU A 113 11.723 3.807 21.427 1.00 53.02 C ATOM 1848 CD1 LEU A 113 12.175 3.935 19.980 1.00 34.23 C ATOM 1849 CD2 LEU A 113 11.895 2.377 21.917 1.00 75.43 C ATOM 0 H LEU A 113 13.340 3.099 23.916 1.00 62.12 H new ATOM 0 HA LEU A 113 14.388 4.100 21.546 1.00 51.01 H new ATOM 0 HB2 LEU A 113 12.038 4.778 23.307 1.00 10.12 H new ATOM 0 HB3 LEU A 113 12.387 5.781 21.913 1.00 10.12 H new ATOM 0 HG LEU A 113 10.665 4.063 21.480 1.00 53.02 H new ATOM 0 HD11 LEU A 113 11.612 3.238 19.360 1.00 34.23 H new ATOM 0 HD12 LEU A 113 11.999 4.953 19.633 1.00 34.23 H new ATOM 0 HD13 LEU A 113 13.238 3.706 19.909 1.00 34.23 H new ATOM 0 HD21 LEU A 113 11.336 1.701 21.270 1.00 75.43 H new ATOM 0 HD22 LEU A 113 12.951 2.109 21.895 1.00 75.43 H new ATOM 0 HD23 LEU A 113 11.521 2.295 22.938 1.00 75.43 H new ATOM 1861 N LYS A 114 14.756 6.114 24.113 1.00 43.14 N ATOM 1862 CA LYS A 114 15.436 7.318 24.575 1.00 50.54 C ATOM 1863 C LYS A 114 16.950 7.155 24.490 1.00 42.21 C ATOM 1864 O LYS A 114 17.677 8.126 24.283 1.00 40.21 O ATOM 1865 CB LYS A 114 15.027 7.640 26.014 1.00 73.32 C ATOM 1866 CG LYS A 114 15.888 6.952 27.059 1.00 72.20 C ATOM 1867 CD LYS A 114 15.158 6.823 28.386 1.00 43.23 C ATOM 1868 CE LYS A 114 15.172 8.133 29.158 1.00 13.34 C ATOM 1869 NZ LYS A 114 14.962 7.919 30.617 1.00 14.00 N ATOM 0 H LYS A 114 14.309 5.572 24.853 1.00 43.14 H new ATOM 0 HA LYS A 114 15.140 8.143 23.927 1.00 50.54 H new ATOM 0 HB2 LYS A 114 15.079 8.718 26.165 1.00 73.32 H new ATOM 0 HB3 LYS A 114 13.988 7.347 26.162 1.00 73.32 H new ATOM 0 HG2 LYS A 114 16.174 5.962 26.702 1.00 72.20 H new ATOM 0 HG3 LYS A 114 16.809 7.517 27.203 1.00 72.20 H new ATOM 0 HD2 LYS A 114 14.128 6.515 28.207 1.00 43.23 H new ATOM 0 HD3 LYS A 114 15.625 6.041 28.985 1.00 43.23 H new ATOM 0 HE2 LYS A 114 16.124 8.638 28.998 1.00 13.34 H new ATOM 0 HE3 LYS A 114 14.393 8.791 28.772 1.00 13.34 H new ATOM 0 HZ1 LYS A 114 14.978 8.836 31.108 1.00 14.00 H new ATOM 0 HZ2 LYS A 114 14.042 7.460 30.772 1.00 14.00 H new ATOM 0 HZ3 LYS A 114 15.719 7.312 30.991 1.00 14.00 H new ATOM 1883 N GLU A 115 17.418 5.921 24.650 1.00 13.10 N ATOM 1884 CA GLU A 115 18.846 5.632 24.591 1.00 52.33 C ATOM 1885 C GLU A 115 19.402 5.923 23.200 1.00 44.21 C ATOM 1886 O GLU A 115 20.502 6.458 23.059 1.00 2.34 O ATOM 1887 CB GLU A 115 19.109 4.171 24.962 1.00 2.51 C ATOM 1888 CG GLU A 115 19.634 3.988 26.376 1.00 13.13 C ATOM 1889 CD GLU A 115 18.667 4.497 27.428 1.00 51.33 C ATOM 1890 OE1 GLU A 115 17.661 3.807 27.694 1.00 24.32 O ATOM 1891 OE2 GLU A 115 18.917 5.587 27.984 1.00 13.22 O ATOM 0 H GLU A 115 16.829 5.106 24.821 1.00 13.10 H new ATOM 0 HA GLU A 115 19.352 6.278 25.309 1.00 52.33 H new ATOM 0 HB2 GLU A 115 18.185 3.604 24.850 1.00 2.51 H new ATOM 0 HB3 GLU A 115 19.828 3.750 24.259 1.00 2.51 H new ATOM 0 HG2 GLU A 115 19.833 2.931 26.552 1.00 13.13 H new ATOM 0 HG3 GLU A 115 20.584 4.512 26.477 1.00 13.13 H new ATOM 1898 N ARG A 116 18.635 5.566 22.175 1.00 11.23 N ATOM 1899 CA ARG A 116 19.051 5.787 20.796 1.00 62.24 C ATOM 1900 C ARG A 116 18.502 7.109 20.267 1.00 71.53 C ATOM 1901 O ARG A 116 18.905 7.579 19.204 1.00 62.41 O ATOM 1902 CB ARG A 116 18.579 4.634 19.908 1.00 41.25 C ATOM 1903 CG ARG A 116 18.871 3.260 20.487 1.00 20.31 C ATOM 1904 CD ARG A 116 20.354 3.077 20.768 1.00 44.13 C ATOM 1905 NE ARG A 116 21.170 3.322 19.581 1.00 21.03 N ATOM 1906 CZ ARG A 116 22.486 3.499 19.618 1.00 41.20 C ATOM 1907 NH1 ARG A 116 23.132 3.459 20.775 1.00 32.52 N ATOM 1908 NH2 ARG A 116 23.159 3.717 18.495 1.00 11.23 N ATOM 0 H ARG A 116 17.722 5.122 22.274 1.00 11.23 H new ATOM 0 HA ARG A 116 20.140 5.832 20.774 1.00 62.24 H new ATOM 0 HB2 ARG A 116 17.506 4.729 19.744 1.00 41.25 H new ATOM 0 HB3 ARG A 116 19.059 4.718 18.933 1.00 41.25 H new ATOM 0 HG2 ARG A 116 18.306 3.125 21.409 1.00 20.31 H new ATOM 0 HG3 ARG A 116 18.534 2.492 19.791 1.00 20.31 H new ATOM 0 HD2 ARG A 116 20.659 3.756 21.564 1.00 44.13 H new ATOM 0 HD3 ARG A 116 20.533 2.064 21.128 1.00 44.13 H new ATOM 0 HE ARG A 116 20.704 3.359 18.675 1.00 21.03 H new ATOM 0 HH11 ARG A 116 22.618 3.292 21.640 1.00 32.52 H new ATOM 0 HH12 ARG A 116 24.143 3.595 20.800 1.00 32.52 H new ATOM 0 HH21 ARG A 116 22.666 3.749 17.603 1.00 11.23 H new ATOM 0 HH22 ARG A 116 24.169 3.853 18.524 1.00 11.23 H new ATOM 1922 N ASN A 117 17.579 7.702 21.016 1.00 11.25 N ATOM 1923 CA ASN A 117 16.973 8.969 20.623 1.00 42.14 C ATOM 1924 C ASN A 117 16.184 8.815 19.326 1.00 30.11 C ATOM 1925 O ASN A 117 16.216 9.690 18.460 1.00 22.03 O ATOM 1926 CB ASN A 117 18.051 10.042 20.452 1.00 14.15 C ATOM 1927 CG ASN A 117 19.154 9.922 21.485 1.00 25.13 C ATOM 1928 OD1 ASN A 117 18.963 10.251 22.656 1.00 50.00 O ATOM 1929 ND2 ASN A 117 20.318 9.449 21.055 1.00 62.42 N ATOM 0 H ASN A 117 17.234 7.326 21.899 1.00 11.25 H new ATOM 0 HA ASN A 117 16.286 9.275 21.412 1.00 42.14 H new ATOM 0 HB2 ASN A 117 18.482 9.965 19.454 1.00 14.15 H new ATOM 0 HB3 ASN A 117 17.593 11.028 20.526 1.00 14.15 H new ATOM 0 HD21 ASN A 117 21.098 9.346 21.704 1.00 62.42 H new ATOM 0 HD22 ASN A 117 20.432 9.188 20.075 1.00 62.42 H new ATOM 1936 N ILE A 118 15.476 7.698 19.200 1.00 21.42 N ATOM 1937 CA ILE A 118 14.677 7.430 18.011 1.00 63.13 C ATOM 1938 C ILE A 118 13.593 8.486 17.827 1.00 11.25 C ATOM 1939 O ILE A 118 13.665 9.315 16.920 1.00 64.02 O ATOM 1940 CB ILE A 118 14.018 6.040 18.076 1.00 30.44 C ATOM 1941 CG1 ILE A 118 15.079 4.957 18.288 1.00 51.53 C ATOM 1942 CG2 ILE A 118 13.224 5.770 16.807 1.00 34.43 C ATOM 1943 CD1 ILE A 118 16.019 4.796 17.114 1.00 62.21 C ATOM 0 H ILE A 118 15.439 6.964 19.907 1.00 21.42 H new ATOM 0 HA ILE A 118 15.358 7.460 17.161 1.00 63.13 H new ATOM 0 HB ILE A 118 13.331 6.020 18.922 1.00 30.44 H new ATOM 0 HG12 ILE A 118 15.660 5.198 19.178 1.00 51.53 H new ATOM 0 HG13 ILE A 118 14.583 4.006 18.479 1.00 51.53 H new ATOM 0 HG21 ILE A 118 12.764 4.784 16.868 1.00 34.43 H new ATOM 0 HG22 ILE A 118 12.447 6.526 16.696 1.00 34.43 H new ATOM 0 HG23 ILE A 118 13.891 5.806 15.946 1.00 34.43 H new ATOM 0 HD11 ILE A 118 16.744 4.012 17.333 1.00 62.21 H new ATOM 0 HD12 ILE A 118 15.449 4.524 16.226 1.00 62.21 H new ATOM 0 HD13 ILE A 118 16.543 5.735 16.936 1.00 62.21 H new ATOM 1955 N PHE A 119 12.588 8.452 18.697 1.00 63.13 N ATOM 1956 CA PHE A 119 11.488 9.407 18.632 1.00 43.01 C ATOM 1957 C PHE A 119 11.865 10.718 19.317 1.00 73.50 C ATOM 1958 O PHE A 119 12.839 10.781 20.066 1.00 45.20 O ATOM 1959 CB PHE A 119 10.235 8.819 19.284 1.00 2.11 C ATOM 1960 CG PHE A 119 9.826 7.493 18.709 1.00 3.04 C ATOM 1961 CD1 PHE A 119 9.539 7.367 17.360 1.00 55.11 C ATOM 1962 CD2 PHE A 119 9.730 6.372 19.518 1.00 3.45 C ATOM 1963 CE1 PHE A 119 9.161 6.148 16.829 1.00 43.21 C ATOM 1964 CE2 PHE A 119 9.354 5.151 18.993 1.00 71.41 C ATOM 1965 CZ PHE A 119 9.070 5.038 17.646 1.00 1.30 C ATOM 0 H PHE A 119 12.513 7.773 19.455 1.00 63.13 H new ATOM 0 HA PHE A 119 11.280 9.613 17.582 1.00 43.01 H new ATOM 0 HB2 PHE A 119 10.412 8.703 20.353 1.00 2.11 H new ATOM 0 HB3 PHE A 119 9.412 9.524 19.172 1.00 2.11 H new ATOM 0 HD1 PHE A 119 9.611 8.231 16.716 1.00 55.11 H new ATOM 0 HD2 PHE A 119 9.952 6.454 20.572 1.00 3.45 H new ATOM 0 HE1 PHE A 119 8.937 6.064 15.776 1.00 43.21 H new ATOM 0 HE2 PHE A 119 9.282 4.286 19.635 1.00 71.41 H new ATOM 0 HZ PHE A 119 8.778 4.084 17.233 1.00 1.30 H new ATOM 1975 N SER A 120 11.085 11.761 19.054 1.00 52.22 N ATOM 1976 CA SER A 120 11.338 13.072 19.641 1.00 70.12 C ATOM 1977 C SER A 120 10.601 13.224 20.968 1.00 41.20 C ATOM 1978 O SER A 120 9.751 12.405 21.318 1.00 65.31 O ATOM 1979 CB SER A 120 10.908 14.178 18.676 1.00 54.14 C ATOM 1980 OG SER A 120 11.760 15.305 18.779 1.00 43.21 O ATOM 0 H SER A 120 10.273 11.724 18.438 1.00 52.22 H new ATOM 0 HA SER A 120 12.408 13.159 19.828 1.00 70.12 H new ATOM 0 HB2 SER A 120 10.923 13.799 17.654 1.00 54.14 H new ATOM 0 HB3 SER A 120 9.881 14.474 18.891 1.00 54.14 H new ATOM 0 HG SER A 120 11.465 15.997 18.151 1.00 43.21 H new ATOM 1986 N LYS A 121 10.933 14.280 21.704 1.00 72.33 N ATOM 1987 CA LYS A 121 10.303 14.543 22.992 1.00 24.14 C ATOM 1988 C LYS A 121 8.786 14.613 22.853 1.00 41.24 C ATOM 1989 O LYS A 121 8.052 14.170 23.735 1.00 10.44 O ATOM 1990 CB LYS A 121 10.833 15.851 23.584 1.00 52.20 C ATOM 1991 CG LYS A 121 10.399 17.086 22.814 1.00 40.51 C ATOM 1992 CD LYS A 121 9.147 17.706 23.413 1.00 64.13 C ATOM 1993 CE LYS A 121 9.166 19.222 23.297 1.00 52.32 C ATOM 1994 NZ LYS A 121 9.877 19.857 24.441 1.00 40.44 N ATOM 0 H LYS A 121 11.635 14.967 21.430 1.00 72.33 H new ATOM 0 HA LYS A 121 10.550 13.721 23.663 1.00 24.14 H new ATOM 0 HB2 LYS A 121 10.492 15.938 24.616 1.00 52.20 H new ATOM 0 HB3 LYS A 121 11.922 15.813 23.610 1.00 52.20 H new ATOM 0 HG2 LYS A 121 11.206 17.819 22.816 1.00 40.51 H new ATOM 0 HG3 LYS A 121 10.212 16.820 21.774 1.00 40.51 H new ATOM 0 HD2 LYS A 121 8.266 17.312 22.906 1.00 64.13 H new ATOM 0 HD3 LYS A 121 9.065 17.421 24.462 1.00 64.13 H new ATOM 0 HE2 LYS A 121 9.651 19.509 22.364 1.00 52.32 H new ATOM 0 HE3 LYS A 121 8.143 19.596 23.253 1.00 52.32 H new ATOM 0 HZ1 LYS A 121 9.868 20.890 24.325 1.00 40.44 H new ATOM 0 HZ2 LYS A 121 9.400 19.604 25.330 1.00 40.44 H new ATOM 0 HZ3 LYS A 121 10.861 19.520 24.469 1.00 40.44 H new ATOM 2008 N GLN A 122 8.324 15.171 21.738 1.00 22.21 N ATOM 2009 CA GLN A 122 6.894 15.298 21.484 1.00 61.53 C ATOM 2010 C GLN A 122 6.215 13.932 21.498 1.00 25.34 C ATOM 2011 O GLN A 122 5.098 13.787 21.995 1.00 41.55 O ATOM 2012 CB GLN A 122 6.653 15.986 20.139 1.00 33.31 C ATOM 2013 CG GLN A 122 5.358 16.780 20.086 1.00 75.31 C ATOM 2014 CD GLN A 122 5.507 18.178 20.651 1.00 12.43 C ATOM 2015 OE1 GLN A 122 6.564 18.798 20.535 1.00 44.14 O ATOM 2016 NE2 GLN A 122 4.445 18.684 21.269 1.00 44.04 N ATOM 0 H GLN A 122 8.919 15.542 20.997 1.00 22.21 H new ATOM 0 HA GLN A 122 6.462 15.906 22.279 1.00 61.53 H new ATOM 0 HB2 GLN A 122 7.488 16.654 19.927 1.00 33.31 H new ATOM 0 HB3 GLN A 122 6.640 15.232 19.352 1.00 33.31 H new ATOM 0 HG2 GLN A 122 5.018 16.844 19.052 1.00 75.31 H new ATOM 0 HG3 GLN A 122 4.587 16.248 20.643 1.00 75.31 H new ATOM 0 HE21 GLN A 122 3.588 18.135 21.343 1.00 44.04 H new ATOM 0 HE22 GLN A 122 4.487 19.621 21.670 1.00 44.04 H new ATOM 2025 N VAL A 123 6.898 12.931 20.951 1.00 42.33 N ATOM 2026 CA VAL A 123 6.362 11.576 20.901 1.00 13.43 C ATOM 2027 C VAL A 123 6.476 10.891 22.258 1.00 35.41 C ATOM 2028 O VAL A 123 5.495 10.363 22.784 1.00 41.25 O ATOM 2029 CB VAL A 123 7.088 10.723 19.845 1.00 41.35 C ATOM 2030 CG1 VAL A 123 6.381 9.390 19.657 1.00 70.34 C ATOM 2031 CG2 VAL A 123 7.183 11.476 18.526 1.00 1.21 C ATOM 0 H VAL A 123 7.824 13.033 20.536 1.00 42.33 H new ATOM 0 HA VAL A 123 5.311 11.661 20.627 1.00 13.43 H new ATOM 0 HB VAL A 123 8.100 10.524 20.197 1.00 41.35 H new ATOM 0 HG11 VAL A 123 6.909 8.801 18.907 1.00 70.34 H new ATOM 0 HG12 VAL A 123 6.370 8.848 20.602 1.00 70.34 H new ATOM 0 HG13 VAL A 123 5.357 9.565 19.327 1.00 70.34 H new ATOM 0 HG21 VAL A 123 7.699 10.858 17.791 1.00 1.21 H new ATOM 0 HG22 VAL A 123 6.180 11.707 18.166 1.00 1.21 H new ATOM 0 HG23 VAL A 123 7.738 12.402 18.675 1.00 1.21 H new ATOM 2041 N VAL A 124 7.679 10.902 22.822 1.00 65.24 N ATOM 2042 CA VAL A 124 7.922 10.282 24.119 1.00 41.11 C ATOM 2043 C VAL A 124 6.985 10.846 25.181 1.00 1.01 C ATOM 2044 O VAL A 124 6.332 10.098 25.907 1.00 2.04 O ATOM 2045 CB VAL A 124 9.379 10.486 24.575 1.00 42.33 C ATOM 2046 CG1 VAL A 124 9.610 9.839 25.932 1.00 50.23 C ATOM 2047 CG2 VAL A 124 10.344 9.930 23.538 1.00 10.05 C ATOM 0 H VAL A 124 8.501 11.334 22.401 1.00 65.24 H new ATOM 0 HA VAL A 124 7.733 9.215 24.000 1.00 41.11 H new ATOM 0 HB VAL A 124 9.564 11.556 24.674 1.00 42.33 H new ATOM 0 HG11 VAL A 124 10.645 9.994 26.237 1.00 50.23 H new ATOM 0 HG12 VAL A 124 8.943 10.289 26.668 1.00 50.23 H new ATOM 0 HG13 VAL A 124 9.407 8.770 25.865 1.00 50.23 H new ATOM 0 HG21 VAL A 124 11.369 10.082 23.876 1.00 10.05 H new ATOM 0 HG22 VAL A 124 10.161 8.864 23.405 1.00 10.05 H new ATOM 0 HG23 VAL A 124 10.195 10.445 22.589 1.00 10.05 H new ATOM 2057 N ASN A 125 6.924 12.171 25.265 1.00 1.03 N ATOM 2058 CA ASN A 125 6.066 12.836 26.239 1.00 4.34 C ATOM 2059 C ASN A 125 4.614 12.401 26.072 1.00 53.43 C ATOM 2060 O ASN A 125 3.832 12.432 27.022 1.00 0.34 O ATOM 2061 CB ASN A 125 6.176 14.355 26.093 1.00 52.31 C ATOM 2062 CG ASN A 125 7.413 14.914 26.769 1.00 64.45 C ATOM 2063 OD1 ASN A 125 8.178 15.714 26.035 1.00 11.33 O flip ATOM 2064 ND2 ASN A 125 7.679 14.628 27.936 1.00 55.43 N flip ATOM 0 H ASN A 125 7.458 12.805 24.671 1.00 1.03 H new ATOM 0 HA ASN A 125 6.400 12.549 27.236 1.00 4.34 H new ATOM 0 HB2 ASN A 125 6.195 14.615 25.035 1.00 52.31 H new ATOM 0 HB3 ASN A 125 5.289 14.823 26.520 1.00 52.31 H new ATOM 0 HD21 ASN A 125 7.063 14.009 28.463 1.00 55.43 H new ATOM 0 HD22 ASN A 125 8.516 15.010 28.377 1.00 55.43 H new ATOM 2071 N ASP A 126 4.260 11.996 24.857 1.00 13.12 N ATOM 2072 CA ASP A 126 2.902 11.553 24.565 1.00 74.15 C ATOM 2073 C ASP A 126 2.650 10.160 25.132 1.00 24.54 C ATOM 2074 O ASP A 126 1.593 9.893 25.704 1.00 11.22 O ATOM 2075 CB ASP A 126 2.656 11.554 23.055 1.00 61.21 C ATOM 2076 CG ASP A 126 1.185 11.433 22.707 1.00 24.24 C ATOM 2077 OD1 ASP A 126 0.344 11.737 23.578 1.00 54.53 O ATOM 2078 OD2 ASP A 126 0.876 11.033 21.565 1.00 22.43 O ATOM 0 H ASP A 126 4.895 11.965 24.059 1.00 13.12 H new ATOM 0 HA ASP A 126 2.210 12.249 25.039 1.00 74.15 H new ATOM 0 HB2 ASP A 126 3.053 12.474 22.626 1.00 61.21 H new ATOM 0 HB3 ASP A 126 3.203 10.728 22.600 1.00 61.21 H new ATOM 2083 N ILE A 127 3.628 9.275 24.970 1.00 63.22 N ATOM 2084 CA ILE A 127 3.513 7.909 25.466 1.00 12.33 C ATOM 2085 C ILE A 127 3.172 7.892 26.953 1.00 63.34 C ATOM 2086 O ILE A 127 2.246 7.203 27.378 1.00 15.45 O ATOM 2087 CB ILE A 127 4.813 7.116 25.240 1.00 62.15 C ATOM 2088 CG1 ILE A 127 5.150 7.062 23.748 1.00 73.41 C ATOM 2089 CG2 ILE A 127 4.683 5.712 25.810 1.00 22.42 C ATOM 2090 CD1 ILE A 127 6.629 6.915 23.467 1.00 12.22 C ATOM 0 H ILE A 127 4.509 9.480 24.499 1.00 63.22 H new ATOM 0 HA ILE A 127 2.707 7.436 24.905 1.00 12.33 H new ATOM 0 HB ILE A 127 5.626 7.624 25.759 1.00 62.15 H new ATOM 0 HG12 ILE A 127 4.617 6.227 23.294 1.00 73.41 H new ATOM 0 HG13 ILE A 127 4.786 7.971 23.269 1.00 73.41 H new ATOM 0 HG21 ILE A 127 5.610 5.164 25.642 1.00 22.42 H new ATOM 0 HG22 ILE A 127 4.485 5.771 26.880 1.00 22.42 H new ATOM 0 HG23 ILE A 127 3.861 5.194 25.317 1.00 22.42 H new ATOM 0 HD11 ILE A 127 6.793 6.884 22.390 1.00 12.22 H new ATOM 0 HD12 ILE A 127 7.166 7.763 23.891 1.00 12.22 H new ATOM 0 HD13 ILE A 127 6.995 5.992 23.917 1.00 12.22 H new ATOM 2102 N GLU A 128 3.928 8.655 27.736 1.00 33.13 N ATOM 2103 CA GLU A 128 3.705 8.727 29.175 1.00 14.35 C ATOM 2104 C GLU A 128 2.288 9.205 29.483 1.00 23.31 C ATOM 2105 O GLU A 128 1.589 8.617 30.309 1.00 63.35 O ATOM 2106 CB GLU A 128 4.723 9.666 29.825 1.00 24.13 C ATOM 2107 CG GLU A 128 6.162 9.364 29.440 1.00 73.03 C ATOM 2108 CD GLU A 128 7.163 10.173 30.241 1.00 32.15 C ATOM 2109 OE1 GLU A 128 6.976 11.403 30.354 1.00 24.21 O ATOM 2110 OE2 GLU A 128 8.132 9.577 30.756 1.00 60.02 O ATOM 0 H GLU A 128 4.699 9.231 27.399 1.00 33.13 H new ATOM 0 HA GLU A 128 3.830 7.725 29.586 1.00 14.35 H new ATOM 0 HB2 GLU A 128 4.488 10.693 29.544 1.00 24.13 H new ATOM 0 HB3 GLU A 128 4.624 9.601 30.909 1.00 24.13 H new ATOM 0 HG2 GLU A 128 6.358 8.302 29.587 1.00 73.03 H new ATOM 0 HG3 GLU A 128 6.301 9.570 28.379 1.00 73.03 H new ATOM 2117 N ARG A 129 1.872 10.275 28.814 1.00 64.12 N ATOM 2118 CA ARG A 129 0.541 10.833 29.016 1.00 32.14 C ATOM 2119 C ARG A 129 -0.533 9.774 28.786 1.00 73.02 C ATOM 2120 O ARG A 129 -1.553 9.750 29.474 1.00 34.03 O ATOM 2121 CB ARG A 129 0.313 12.019 28.077 1.00 62.41 C ATOM 2122 CG ARG A 129 1.279 13.170 28.304 1.00 64.21 C ATOM 2123 CD ARG A 129 0.715 14.186 29.284 1.00 33.13 C ATOM 2124 NE ARG A 129 1.060 13.864 30.666 1.00 20.43 N ATOM 2125 CZ ARG A 129 0.785 14.656 31.696 1.00 31.24 C ATOM 2126 NH1 ARG A 129 0.163 15.811 31.501 1.00 24.44 N ATOM 2127 NH2 ARG A 129 1.131 14.293 32.925 1.00 41.01 N ATOM 0 H ARG A 129 2.438 10.773 28.127 1.00 64.12 H new ATOM 0 HA ARG A 129 0.472 11.178 30.048 1.00 32.14 H new ATOM 0 HB2 ARG A 129 0.404 11.678 27.046 1.00 62.41 H new ATOM 0 HB3 ARG A 129 -0.707 12.381 28.204 1.00 62.41 H new ATOM 0 HG2 ARG A 129 2.225 12.783 28.683 1.00 64.21 H new ATOM 0 HG3 ARG A 129 1.493 13.659 27.354 1.00 64.21 H new ATOM 0 HD2 ARG A 129 1.095 15.177 29.037 1.00 33.13 H new ATOM 0 HD3 ARG A 129 -0.369 14.226 29.181 1.00 33.13 H new ATOM 0 HE ARG A 129 1.539 12.982 30.850 1.00 20.43 H new ATOM 0 HH11 ARG A 129 -0.105 16.093 30.558 1.00 24.44 H new ATOM 0 HH12 ARG A 129 -0.047 16.417 32.294 1.00 24.44 H new ATOM 0 HH21 ARG A 129 1.609 13.405 33.079 1.00 41.01 H new ATOM 0 HH22 ARG A 129 0.919 14.902 33.715 1.00 41.01 H new ATOM 2141 N SER A 130 -0.297 8.900 27.812 1.00 5.43 N ATOM 2142 CA SER A 130 -1.245 7.842 27.488 1.00 73.32 C ATOM 2143 C SER A 130 -1.397 6.871 28.655 1.00 10.54 C ATOM 2144 O SER A 130 -2.494 6.683 29.183 1.00 71.22 O ATOM 2145 CB SER A 130 -0.791 7.086 26.238 1.00 63.03 C ATOM 2146 OG SER A 130 -1.872 6.392 25.640 1.00 60.11 O ATOM 0 H SER A 130 0.543 8.905 27.234 1.00 5.43 H new ATOM 0 HA SER A 130 -2.213 8.304 27.294 1.00 73.32 H new ATOM 0 HB2 SER A 130 -0.364 7.787 25.521 1.00 63.03 H new ATOM 0 HB3 SER A 130 -0.003 6.380 26.502 1.00 63.03 H new ATOM 0 HG SER A 130 -1.597 6.052 24.763 1.00 60.11 H new ATOM 2152 N LEU A 131 -0.288 6.258 29.054 1.00 13.24 N ATOM 2153 CA LEU A 131 -0.296 5.306 30.160 1.00 2.50 C ATOM 2154 C LEU A 131 -0.958 5.911 31.394 1.00 21.21 C ATOM 2155 O LEU A 131 -1.715 5.240 32.096 1.00 44.33 O ATOM 2156 CB LEU A 131 1.132 4.872 30.495 1.00 61.15 C ATOM 2157 CG LEU A 131 1.709 3.744 29.638 1.00 53.34 C ATOM 2158 CD1 LEU A 131 1.677 4.123 28.165 1.00 4.42 C ATOM 2159 CD2 LEU A 131 3.128 3.414 30.075 1.00 3.42 C ATOM 0 H LEU A 131 0.628 6.403 28.629 1.00 13.24 H new ATOM 0 HA LEU A 131 -0.872 4.433 29.852 1.00 2.50 H new ATOM 0 HB2 LEU A 131 1.785 5.740 30.405 1.00 61.15 H new ATOM 0 HB3 LEU A 131 1.160 4.559 31.539 1.00 61.15 H new ATOM 0 HG LEU A 131 1.092 2.856 29.777 1.00 53.34 H new ATOM 0 HD11 LEU A 131 2.091 3.309 27.571 1.00 4.42 H new ATOM 0 HD12 LEU A 131 0.647 4.308 27.859 1.00 4.42 H new ATOM 0 HD13 LEU A 131 2.269 5.024 28.008 1.00 4.42 H new ATOM 0 HD21 LEU A 131 3.522 2.609 29.454 1.00 3.42 H new ATOM 0 HD22 LEU A 131 3.757 4.298 29.966 1.00 3.42 H new ATOM 0 HD23 LEU A 131 3.123 3.098 31.118 1.00 3.42 H new ATOM 2171 N ALA A 132 -0.669 7.182 31.651 1.00 11.25 N ATOM 2172 CA ALA A 132 -1.240 7.878 32.798 1.00 3.30 C ATOM 2173 C ALA A 132 -2.759 7.955 32.693 1.00 10.41 C ATOM 2174 O ALA A 132 -3.462 7.936 33.703 1.00 71.42 O ATOM 2175 CB ALA A 132 -0.645 9.274 32.918 1.00 74.25 C ATOM 0 H ALA A 132 -0.043 7.751 31.081 1.00 11.25 H new ATOM 0 HA ALA A 132 -0.993 7.311 33.696 1.00 3.30 H new ATOM 0 HB1 ALA A 132 -1.080 9.782 33.778 1.00 74.25 H new ATOM 0 HB2 ALA A 132 0.435 9.199 33.048 1.00 74.25 H new ATOM 0 HB3 ALA A 132 -0.863 9.841 32.013 1.00 74.25 H new ATOM 2181 N ALA A 133 -3.259 8.044 31.465 1.00 41.11 N ATOM 2182 CA ALA A 133 -4.695 8.123 31.229 1.00 71.15 C ATOM 2183 C ALA A 133 -5.404 6.871 31.735 1.00 52.43 C ATOM 2184 O ALA A 133 -6.573 6.921 32.118 1.00 64.23 O ATOM 2185 CB ALA A 133 -4.976 8.328 29.747 1.00 3.33 C ATOM 0 H ALA A 133 -2.691 8.063 30.618 1.00 41.11 H new ATOM 0 HA ALA A 133 -5.083 8.978 31.783 1.00 71.15 H new ATOM 0 HB1 ALA A 133 -6.052 8.385 29.585 1.00 3.33 H new ATOM 0 HB2 ALA A 133 -4.509 9.255 29.413 1.00 3.33 H new ATOM 0 HB3 ALA A 133 -4.568 7.491 29.180 1.00 3.33 H new ATOM 2191 N ALA A 134 -4.690 5.751 31.733 1.00 71.44 N ATOM 2192 CA ALA A 134 -5.251 4.487 32.193 1.00 73.51 C ATOM 2193 C ALA A 134 -4.975 4.271 33.677 1.00 12.41 C ATOM 2194 O ALA A 134 -5.664 3.495 34.341 1.00 3.21 O ATOM 2195 CB ALA A 134 -4.690 3.332 31.377 1.00 62.41 C ATOM 0 H ALA A 134 -3.722 5.693 31.418 1.00 71.44 H new ATOM 0 HA ALA A 134 -6.331 4.526 32.053 1.00 73.51 H new ATOM 0 HB1 ALA A 134 -5.118 2.394 31.732 1.00 62.41 H new ATOM 0 HB2 ALA A 134 -4.944 3.472 30.326 1.00 62.41 H new ATOM 0 HB3 ALA A 134 -3.606 3.301 31.488 1.00 62.41 H new ATOM 2201 N LEU A 135 -3.964 4.962 34.192 1.00 12.21 N ATOM 2202 CA LEU A 135 -3.596 4.846 35.599 1.00 13.21 C ATOM 2203 C LEU A 135 -4.810 5.058 36.498 1.00 1.45 C ATOM 2204 O LEU A 135 -4.894 4.490 37.586 1.00 35.33 O ATOM 2205 CB LEU A 135 -2.506 5.861 35.947 1.00 41.12 C ATOM 2206 CG LEU A 135 -1.972 5.809 37.379 1.00 73.22 C ATOM 2207 CD1 LEU A 135 -0.779 4.870 37.470 1.00 51.40 C ATOM 2208 CD2 LEU A 135 -1.595 7.203 37.858 1.00 22.25 C ATOM 0 H LEU A 135 -3.384 5.608 33.657 1.00 12.21 H new ATOM 0 HA LEU A 135 -3.213 3.839 35.767 1.00 13.21 H new ATOM 0 HB2 LEU A 135 -1.670 5.715 35.263 1.00 41.12 H new ATOM 0 HB3 LEU A 135 -2.897 6.862 35.763 1.00 41.12 H new ATOM 0 HG LEU A 135 -2.760 5.425 38.027 1.00 73.22 H new ATOM 0 HD11 LEU A 135 -0.412 4.846 38.496 1.00 51.40 H new ATOM 0 HD12 LEU A 135 -1.082 3.867 37.169 1.00 51.40 H new ATOM 0 HD13 LEU A 135 0.013 5.223 36.810 1.00 51.40 H new ATOM 0 HD21 LEU A 135 -1.217 7.147 38.879 1.00 22.25 H new ATOM 0 HD22 LEU A 135 -0.824 7.615 37.207 1.00 22.25 H new ATOM 0 HD23 LEU A 135 -2.474 7.847 37.831 1.00 22.25 H new ATOM 2220 N GLU A 136 -5.747 5.879 36.035 1.00 74.01 N ATOM 2221 CA GLU A 136 -6.957 6.164 36.798 1.00 41.43 C ATOM 2222 C GLU A 136 -7.730 4.882 37.091 1.00 14.11 C ATOM 2223 O GLU A 136 -7.953 4.061 36.201 1.00 73.30 O ATOM 2224 CB GLU A 136 -7.848 7.147 36.035 1.00 43.12 C ATOM 2225 CG GLU A 136 -8.863 7.858 36.914 1.00 22.54 C ATOM 2226 CD GLU A 136 -8.220 8.571 38.088 1.00 21.52 C ATOM 2227 OE1 GLU A 136 -7.837 9.749 37.930 1.00 33.53 O ATOM 2228 OE2 GLU A 136 -8.100 7.950 39.165 1.00 21.42 O ATOM 0 H GLU A 136 -5.692 6.358 35.136 1.00 74.01 H new ATOM 0 HA GLU A 136 -6.661 6.614 37.746 1.00 41.43 H new ATOM 0 HB2 GLU A 136 -7.219 7.891 35.547 1.00 43.12 H new ATOM 0 HB3 GLU A 136 -8.376 6.610 35.247 1.00 43.12 H new ATOM 0 HG2 GLU A 136 -9.415 8.580 36.313 1.00 22.54 H new ATOM 0 HG3 GLU A 136 -9.587 7.133 37.286 1.00 22.54 H new ATOM 2235 N HIS A 137 -8.137 4.717 38.346 1.00 40.01 N ATOM 2236 CA HIS A 137 -8.886 3.535 38.758 1.00 63.02 C ATOM 2237 C HIS A 137 -10.188 3.930 39.448 1.00 24.23 C ATOM 2238 O HIS A 137 -10.386 5.092 39.804 1.00 51.13 O ATOM 2239 CB HIS A 137 -8.040 2.670 39.693 1.00 13.35 C ATOM 2240 CG HIS A 137 -7.069 1.785 38.976 1.00 63.40 C ATOM 2241 ND1 HIS A 137 -7.457 0.705 38.212 1.00 74.23 N ATOM 2242 CD2 HIS A 137 -5.717 1.825 38.908 1.00 35.33 C ATOM 2243 CE1 HIS A 137 -6.387 0.118 37.706 1.00 32.23 C ATOM 2244 NE2 HIS A 137 -5.318 0.778 38.114 1.00 54.44 N ATOM 0 H HIS A 137 -7.961 5.387 39.095 1.00 40.01 H new ATOM 0 HA HIS A 137 -9.130 2.959 37.865 1.00 63.02 H new ATOM 0 HB2 HIS A 137 -7.492 3.318 40.377 1.00 13.35 H new ATOM 0 HB3 HIS A 137 -8.701 2.052 40.301 1.00 13.35 H new ATOM 0 HD2 HIS A 137 -5.073 2.546 39.389 1.00 35.33 H new ATOM 0 HE1 HIS A 137 -6.386 -0.753 37.068 1.00 32.23 H new ATOM 0 HE2 HIS A 137 -4.353 0.547 37.878 1.00 54.44 H new ATOM 2252 N HIS A 138 -11.072 2.955 39.635 1.00 53.34 N ATOM 2253 CA HIS A 138 -12.356 3.201 40.283 1.00 43.54 C ATOM 2254 C HIS A 138 -12.159 3.611 41.739 1.00 12.01 C ATOM 2255 O HIS A 138 -12.933 4.400 42.281 1.00 12.55 O ATOM 2256 CB HIS A 138 -13.237 1.955 40.206 1.00 72.43 C ATOM 2257 CG HIS A 138 -13.580 1.549 38.805 1.00 13.03 C ATOM 2258 ND1 HIS A 138 -12.693 0.905 37.970 1.00 62.44 N ATOM 2259 CD2 HIS A 138 -14.723 1.698 38.095 1.00 1.22 C ATOM 2260 CE1 HIS A 138 -13.274 0.677 36.805 1.00 30.54 C ATOM 2261 NE2 HIS A 138 -14.507 1.148 36.856 1.00 42.03 N ATOM 0 H HIS A 138 -10.923 1.988 39.347 1.00 53.34 H new ATOM 0 HA HIS A 138 -12.850 4.018 39.757 1.00 43.54 H new ATOM 0 HB2 HIS A 138 -12.727 1.128 40.700 1.00 72.43 H new ATOM 0 HB3 HIS A 138 -14.159 2.137 40.759 1.00 72.43 H new ATOM 0 HD2 HIS A 138 -15.635 2.163 38.439 1.00 1.22 H new ATOM 0 HE1 HIS A 138 -12.818 0.189 35.956 1.00 30.54 H new ATOM 0 HE2 HIS A 138 -15.188 1.109 36.098 1.00 42.03 H new TER 2269 HIS A 138