USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1007 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 86 SER OG : rot 68:sc= 0.973 USER MOD Set 1.2: A 99 CYS SG : rot 22:sc= -3.28! USER MOD Set 2.1: A 27 GLN : amide:sc= -5.37! C(o=-4!,f=-13!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -141:sc= 1.33 (180deg=-1.93!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0994 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc=0.000912 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 61:sc= 1.18 USER MOD Single : A 13 THR OG1 : rot 42:sc= 0.742 USER MOD Single : A 14 THR OG1 : rot -1:sc= -0.474! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000396 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.0016) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 130:sc= -2.31 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.99! USER MOD Single : A 42 HIS : no HD1:sc= 0.0491 K(o=0.049,f=-0.78) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -20:sc= 0.715! USER MOD Single : A 48 ASN : amide:sc= -3.8! K(o=-3.8!,f=-3.1) USER MOD Single : A 50 GLN : amide:sc=-0.000126 X(o=-0.00013,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -4.7! K(o=-4.7!,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 41:sc= -1.98! USER MOD Single : A 57 SER OG : rot 61:sc= -1.47! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.56 USER MOD Single : A 70 TYR OH : rot 180:sc= -2.05 USER MOD Single : A 71 SER OG : rot -52:sc= 1.21 USER MOD Single : A 72 MET CE :methyl -141:sc= -7.82! (180deg=-11.7!) USER MOD Single : A 75 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.3) USER MOD Single : A 76 ASN : amide:sc= -3.16! C(o=-3.2!,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 151:sc= -1.36 USER MOD Single : A 87 SER OG : rot 180:sc= -0.422 USER MOD Single : A 88 LYS NZ :NH3+ 137:sc= -1.03 (180deg=-3.49!) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.679) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0653) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 0:sc= 0.326! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 106 THR OG1 : rot 16:sc= 0.0998 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.914 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0408) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.939 -26.702 42.028 1.00 0.00 N ATOM 2 CA GLY A 1 -24.982 -26.452 41.047 1.00 0.00 C ATOM 3 C GLY A 1 -24.493 -25.492 39.961 1.00 0.00 C ATOM 4 O GLY A 1 -23.529 -24.755 40.166 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.576 -27.669 41.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.164 -26.022 41.892 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.330 -26.594 42.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.292 -27.393 40.593 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.858 -26.032 41.541 1.00 0.00 H new ATOM 8 N SER A 2 -25.180 -25.531 38.829 1.00 0.00 N ATOM 9 CA SER A 2 -24.828 -24.674 37.710 1.00 0.00 C ATOM 10 C SER A 2 -25.932 -24.714 36.652 1.00 0.00 C ATOM 11 O SER A 2 -26.852 -25.527 36.740 1.00 0.00 O ATOM 12 CB SER A 2 -23.490 -25.090 37.096 1.00 0.00 C ATOM 13 OG SER A 2 -22.832 -23.999 36.458 1.00 0.00 O ATOM 0 H SER A 2 -25.979 -26.143 38.663 1.00 0.00 H new ATOM 0 HA SER A 2 -24.725 -23.654 38.081 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.845 -25.497 37.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.656 -25.887 36.371 1.00 0.00 H new ATOM 0 HG SER A 2 -21.981 -24.306 36.081 1.00 0.00 H new ATOM 19 N SER A 3 -25.806 -23.827 35.675 1.00 0.00 N ATOM 20 CA SER A 3 -26.782 -23.752 34.602 1.00 0.00 C ATOM 21 C SER A 3 -26.141 -23.139 33.355 1.00 0.00 C ATOM 22 O SER A 3 -26.085 -23.776 32.304 1.00 0.00 O ATOM 23 CB SER A 3 -28.005 -22.936 35.026 1.00 0.00 C ATOM 24 OG SER A 3 -29.121 -23.768 35.330 1.00 0.00 O ATOM 0 H SER A 3 -25.042 -23.154 35.605 1.00 0.00 H new ATOM 0 HA SER A 3 -27.116 -24.764 34.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.754 -22.333 35.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.275 -22.245 34.227 1.00 0.00 H new ATOM 0 HG SER A 3 -28.828 -24.516 35.892 1.00 0.00 H new ATOM 30 N GLY A 4 -25.675 -21.909 33.512 1.00 0.00 N ATOM 31 CA GLY A 4 -25.040 -21.202 32.412 1.00 0.00 C ATOM 32 C GLY A 4 -26.056 -20.868 31.317 1.00 0.00 C ATOM 33 O GLY A 4 -27.035 -20.167 31.567 1.00 0.00 O ATOM 0 H GLY A 4 -25.724 -21.383 34.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.582 -20.284 32.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.239 -21.813 31.996 1.00 0.00 H new ATOM 37 N SER A 5 -25.787 -21.386 30.127 1.00 0.00 N ATOM 38 CA SER A 5 -26.665 -21.151 28.994 1.00 0.00 C ATOM 39 C SER A 5 -26.589 -19.683 28.568 1.00 0.00 C ATOM 40 O SER A 5 -26.715 -18.786 29.400 1.00 0.00 O ATOM 41 CB SER A 5 -28.108 -21.534 29.326 1.00 0.00 C ATOM 42 OG SER A 5 -28.862 -21.840 28.156 1.00 0.00 O ATOM 0 H SER A 5 -24.974 -21.967 29.924 1.00 0.00 H new ATOM 0 HA SER A 5 -26.332 -21.780 28.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.110 -22.395 29.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.587 -20.714 29.862 1.00 0.00 H new ATOM 0 HG SER A 5 -29.777 -22.081 28.410 1.00 0.00 H new ATOM 48 N SER A 6 -26.385 -19.485 27.274 1.00 0.00 N ATOM 49 CA SER A 6 -26.292 -18.142 26.729 1.00 0.00 C ATOM 50 C SER A 6 -25.969 -18.205 25.235 1.00 0.00 C ATOM 51 O SER A 6 -25.566 -19.250 24.727 1.00 0.00 O ATOM 52 CB SER A 6 -25.232 -17.320 27.466 1.00 0.00 C ATOM 53 OG SER A 6 -25.803 -16.504 28.485 1.00 0.00 O ATOM 0 H SER A 6 -26.282 -20.232 26.587 1.00 0.00 H new ATOM 0 HA SER A 6 -27.255 -17.650 26.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.496 -17.991 27.909 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.701 -16.690 26.752 1.00 0.00 H new ATOM 0 HG SER A 6 -26.245 -17.072 29.150 1.00 0.00 H new ATOM 59 N GLY A 7 -26.160 -17.073 24.572 1.00 0.00 N ATOM 60 CA GLY A 7 -25.894 -16.987 23.146 1.00 0.00 C ATOM 61 C GLY A 7 -26.440 -15.681 22.565 1.00 0.00 C ATOM 62 O GLY A 7 -27.639 -15.418 22.639 1.00 0.00 O ATOM 0 H GLY A 7 -26.496 -16.208 24.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.820 -17.048 22.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.350 -17.835 22.635 1.00 0.00 H new ATOM 66 N VAL A 8 -25.533 -14.898 22.000 1.00 0.00 N ATOM 67 CA VAL A 8 -25.909 -13.626 21.406 1.00 0.00 C ATOM 68 C VAL A 8 -25.285 -13.513 20.014 1.00 0.00 C ATOM 69 O VAL A 8 -24.232 -14.093 19.753 1.00 0.00 O ATOM 70 CB VAL A 8 -25.510 -12.477 22.335 1.00 0.00 C ATOM 71 CG1 VAL A 8 -23.989 -12.317 22.387 1.00 0.00 C ATOM 72 CG2 VAL A 8 -26.184 -11.170 21.911 1.00 0.00 C ATOM 0 H VAL A 8 -24.539 -15.119 21.941 1.00 0.00 H new ATOM 0 HA VAL A 8 -26.990 -13.567 21.283 1.00 0.00 H new ATOM 0 HB VAL A 8 -25.856 -12.722 23.339 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -23.732 -11.494 23.054 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.539 -13.238 22.757 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -23.611 -12.105 21.387 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -25.884 -10.370 22.587 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -25.882 -10.918 20.894 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -27.267 -11.290 21.949 1.00 0.00 H new ATOM 82 N VAL A 9 -25.961 -12.764 19.156 1.00 0.00 N ATOM 83 CA VAL A 9 -25.486 -12.568 17.797 1.00 0.00 C ATOM 84 C VAL A 9 -25.473 -11.072 17.476 1.00 0.00 C ATOM 85 O VAL A 9 -26.401 -10.349 17.835 1.00 0.00 O ATOM 86 CB VAL A 9 -26.341 -13.381 16.822 1.00 0.00 C ATOM 87 CG1 VAL A 9 -27.797 -12.915 16.849 1.00 0.00 C ATOM 88 CG2 VAL A 9 -25.769 -13.313 15.404 1.00 0.00 C ATOM 0 H VAL A 9 -26.834 -12.285 19.376 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.464 -12.931 17.694 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.317 -14.422 17.143 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -28.382 -13.509 16.147 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -28.200 -13.039 17.854 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.848 -11.864 16.565 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.395 -13.899 14.731 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.748 -12.276 15.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -24.756 -13.716 15.401 1.00 0.00 H new ATOM 98 N ALA A 10 -24.412 -10.653 16.803 1.00 0.00 N ATOM 99 CA ALA A 10 -24.265 -9.256 16.430 1.00 0.00 C ATOM 100 C ALA A 10 -23.938 -9.163 14.938 1.00 0.00 C ATOM 101 O ALA A 10 -23.394 -10.102 14.358 1.00 0.00 O ATOM 102 CB ALA A 10 -23.193 -8.604 17.304 1.00 0.00 C ATOM 0 H ALA A 10 -23.645 -11.256 16.506 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.196 -8.714 16.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.083 -7.556 17.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.487 -8.671 18.351 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -22.243 -9.120 17.160 1.00 0.00 H new ATOM 108 N PRO A 11 -24.293 -7.992 14.344 1.00 0.00 N ATOM 109 CA PRO A 11 -24.042 -7.764 12.931 1.00 0.00 C ATOM 110 C PRO A 11 -22.560 -7.486 12.675 1.00 0.00 C ATOM 111 O PRO A 11 -21.770 -7.394 13.614 1.00 0.00 O ATOM 112 CB PRO A 11 -24.940 -6.596 12.556 1.00 0.00 C ATOM 113 CG PRO A 11 -25.309 -5.917 13.865 1.00 0.00 C ATOM 114 CD PRO A 11 -24.939 -6.859 14.999 1.00 0.00 C ATOM 0 HA PRO A 11 -24.268 -8.636 12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.424 -5.905 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.830 -6.941 12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -24.779 -4.970 13.967 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.375 -5.690 13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.268 -6.378 15.711 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.821 -7.174 15.556 1.00 0.00 H new ATOM 122 N ILE A 12 -22.227 -7.358 11.399 1.00 0.00 N ATOM 123 CA ILE A 12 -20.853 -7.092 11.007 1.00 0.00 C ATOM 124 C ILE A 12 -20.436 -5.716 11.529 1.00 0.00 C ATOM 125 O ILE A 12 -20.819 -4.692 10.966 1.00 0.00 O ATOM 126 CB ILE A 12 -20.687 -7.252 9.495 1.00 0.00 C ATOM 127 CG1 ILE A 12 -21.671 -6.358 8.737 1.00 0.00 C ATOM 128 CG2 ILE A 12 -20.810 -8.720 9.082 1.00 0.00 C ATOM 129 CD1 ILE A 12 -20.946 -5.189 8.068 1.00 0.00 C ATOM 0 H ILE A 12 -22.885 -7.434 10.623 1.00 0.00 H new ATOM 0 HA ILE A 12 -20.180 -7.822 11.457 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.683 -6.925 9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -22.195 -6.945 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -22.426 -5.977 9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.688 -8.806 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -20.038 -9.305 9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.792 -9.097 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -21.668 -4.569 7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -20.444 -4.590 8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.209 -5.573 7.363 1.00 0.00 H new ATOM 141 N THR A 13 -19.656 -5.736 12.601 1.00 0.00 N ATOM 142 CA THR A 13 -19.183 -4.502 13.205 1.00 0.00 C ATOM 143 C THR A 13 -17.658 -4.515 13.318 1.00 0.00 C ATOM 144 O THR A 13 -17.098 -5.250 14.130 1.00 0.00 O ATOM 145 CB THR A 13 -19.891 -4.334 14.551 1.00 0.00 C ATOM 146 OG1 THR A 13 -19.590 -5.536 15.254 1.00 0.00 O ATOM 147 CG2 THR A 13 -21.415 -4.351 14.418 1.00 0.00 C ATOM 0 H THR A 13 -19.340 -6.587 13.066 1.00 0.00 H new ATOM 0 HA THR A 13 -19.424 -3.639 12.584 1.00 0.00 H new ATOM 0 HB THR A 13 -19.578 -3.397 15.011 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.651 -5.776 15.105 1.00 0.00 H new ATOM 0 HG21 THR A 13 -21.867 -4.228 15.402 1.00 0.00 H new ATOM 0 HG22 THR A 13 -21.733 -3.536 13.768 1.00 0.00 H new ATOM 0 HG23 THR A 13 -21.732 -5.301 13.989 1.00 0.00 H new ATOM 155 N THR A 14 -17.028 -3.692 12.492 1.00 0.00 N ATOM 156 CA THR A 14 -15.578 -3.600 12.488 1.00 0.00 C ATOM 157 C THR A 14 -14.954 -4.996 12.474 1.00 0.00 C ATOM 158 O THR A 14 -15.586 -5.958 12.038 1.00 0.00 O ATOM 159 CB THR A 14 -15.156 -2.758 13.694 1.00 0.00 C ATOM 160 OG1 THR A 14 -15.372 -3.617 14.810 1.00 0.00 O ATOM 161 CG2 THR A 14 -16.098 -1.578 13.944 1.00 0.00 C ATOM 0 H THR A 14 -17.496 -3.083 11.821 1.00 0.00 H new ATOM 0 HA THR A 14 -15.215 -3.108 11.585 1.00 0.00 H new ATOM 0 HB THR A 14 -14.143 -2.387 13.540 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.731 -4.474 14.499 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.753 -1.014 14.811 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.108 -0.928 13.069 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.105 -1.950 14.131 1.00 0.00 H new ATOM 169 N GLY A 15 -13.722 -5.064 12.956 1.00 0.00 N ATOM 170 CA GLY A 15 -13.006 -6.328 13.005 1.00 0.00 C ATOM 171 C GLY A 15 -11.553 -6.151 12.560 1.00 0.00 C ATOM 172 O GLY A 15 -11.007 -5.051 12.633 1.00 0.00 O ATOM 0 H GLY A 15 -13.201 -4.264 13.316 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.034 -6.727 14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.501 -7.056 12.362 1.00 0.00 H new ATOM 176 N TYR A 16 -10.967 -7.251 12.110 1.00 0.00 N ATOM 177 CA TYR A 16 -9.588 -7.232 11.654 1.00 0.00 C ATOM 178 C TYR A 16 -9.439 -6.376 10.395 1.00 0.00 C ATOM 179 O TYR A 16 -10.424 -5.854 9.874 1.00 0.00 O ATOM 180 CB TYR A 16 -9.236 -8.682 11.315 1.00 0.00 C ATOM 181 CG TYR A 16 -10.094 -9.287 10.202 1.00 0.00 C ATOM 182 CD1 TYR A 16 -9.984 -8.813 8.911 1.00 0.00 C ATOM 183 CD2 TYR A 16 -10.978 -10.307 10.490 1.00 0.00 C ATOM 184 CE1 TYR A 16 -10.792 -9.383 7.863 1.00 0.00 C ATOM 185 CE2 TYR A 16 -11.786 -10.876 9.443 1.00 0.00 C ATOM 186 CZ TYR A 16 -11.653 -10.386 8.181 1.00 0.00 C ATOM 187 OH TYR A 16 -12.416 -10.924 7.193 1.00 0.00 O ATOM 0 H TYR A 16 -11.423 -8.162 12.052 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.936 -6.812 12.420 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.188 -8.731 11.019 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.342 -9.290 12.213 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.292 -8.015 8.686 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.064 -10.678 11.501 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.715 -9.022 6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.482 -11.674 9.655 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.983 -11.631 7.566 1.00 0.00 H new ATOM 197 N THR A 17 -8.199 -6.257 9.942 1.00 0.00 N ATOM 198 CA THR A 17 -7.908 -5.472 8.754 1.00 0.00 C ATOM 199 C THR A 17 -7.793 -6.382 7.529 1.00 0.00 C ATOM 200 O THR A 17 -7.350 -7.525 7.640 1.00 0.00 O ATOM 201 CB THR A 17 -6.644 -4.655 9.025 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.564 -4.600 10.447 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.791 -3.191 8.604 1.00 0.00 C ATOM 0 H THR A 17 -7.385 -6.691 10.376 1.00 0.00 H new ATOM 0 HA THR A 17 -8.718 -4.778 8.530 1.00 0.00 H new ATOM 0 HB THR A 17 -5.803 -5.102 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.770 -4.089 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.866 -2.656 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.001 -3.139 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.611 -2.734 9.158 1.00 0.00 H new ATOM 211 N VAL A 18 -8.198 -5.842 6.390 1.00 0.00 N ATOM 212 CA VAL A 18 -8.145 -6.590 5.146 1.00 0.00 C ATOM 213 C VAL A 18 -6.700 -6.639 4.646 1.00 0.00 C ATOM 214 O VAL A 18 -5.915 -5.732 4.916 1.00 0.00 O ATOM 215 CB VAL A 18 -9.110 -5.981 4.127 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.843 -6.528 2.723 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.565 -6.217 4.540 1.00 0.00 C ATOM 0 H VAL A 18 -8.565 -4.894 6.302 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.469 -7.619 5.305 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.938 -4.905 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.543 -6.079 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.823 -6.285 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.973 -7.610 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.230 -5.774 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.756 -7.288 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.747 -5.757 5.511 1.00 0.00 H new ATOM 227 N LYS A 19 -6.393 -7.708 3.925 1.00 0.00 N ATOM 228 CA LYS A 19 -5.056 -7.887 3.384 1.00 0.00 C ATOM 229 C LYS A 19 -5.066 -7.554 1.891 1.00 0.00 C ATOM 230 O LYS A 19 -5.742 -8.218 1.107 1.00 0.00 O ATOM 231 CB LYS A 19 -4.535 -9.291 3.698 1.00 0.00 C ATOM 232 CG LYS A 19 -3.610 -9.793 2.588 1.00 0.00 C ATOM 233 CD LYS A 19 -2.907 -11.086 3.003 1.00 0.00 C ATOM 234 CE LYS A 19 -2.128 -11.688 1.832 1.00 0.00 C ATOM 235 NZ LYS A 19 -1.928 -13.140 2.034 1.00 0.00 N ATOM 0 H LYS A 19 -7.047 -8.459 3.703 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.357 -7.199 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.998 -9.280 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.374 -9.977 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.187 -9.964 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.867 -9.030 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.227 -10.885 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.643 -11.805 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.668 -11.515 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.162 -11.192 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.398 -13.533 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.393 -13.298 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.852 -13.612 2.102 1.00 0.00 H new ATOM 249 N ILE A 20 -4.307 -6.525 1.542 1.00 0.00 N ATOM 250 CA ILE A 20 -4.220 -6.096 0.156 1.00 0.00 C ATOM 251 C ILE A 20 -3.278 -7.032 -0.605 1.00 0.00 C ATOM 252 O ILE A 20 -2.061 -6.857 -0.570 1.00 0.00 O ATOM 253 CB ILE A 20 -3.818 -4.622 0.076 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.700 -3.763 0.985 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.833 -4.127 -1.372 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.430 -2.274 0.763 1.00 0.00 C ATOM 0 H ILE A 20 -3.747 -5.976 2.195 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.195 -6.164 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.794 -4.527 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.750 -3.979 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.512 -4.019 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.544 -3.077 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.130 -4.713 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.836 -4.238 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.070 -1.686 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.385 -2.057 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.643 -2.016 -0.275 1.00 0.00 H new ATOM 268 N SER A 21 -3.878 -8.007 -1.273 1.00 0.00 N ATOM 269 CA SER A 21 -3.108 -8.970 -2.041 1.00 0.00 C ATOM 270 C SER A 21 -2.856 -8.434 -3.452 1.00 0.00 C ATOM 271 O SER A 21 -1.761 -8.587 -3.991 1.00 0.00 O ATOM 272 CB SER A 21 -3.824 -10.321 -2.107 1.00 0.00 C ATOM 273 OG SER A 21 -5.154 -10.196 -2.605 1.00 0.00 O ATOM 0 H SER A 21 -4.888 -8.150 -1.298 1.00 0.00 H new ATOM 0 HA SER A 21 -2.152 -9.120 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.260 -11.000 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.849 -10.767 -1.113 1.00 0.00 H new ATOM 0 HG SER A 21 -5.577 -11.080 -2.634 1.00 0.00 H new ATOM 279 N ASN A 22 -3.887 -7.817 -4.009 1.00 0.00 N ATOM 280 CA ASN A 22 -3.791 -7.257 -5.346 1.00 0.00 C ATOM 281 C ASN A 22 -3.561 -5.748 -5.248 1.00 0.00 C ATOM 282 O ASN A 22 -4.385 -5.026 -4.690 1.00 0.00 O ATOM 283 CB ASN A 22 -5.083 -7.488 -6.134 1.00 0.00 C ATOM 284 CG ASN A 22 -4.793 -8.159 -7.478 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.338 -9.288 -7.552 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.082 -7.403 -8.533 1.00 0.00 N ATOM 0 H ASN A 22 -4.794 -7.692 -3.559 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.963 -7.748 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.762 -8.111 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.587 -6.536 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.925 -7.761 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.461 -6.465 -8.400 1.00 0.00 H new ATOM 293 N TYR A 23 -2.435 -5.316 -5.798 1.00 0.00 N ATOM 294 CA TYR A 23 -2.086 -3.906 -5.779 1.00 0.00 C ATOM 295 C TYR A 23 -1.276 -3.525 -7.020 1.00 0.00 C ATOM 296 O TYR A 23 -0.411 -4.282 -7.458 1.00 0.00 O ATOM 297 CB TYR A 23 -1.217 -3.704 -4.536 1.00 0.00 C ATOM 298 CG TYR A 23 -0.001 -4.630 -4.469 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.126 -4.344 -5.212 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.032 -5.752 -3.666 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.270 -5.216 -5.149 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.112 -6.624 -3.603 1.00 0.00 C ATOM 303 CZ TYR A 23 2.207 -6.313 -4.348 1.00 0.00 C ATOM 304 OH TYR A 23 3.288 -7.136 -4.288 1.00 0.00 O ATOM 0 H TYR A 23 -1.753 -5.918 -6.259 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.984 -3.288 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.875 -2.669 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.829 -3.861 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.150 -3.466 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.914 -5.976 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.158 -5.004 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.101 -7.505 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 23 3.101 -7.878 -3.676 1.00 0.00 H new ATOM 314 N GLY A 24 -1.586 -2.352 -7.552 1.00 0.00 N ATOM 315 CA GLY A 24 -0.898 -1.861 -8.734 1.00 0.00 C ATOM 316 C GLY A 24 0.304 -0.996 -8.349 1.00 0.00 C ATOM 317 O GLY A 24 0.170 -0.052 -7.572 1.00 0.00 O ATOM 0 H GLY A 24 -2.304 -1.727 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.565 -2.703 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.588 -1.280 -9.346 1.00 0.00 H new ATOM 321 N TRP A 25 1.451 -1.348 -8.912 1.00 0.00 N ATOM 322 CA TRP A 25 2.675 -0.615 -8.637 1.00 0.00 C ATOM 323 C TRP A 25 3.321 -0.255 -9.977 1.00 0.00 C ATOM 324 O TRP A 25 3.233 -1.019 -10.937 1.00 0.00 O ATOM 325 CB TRP A 25 3.602 -1.418 -7.723 1.00 0.00 C ATOM 326 CG TRP A 25 4.378 -2.525 -8.440 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.952 -3.753 -8.766 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.740 -2.453 -8.911 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.936 -4.476 -9.409 1.00 0.00 N ATOM 330 CE2 TRP A 25 6.058 -3.660 -9.500 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.673 -1.404 -8.842 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.310 -3.931 -10.065 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.919 -1.691 -9.411 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.255 -2.900 -10.007 1.00 0.00 C ATOM 0 H TRP A 25 1.558 -2.131 -9.557 1.00 0.00 H new ATOM 0 HA TRP A 25 2.460 0.306 -8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.312 -0.737 -7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.010 -1.863 -6.923 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.963 -4.130 -8.552 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.855 -5.433 -9.754 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.446 -0.452 -8.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.535 -4.884 -10.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.673 -0.918 -9.385 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.241 -3.044 -10.424 1.00 0.00 H new ATOM 345 N ASP A 26 3.956 0.907 -9.998 1.00 0.00 N ATOM 346 CA ASP A 26 4.617 1.377 -11.204 1.00 0.00 C ATOM 347 C ASP A 26 5.668 2.424 -10.829 1.00 0.00 C ATOM 348 O ASP A 26 5.394 3.329 -10.042 1.00 0.00 O ATOM 349 CB ASP A 26 3.618 2.031 -12.160 1.00 0.00 C ATOM 350 CG ASP A 26 2.168 1.571 -11.994 1.00 0.00 C ATOM 351 OD1 ASP A 26 1.903 0.398 -12.332 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.358 2.404 -11.533 1.00 0.00 O ATOM 0 H ASP A 26 4.027 1.537 -9.199 1.00 0.00 H new ATOM 0 HA ASP A 26 5.076 0.518 -11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.659 3.111 -12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.932 1.829 -13.184 1.00 0.00 H new ATOM 357 N GLN A 27 6.848 2.266 -11.411 1.00 0.00 N ATOM 358 CA GLN A 27 7.941 3.187 -11.148 1.00 0.00 C ATOM 359 C GLN A 27 8.742 3.439 -12.428 1.00 0.00 C ATOM 360 O GLN A 27 8.605 2.704 -13.405 1.00 0.00 O ATOM 361 CB GLN A 27 8.844 2.661 -10.031 1.00 0.00 C ATOM 362 CG GLN A 27 9.394 1.276 -10.376 1.00 0.00 C ATOM 363 CD GLN A 27 10.399 1.357 -11.527 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.109 2.334 -11.697 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.419 0.277 -12.304 1.00 0.00 N ATOM 0 H GLN A 27 7.071 1.514 -12.063 1.00 0.00 H new ATOM 0 HA GLN A 27 7.520 4.135 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.670 3.354 -9.870 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.283 2.611 -9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.874 0.843 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.574 0.613 -10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.797 -0.506 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.056 0.233 -13.099 1.00 0.00 H new ATOM 374 N SER A 28 9.560 4.480 -12.380 1.00 0.00 N ATOM 375 CA SER A 28 10.383 4.838 -13.523 1.00 0.00 C ATOM 376 C SER A 28 11.782 5.241 -13.054 1.00 0.00 C ATOM 377 O SER A 28 11.929 5.927 -12.044 1.00 0.00 O ATOM 378 CB SER A 28 9.745 5.972 -14.327 1.00 0.00 C ATOM 379 OG SER A 28 9.564 5.620 -15.696 1.00 0.00 O ATOM 0 H SER A 28 9.671 5.087 -11.568 1.00 0.00 H new ATOM 0 HA SER A 28 10.462 3.968 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.781 6.229 -13.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.373 6.861 -14.261 1.00 0.00 H new ATOM 0 HG SER A 28 9.153 6.370 -16.175 1.00 0.00 H new ATOM 385 N ASP A 29 12.776 4.797 -13.811 1.00 0.00 N ATOM 386 CA ASP A 29 14.158 5.104 -13.485 1.00 0.00 C ATOM 387 C ASP A 29 14.246 6.533 -12.946 1.00 0.00 C ATOM 388 O ASP A 29 14.396 7.482 -13.714 1.00 0.00 O ATOM 389 CB ASP A 29 15.049 5.010 -14.725 1.00 0.00 C ATOM 390 CG ASP A 29 14.566 4.031 -15.797 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.119 2.933 -15.401 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.656 4.402 -16.987 1.00 0.00 O ATOM 0 H ASP A 29 12.651 4.228 -14.648 1.00 0.00 H new ATOM 0 HA ASP A 29 14.497 4.383 -12.741 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.131 6.001 -15.171 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.051 4.717 -14.412 1.00 0.00 H new ATOM 397 N LYS A 30 14.150 6.641 -11.629 1.00 0.00 N ATOM 398 CA LYS A 30 14.217 7.939 -10.978 1.00 0.00 C ATOM 399 C LYS A 30 13.594 7.838 -9.585 1.00 0.00 C ATOM 400 O LYS A 30 14.196 8.263 -8.600 1.00 0.00 O ATOM 401 CB LYS A 30 13.580 9.014 -11.861 1.00 0.00 C ATOM 402 CG LYS A 30 14.648 9.802 -12.622 1.00 0.00 C ATOM 403 CD LYS A 30 14.898 11.162 -11.966 1.00 0.00 C ATOM 404 CE LYS A 30 14.762 12.295 -12.985 1.00 0.00 C ATOM 405 NZ LYS A 30 13.571 13.121 -12.686 1.00 0.00 N ATOM 0 H LYS A 30 14.026 5.852 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 30 15.254 8.245 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.893 8.549 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.991 9.694 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.576 9.231 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.332 9.945 -13.655 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.189 11.313 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.896 11.180 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.657 12.917 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.681 11.881 -13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.494 13.885 -13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.718 12.527 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.663 13.532 -11.735 1.00 0.00 H new ATOM 419 N PHE A 31 12.396 7.274 -9.546 1.00 0.00 N ATOM 420 CA PHE A 31 11.685 7.112 -8.290 1.00 0.00 C ATOM 421 C PHE A 31 10.765 5.890 -8.333 1.00 0.00 C ATOM 422 O PHE A 31 10.566 5.296 -9.392 1.00 0.00 O ATOM 423 CB PHE A 31 10.835 8.369 -8.092 1.00 0.00 C ATOM 424 CG PHE A 31 11.651 9.648 -7.896 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.534 9.740 -6.865 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.495 10.692 -8.752 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.291 10.927 -6.683 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.253 11.879 -8.571 1.00 0.00 C ATOM 429 CZ PHE A 31 13.135 11.972 -7.540 1.00 0.00 C ATOM 0 H PHE A 31 11.900 6.923 -10.365 1.00 0.00 H new ATOM 0 HA PHE A 31 12.396 6.969 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.184 8.495 -8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.190 8.226 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.659 8.910 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.794 10.619 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.991 11.001 -5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.129 12.708 -9.252 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.711 12.875 -7.402 1.00 0.00 H new ATOM 439 N VAL A 32 10.228 5.552 -7.170 1.00 0.00 N ATOM 440 CA VAL A 32 9.334 4.411 -7.063 1.00 0.00 C ATOM 441 C VAL A 32 7.999 4.870 -6.471 1.00 0.00 C ATOM 442 O VAL A 32 7.973 5.630 -5.504 1.00 0.00 O ATOM 443 CB VAL A 32 9.999 3.300 -6.248 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.978 2.239 -5.833 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.159 2.671 -7.023 1.00 0.00 C ATOM 0 H VAL A 32 10.394 6.048 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 32 9.127 3.993 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 32 10.405 3.747 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.476 1.461 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.200 2.701 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.529 1.798 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.614 1.884 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.786 2.245 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.904 3.435 -7.246 1.00 0.00 H new ATOM 455 N LYS A 33 6.924 4.387 -7.076 1.00 0.00 N ATOM 456 CA LYS A 33 5.589 4.738 -6.621 1.00 0.00 C ATOM 457 C LYS A 33 4.648 3.553 -6.852 1.00 0.00 C ATOM 458 O LYS A 33 4.849 2.768 -7.778 1.00 0.00 O ATOM 459 CB LYS A 33 5.120 6.034 -7.285 1.00 0.00 C ATOM 460 CG LYS A 33 3.600 6.183 -7.183 1.00 0.00 C ATOM 461 CD LYS A 33 3.172 7.627 -7.452 1.00 0.00 C ATOM 462 CE LYS A 33 3.489 8.034 -8.892 1.00 0.00 C ATOM 463 NZ LYS A 33 4.001 9.422 -8.938 1.00 0.00 N ATOM 0 H LYS A 33 6.950 3.756 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 33 5.592 4.939 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.605 6.887 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.420 6.039 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.117 5.517 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.267 5.880 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.103 7.734 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.683 8.296 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.228 7.353 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.592 7.951 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.211 9.682 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.283 10.070 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.869 9.491 -8.369 1.00 0.00 H new ATOM 477 N ILE A 34 3.642 3.462 -5.995 1.00 0.00 N ATOM 478 CA ILE A 34 2.670 2.386 -6.095 1.00 0.00 C ATOM 479 C ILE A 34 1.260 2.979 -6.109 1.00 0.00 C ATOM 480 O ILE A 34 1.025 4.044 -5.540 1.00 0.00 O ATOM 481 CB ILE A 34 2.894 1.358 -4.985 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.266 0.693 -5.121 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.760 0.331 -4.952 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.246 1.242 -4.083 1.00 0.00 C ATOM 0 H ILE A 34 3.479 4.115 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 34 2.797 1.843 -7.031 1.00 0.00 H new ATOM 0 HB ILE A 34 2.883 1.881 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.165 -0.385 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.659 0.863 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.944 -0.388 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.813 0.840 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.714 -0.191 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.213 0.753 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.363 2.316 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.862 1.048 -3.082 1.00 0.00 H new ATOM 496 N TYR A 35 0.358 2.263 -6.764 1.00 0.00 N ATOM 497 CA TYR A 35 -1.023 2.705 -6.859 1.00 0.00 C ATOM 498 C TYR A 35 -1.988 1.567 -6.516 1.00 0.00 C ATOM 499 O TYR A 35 -2.200 0.664 -7.323 1.00 0.00 O ATOM 500 CB TYR A 35 -1.235 3.114 -8.317 1.00 0.00 C ATOM 501 CG TYR A 35 -0.055 3.873 -8.929 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.147 3.227 -9.137 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.192 5.202 -9.271 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.257 3.940 -9.712 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.918 5.916 -9.847 1.00 0.00 C ATOM 506 CZ TYR A 35 2.088 5.250 -10.039 1.00 0.00 C ATOM 507 OH TYR A 35 3.137 5.924 -10.582 1.00 0.00 O ATOM 0 H TYR A 35 0.556 1.380 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.213 3.522 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.425 2.220 -8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.127 3.736 -8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.254 2.187 -8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.132 5.707 -9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.203 3.446 -9.880 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.823 6.957 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 35 2.843 6.387 -11.394 1.00 0.00 H new ATOM 517 N ILE A 36 -2.546 1.649 -5.317 1.00 0.00 N ATOM 518 CA ILE A 36 -3.483 0.638 -4.857 1.00 0.00 C ATOM 519 C ILE A 36 -4.911 1.166 -5.008 1.00 0.00 C ATOM 520 O ILE A 36 -5.152 2.364 -4.868 1.00 0.00 O ATOM 521 CB ILE A 36 -3.138 0.196 -3.434 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.779 -0.506 -3.392 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.250 -0.674 -2.845 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.737 0.358 -2.679 1.00 0.00 C ATOM 0 H ILE A 36 -2.367 2.400 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.408 -0.259 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.060 1.086 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.876 -1.463 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.445 -0.721 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.979 -0.975 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.180 -0.107 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.384 -1.562 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.220 -0.164 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.625 1.304 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.062 0.551 -1.657 1.00 0.00 H new ATOM 536 N THR A 37 -5.821 0.246 -5.291 1.00 0.00 N ATOM 537 CA THR A 37 -7.219 0.604 -5.462 1.00 0.00 C ATOM 538 C THR A 37 -7.972 0.460 -4.139 1.00 0.00 C ATOM 539 O THR A 37 -8.259 -0.654 -3.702 1.00 0.00 O ATOM 540 CB THR A 37 -7.794 -0.260 -6.586 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.307 0.350 -7.778 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.315 -0.137 -6.700 1.00 0.00 C ATOM 0 H THR A 37 -5.618 -0.747 -5.406 1.00 0.00 H new ATOM 0 HA THR A 37 -7.327 1.650 -5.749 1.00 0.00 H new ATOM 0 HB THR A 37 -7.526 -1.302 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.631 -0.149 -8.557 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.671 -0.770 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.777 -0.453 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.582 0.900 -6.904 1.00 0.00 H new ATOM 550 N LEU A 38 -8.271 1.602 -3.537 1.00 0.00 N ATOM 551 CA LEU A 38 -8.986 1.617 -2.272 1.00 0.00 C ATOM 552 C LEU A 38 -10.046 2.719 -2.303 1.00 0.00 C ATOM 553 O LEU A 38 -9.731 3.894 -2.116 1.00 0.00 O ATOM 554 CB LEU A 38 -8.005 1.739 -1.104 1.00 0.00 C ATOM 555 CG LEU A 38 -8.279 0.835 0.099 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.780 0.590 0.271 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.494 -0.474 -0.008 1.00 0.00 C ATOM 0 H LEU A 38 -8.031 2.524 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.511 0.674 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.002 1.524 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.004 2.774 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.931 1.347 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.947 -0.056 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.289 1.542 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.175 0.109 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.707 -1.098 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.788 -1.002 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.427 -0.256 -0.045 1.00 0.00 H new ATOM 569 N THR A 39 -11.281 2.303 -2.540 1.00 0.00 N ATOM 570 CA THR A 39 -12.389 3.241 -2.598 1.00 0.00 C ATOM 571 C THR A 39 -12.791 3.679 -1.188 1.00 0.00 C ATOM 572 O THR A 39 -13.182 2.853 -0.365 1.00 0.00 O ATOM 573 CB THR A 39 -13.528 2.579 -3.376 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.252 2.900 -4.737 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.882 3.238 -3.106 1.00 0.00 C ATOM 0 H THR A 39 -11.539 1.328 -2.694 1.00 0.00 H new ATOM 0 HA THR A 39 -12.107 4.155 -3.121 1.00 0.00 H new ATOM 0 HB THR A 39 -13.579 1.522 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.942 2.508 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.655 2.730 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.116 3.167 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.841 4.287 -3.399 1.00 0.00 H new ATOM 583 N GLY A 40 -12.680 4.978 -0.953 1.00 0.00 N ATOM 584 CA GLY A 40 -13.026 5.537 0.343 1.00 0.00 C ATOM 585 C GLY A 40 -11.782 6.050 1.069 1.00 0.00 C ATOM 586 O GLY A 40 -11.879 6.907 1.946 1.00 0.00 O ATOM 0 H GLY A 40 -12.355 5.660 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.738 6.352 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.519 4.778 0.951 1.00 0.00 H new ATOM 590 N VAL A 41 -10.640 5.504 0.677 1.00 0.00 N ATOM 591 CA VAL A 41 -9.377 5.896 1.280 1.00 0.00 C ATOM 592 C VAL A 41 -9.189 7.406 1.123 1.00 0.00 C ATOM 593 O VAL A 41 -8.388 8.013 1.833 1.00 0.00 O ATOM 594 CB VAL A 41 -8.232 5.084 0.672 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.969 5.507 -0.775 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.963 5.206 1.518 1.00 0.00 C ATOM 0 H VAL A 41 -10.563 4.793 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.380 5.678 2.348 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.531 4.036 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.151 4.915 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.867 5.345 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.701 6.563 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.165 4.619 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.660 6.252 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.159 4.834 2.524 1.00 0.00 H new ATOM 606 N HIS A 42 -9.940 7.970 0.188 1.00 0.00 N ATOM 607 CA HIS A 42 -9.866 9.397 -0.072 1.00 0.00 C ATOM 608 C HIS A 42 -10.866 10.134 0.821 1.00 0.00 C ATOM 609 O HIS A 42 -10.995 11.355 0.740 1.00 0.00 O ATOM 610 CB HIS A 42 -10.071 9.690 -1.559 1.00 0.00 C ATOM 611 CG HIS A 42 -11.519 9.715 -1.986 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.196 8.584 -2.409 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.411 10.745 -2.051 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.438 8.929 -2.712 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.570 10.269 -2.490 1.00 0.00 N ATOM 0 H HIS A 42 -10.603 7.464 -0.399 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.870 9.764 0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.617 10.652 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.543 8.936 -2.143 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.209 11.773 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.211 8.266 -3.072 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.419 10.815 -2.637 1.00 0.00 H new ATOM 623 N GLN A 43 -11.549 9.361 1.653 1.00 0.00 N ATOM 624 CA GLN A 43 -12.534 9.925 2.560 1.00 0.00 C ATOM 625 C GLN A 43 -12.080 9.752 4.011 1.00 0.00 C ATOM 626 O GLN A 43 -12.549 10.461 4.901 1.00 0.00 O ATOM 627 CB GLN A 43 -13.910 9.294 2.337 1.00 0.00 C ATOM 628 CG GLN A 43 -14.411 9.559 0.916 1.00 0.00 C ATOM 629 CD GLN A 43 -15.938 9.648 0.881 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.629 8.735 0.460 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.424 10.795 1.346 1.00 0.00 N ATOM 0 H GLN A 43 -11.440 8.349 1.718 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.622 10.991 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.854 8.220 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.620 9.698 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.980 10.488 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.074 8.762 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.789 11.518 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.432 10.951 1.365 1.00 0.00 H new ATOM 640 N VAL A 44 -11.172 8.806 4.205 1.00 0.00 N ATOM 641 CA VAL A 44 -10.650 8.531 5.532 1.00 0.00 C ATOM 642 C VAL A 44 -9.571 9.561 5.874 1.00 0.00 C ATOM 643 O VAL A 44 -8.940 10.124 4.981 1.00 0.00 O ATOM 644 CB VAL A 44 -10.145 7.089 5.608 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.257 6.100 5.251 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.923 6.888 4.709 1.00 0.00 C ATOM 0 H VAL A 44 -10.785 8.221 3.465 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.438 8.625 6.279 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.840 6.894 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.872 5.082 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.086 6.217 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.606 6.295 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.584 5.855 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.191 7.110 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.123 7.556 5.028 1.00 0.00 H new ATOM 656 N PRO A 45 -9.387 9.781 7.204 1.00 0.00 N ATOM 657 CA PRO A 45 -8.396 10.733 7.675 1.00 0.00 C ATOM 658 C PRO A 45 -6.982 10.164 7.539 1.00 0.00 C ATOM 659 O PRO A 45 -6.807 9.018 7.129 1.00 0.00 O ATOM 660 CB PRO A 45 -8.783 11.024 9.116 1.00 0.00 C ATOM 661 CG PRO A 45 -9.691 9.882 9.542 1.00 0.00 C ATOM 662 CD PRO A 45 -10.116 9.132 8.290 1.00 0.00 C ATOM 0 HA PRO A 45 -8.382 11.651 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.901 11.080 9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.296 11.982 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.169 9.215 10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.563 10.265 10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.865 8.073 8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.193 9.195 8.137 1.00 0.00 H new ATOM 670 N THR A 46 -6.009 10.992 7.890 1.00 0.00 N ATOM 671 CA THR A 46 -4.616 10.586 7.812 1.00 0.00 C ATOM 672 C THR A 46 -4.233 9.757 9.040 1.00 0.00 C ATOM 673 O THR A 46 -3.135 9.205 9.102 1.00 0.00 O ATOM 674 CB THR A 46 -3.765 11.846 7.640 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.425 11.364 7.650 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.838 12.772 8.856 1.00 0.00 C ATOM 0 H THR A 46 -6.158 11.942 8.229 1.00 0.00 H new ATOM 0 HA THR A 46 -4.440 9.938 6.953 1.00 0.00 H new ATOM 0 HB THR A 46 -4.092 12.387 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.399 10.477 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.217 13.650 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.870 13.083 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.479 12.243 9.739 1.00 0.00 H new ATOM 684 N GLU A 47 -5.159 9.696 9.985 1.00 0.00 N ATOM 685 CA GLU A 47 -4.931 8.944 11.207 1.00 0.00 C ATOM 686 C GLU A 47 -5.267 7.467 10.992 1.00 0.00 C ATOM 687 O GLU A 47 -4.793 6.605 11.730 1.00 0.00 O ATOM 688 CB GLU A 47 -5.740 9.527 12.368 1.00 0.00 C ATOM 689 CG GLU A 47 -7.137 8.906 12.429 1.00 0.00 C ATOM 690 CD GLU A 47 -7.970 9.537 13.547 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.625 10.562 13.257 1.00 0.00 O ATOM 692 OE2 GLU A 47 -7.932 8.981 14.665 1.00 0.00 O ATOM 0 H GLU A 47 -6.068 10.155 9.929 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.875 9.022 11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.217 9.347 13.307 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.823 10.608 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.642 9.043 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.054 7.832 12.594 1.00 0.00 H new ATOM 699 N ASN A 48 -6.083 7.221 9.977 1.00 0.00 N ATOM 700 CA ASN A 48 -6.488 5.863 9.655 1.00 0.00 C ATOM 701 C ASN A 48 -5.477 5.251 8.684 1.00 0.00 C ATOM 702 O ASN A 48 -5.424 4.032 8.525 1.00 0.00 O ATOM 703 CB ASN A 48 -7.862 5.843 8.983 1.00 0.00 C ATOM 704 CG ASN A 48 -8.973 6.122 9.997 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.735 6.343 11.173 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.198 6.098 9.478 1.00 0.00 N ATOM 0 H ASN A 48 -6.474 7.939 9.367 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.533 5.295 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.893 6.590 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.028 4.873 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.008 6.271 10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.327 5.907 8.484 1.00 0.00 H new ATOM 713 N VAL A 49 -4.700 6.124 8.060 1.00 0.00 N ATOM 714 CA VAL A 49 -3.694 5.684 7.109 1.00 0.00 C ATOM 715 C VAL A 49 -2.305 5.857 7.726 1.00 0.00 C ATOM 716 O VAL A 49 -1.823 6.979 7.876 1.00 0.00 O ATOM 717 CB VAL A 49 -3.859 6.438 5.787 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.914 5.884 4.719 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.311 6.396 5.309 1.00 0.00 C ATOM 0 H VAL A 49 -4.747 7.134 8.195 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.819 4.625 6.882 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.594 7.481 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.051 6.437 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.883 5.990 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.134 4.830 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.400 6.939 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.615 5.360 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.954 6.859 6.057 1.00 0.00 H new ATOM 729 N GLN A 50 -1.700 4.729 8.068 1.00 0.00 N ATOM 730 CA GLN A 50 -0.375 4.741 8.665 1.00 0.00 C ATOM 731 C GLN A 50 0.608 3.959 7.793 1.00 0.00 C ATOM 732 O GLN A 50 0.515 2.737 7.689 1.00 0.00 O ATOM 733 CB GLN A 50 -0.411 4.181 10.089 1.00 0.00 C ATOM 734 CG GLN A 50 -0.477 5.309 11.120 1.00 0.00 C ATOM 735 CD GLN A 50 -0.356 4.759 12.543 1.00 0.00 C ATOM 736 OE1 GLN A 50 0.624 4.132 12.912 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.402 5.027 13.318 1.00 0.00 N ATOM 0 H GLN A 50 -2.103 3.800 7.943 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.034 5.775 8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.275 3.527 10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.476 3.572 10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.324 6.024 10.933 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.418 5.849 11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.190 5.557 12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.417 4.703 14.285 1.00 0.00 H new ATOM 746 N VAL A 51 1.529 4.696 7.188 1.00 0.00 N ATOM 747 CA VAL A 51 2.529 4.086 6.328 1.00 0.00 C ATOM 748 C VAL A 51 3.922 4.528 6.779 1.00 0.00 C ATOM 749 O VAL A 51 4.144 5.706 7.056 1.00 0.00 O ATOM 750 CB VAL A 51 2.238 4.427 4.865 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.602 5.813 4.741 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.507 4.328 4.016 1.00 0.00 C ATOM 0 H VAL A 51 1.603 5.709 7.277 1.00 0.00 H new ATOM 0 HA VAL A 51 2.491 3.000 6.409 1.00 0.00 H new ATOM 0 HB VAL A 51 1.524 3.696 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.405 6.031 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.665 5.835 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.282 6.563 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.272 4.575 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.254 5.025 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.900 3.313 4.066 1.00 0.00 H new ATOM 762 N HIS A 52 4.824 3.560 6.840 1.00 0.00 N ATOM 763 CA HIS A 52 6.190 3.835 7.254 1.00 0.00 C ATOM 764 C HIS A 52 7.159 3.366 6.167 1.00 0.00 C ATOM 765 O HIS A 52 7.058 2.239 5.684 1.00 0.00 O ATOM 766 CB HIS A 52 6.481 3.209 8.619 1.00 0.00 C ATOM 767 CG HIS A 52 7.930 3.290 9.035 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.327 3.719 10.290 1.00 0.00 N ATOM 769 CD2 HIS A 52 9.072 2.990 8.352 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.650 3.677 10.347 1.00 0.00 C ATOM 771 NE2 HIS A 52 10.110 3.226 9.145 1.00 0.00 N ATOM 0 H HIS A 52 4.636 2.584 6.610 1.00 0.00 H new ATOM 0 HA HIS A 52 6.328 4.909 7.376 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.869 3.705 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.177 2.162 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.123 2.623 7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.258 3.952 11.196 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.090 3.092 8.896 1.00 0.00 H new ATOM 779 N PHE A 53 8.078 4.253 5.815 1.00 0.00 N ATOM 780 CA PHE A 53 9.065 3.944 4.794 1.00 0.00 C ATOM 781 C PHE A 53 10.409 3.575 5.426 1.00 0.00 C ATOM 782 O PHE A 53 10.791 4.134 6.452 1.00 0.00 O ATOM 783 CB PHE A 53 9.242 5.205 3.947 1.00 0.00 C ATOM 784 CG PHE A 53 8.031 5.545 3.076 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.648 4.699 2.083 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.337 6.694 3.296 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.524 5.015 1.275 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.213 7.010 2.488 1.00 0.00 C ATOM 789 CZ PHE A 53 5.830 6.164 1.495 1.00 0.00 C ATOM 0 H PHE A 53 8.160 5.186 6.219 1.00 0.00 H new ATOM 0 HA PHE A 53 8.730 3.097 4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.450 6.047 4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.114 5.080 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.199 3.786 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.641 7.366 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.220 4.343 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.662 7.923 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.975 6.404 0.881 1.00 0.00 H new ATOM 799 N THR A 54 11.089 2.634 4.786 1.00 0.00 N ATOM 800 CA THR A 54 12.382 2.184 5.272 1.00 0.00 C ATOM 801 C THR A 54 13.429 2.269 4.160 1.00 0.00 C ATOM 802 O THR A 54 13.195 2.899 3.129 1.00 0.00 O ATOM 803 CB THR A 54 12.209 0.772 5.836 1.00 0.00 C ATOM 804 OG1 THR A 54 11.230 0.177 4.989 1.00 0.00 O ATOM 805 CG2 THR A 54 11.556 0.771 7.220 1.00 0.00 C ATOM 0 H THR A 54 10.768 2.171 3.935 1.00 0.00 H new ATOM 0 HA THR A 54 12.750 2.827 6.072 1.00 0.00 H new ATOM 0 HB THR A 54 13.181 0.282 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.403 0.434 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.456 -0.255 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.176 1.337 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.570 1.231 7.157 1.00 0.00 H new ATOM 813 N GLU A 55 14.561 1.628 4.406 1.00 0.00 N ATOM 814 CA GLU A 55 15.645 1.623 3.439 1.00 0.00 C ATOM 815 C GLU A 55 15.312 0.691 2.272 1.00 0.00 C ATOM 816 O GLU A 55 15.570 1.021 1.116 1.00 0.00 O ATOM 817 CB GLU A 55 16.967 1.226 4.098 1.00 0.00 C ATOM 818 CG GLU A 55 17.244 -0.268 3.916 1.00 0.00 C ATOM 819 CD GLU A 55 18.429 -0.715 4.773 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.285 -0.662 6.013 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.454 -1.099 4.168 1.00 0.00 O ATOM 0 H GLU A 55 14.752 1.108 5.262 1.00 0.00 H new ATOM 0 HA GLU A 55 15.761 2.634 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.782 1.806 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.934 1.467 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.358 -0.841 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.450 -0.478 2.866 1.00 0.00 H new ATOM 828 N ARG A 56 14.743 -0.455 2.617 1.00 0.00 N ATOM 829 CA ARG A 56 14.372 -1.438 1.612 1.00 0.00 C ATOM 830 C ARG A 56 13.036 -2.089 1.976 1.00 0.00 C ATOM 831 O ARG A 56 12.927 -3.314 2.006 1.00 0.00 O ATOM 832 CB ARG A 56 15.442 -2.523 1.481 1.00 0.00 C ATOM 833 CG ARG A 56 16.774 -1.926 1.022 1.00 0.00 C ATOM 834 CD ARG A 56 17.109 -2.367 -0.405 1.00 0.00 C ATOM 835 NE ARG A 56 18.221 -3.344 -0.385 1.00 0.00 N ATOM 836 CZ ARG A 56 18.584 -4.090 -1.437 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.925 -3.976 -2.599 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.605 -4.950 -1.328 1.00 0.00 N ATOM 0 H ARG A 56 14.530 -0.725 3.577 1.00 0.00 H new ATOM 0 HA ARG A 56 14.280 -0.919 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.575 -3.025 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.113 -3.279 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.724 -0.838 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.569 -2.238 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.231 -2.813 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.385 -1.501 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 56 18.743 -3.456 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.147 -3.321 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.201 -4.544 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.106 -5.037 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.881 -5.518 -2.129 1.00 0.00 H new ATOM 852 N SER A 57 12.054 -1.242 2.244 1.00 0.00 N ATOM 853 CA SER A 57 10.730 -1.720 2.604 1.00 0.00 C ATOM 854 C SER A 57 9.799 -0.535 2.867 1.00 0.00 C ATOM 855 O SER A 57 10.242 0.612 2.899 1.00 0.00 O ATOM 856 CB SER A 57 10.789 -2.631 3.832 1.00 0.00 C ATOM 857 OG SER A 57 11.321 -3.916 3.519 1.00 0.00 O ATOM 0 H SER A 57 12.148 -0.227 2.219 1.00 0.00 H new ATOM 0 HA SER A 57 10.339 -2.303 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.402 -2.162 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.788 -2.745 4.247 1.00 0.00 H new ATOM 0 HG SER A 57 12.233 -3.817 3.175 1.00 0.00 H new ATOM 863 N PHE A 58 8.525 -0.853 3.049 1.00 0.00 N ATOM 864 CA PHE A 58 7.528 0.172 3.308 1.00 0.00 C ATOM 865 C PHE A 58 6.185 -0.454 3.689 1.00 0.00 C ATOM 866 O PHE A 58 5.670 -1.312 2.974 1.00 0.00 O ATOM 867 CB PHE A 58 7.357 0.967 2.012 1.00 0.00 C ATOM 868 CG PHE A 58 6.104 0.595 1.215 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.871 0.830 1.738 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.224 0.031 -0.016 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.709 0.485 0.999 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.062 -0.314 -0.756 1.00 0.00 C ATOM 873 CZ PHE A 58 3.829 -0.079 -0.233 1.00 0.00 C ATOM 0 H PHE A 58 8.161 -1.805 3.022 1.00 0.00 H new ATOM 0 HA PHE A 58 7.851 0.805 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.321 2.030 2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.234 0.812 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.776 1.279 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.203 -0.155 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.730 0.670 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.158 -0.763 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.945 -0.340 -0.796 1.00 0.00 H new ATOM 883 N ASP A 59 5.656 -0.001 4.816 1.00 0.00 N ATOM 884 CA ASP A 59 4.384 -0.506 5.302 1.00 0.00 C ATOM 885 C ASP A 59 3.307 0.562 5.103 1.00 0.00 C ATOM 886 O ASP A 59 3.603 1.756 5.110 1.00 0.00 O ATOM 887 CB ASP A 59 4.454 -0.834 6.795 1.00 0.00 C ATOM 888 CG ASP A 59 5.153 0.220 7.656 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.401 0.257 7.606 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.422 0.965 8.345 1.00 0.00 O ATOM 0 H ASP A 59 6.086 0.711 5.407 1.00 0.00 H new ATOM 0 HA ASP A 59 4.147 -1.412 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.440 -0.973 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.972 -1.785 6.919 1.00 0.00 H new ATOM 895 N LEU A 60 2.079 0.095 4.931 1.00 0.00 N ATOM 896 CA LEU A 60 0.956 0.995 4.731 1.00 0.00 C ATOM 897 C LEU A 60 -0.300 0.384 5.355 1.00 0.00 C ATOM 898 O LEU A 60 -0.760 -0.672 4.925 1.00 0.00 O ATOM 899 CB LEU A 60 0.802 1.337 3.247 1.00 0.00 C ATOM 900 CG LEU A 60 -0.180 2.464 2.918 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.944 2.164 1.626 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.122 2.731 4.092 1.00 0.00 C ATOM 0 H LEU A 60 1.837 -0.896 4.926 1.00 0.00 H new ATOM 0 HA LEU A 60 1.133 1.944 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.781 1.609 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.484 0.438 2.718 1.00 0.00 H new ATOM 0 HG LEU A 60 0.391 3.377 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.635 2.980 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.239 2.063 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.503 1.235 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.809 3.536 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.690 1.828 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.540 3.020 4.967 1.00 0.00 H new ATOM 914 N LEU A 61 -0.819 1.075 6.359 1.00 0.00 N ATOM 915 CA LEU A 61 -2.013 0.614 7.047 1.00 0.00 C ATOM 916 C LEU A 61 -3.196 1.503 6.658 1.00 0.00 C ATOM 917 O LEU A 61 -3.016 2.679 6.344 1.00 0.00 O ATOM 918 CB LEU A 61 -1.768 0.541 8.555 1.00 0.00 C ATOM 919 CG LEU A 61 -3.017 0.468 9.435 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.821 1.768 9.355 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.867 -0.754 9.080 1.00 0.00 C ATOM 0 H LEU A 61 -0.434 1.951 6.713 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.262 -0.401 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.151 -0.334 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.189 1.416 8.852 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.699 0.349 10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.704 1.690 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.203 2.599 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.130 1.942 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.749 -0.782 9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.178 -0.691 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.281 -1.661 9.229 1.00 0.00 H new ATOM 933 N VAL A 62 -4.378 0.907 6.692 1.00 0.00 N ATOM 934 CA VAL A 62 -5.591 1.630 6.347 1.00 0.00 C ATOM 935 C VAL A 62 -6.752 1.101 7.190 1.00 0.00 C ATOM 936 O VAL A 62 -7.170 -0.045 7.030 1.00 0.00 O ATOM 937 CB VAL A 62 -5.850 1.529 4.842 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.139 2.258 4.458 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.659 2.063 4.044 1.00 0.00 C ATOM 0 H VAL A 62 -4.522 -0.068 6.953 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.481 2.690 6.574 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.974 0.475 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.300 2.171 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.981 1.812 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.056 3.311 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.869 1.980 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.489 3.109 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.769 1.481 4.285 1.00 0.00 H new ATOM 949 N LYS A 63 -7.242 1.962 8.071 1.00 0.00 N ATOM 950 CA LYS A 63 -8.347 1.596 8.940 1.00 0.00 C ATOM 951 C LYS A 63 -9.587 2.402 8.548 1.00 0.00 C ATOM 952 O LYS A 63 -9.488 3.379 7.808 1.00 0.00 O ATOM 953 CB LYS A 63 -7.949 1.755 10.409 1.00 0.00 C ATOM 954 CG LYS A 63 -7.893 0.397 11.112 1.00 0.00 C ATOM 955 CD LYS A 63 -6.543 0.193 11.803 1.00 0.00 C ATOM 956 CE LYS A 63 -6.069 1.485 12.472 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.612 1.216 13.854 1.00 0.00 N ATOM 0 H LYS A 63 -6.894 2.912 8.201 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.598 0.543 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.977 2.243 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.665 2.402 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.695 0.330 11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.058 -0.399 10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.628 -0.597 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.803 -0.136 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.257 1.924 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.880 2.213 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.294 2.103 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.397 0.817 14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.824 0.538 13.833 1.00 0.00 H new ATOM 971 N ASN A 64 -10.727 1.962 9.062 1.00 0.00 N ATOM 972 CA ASN A 64 -11.984 2.630 8.775 1.00 0.00 C ATOM 973 C ASN A 64 -12.010 3.050 7.304 1.00 0.00 C ATOM 974 O ASN A 64 -11.568 4.146 6.960 1.00 0.00 O ATOM 975 CB ASN A 64 -12.146 3.890 9.629 1.00 0.00 C ATOM 976 CG ASN A 64 -13.523 3.927 10.295 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.482 4.466 9.767 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.567 3.326 11.481 1.00 0.00 N ATOM 0 H ASN A 64 -10.805 1.151 9.675 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.793 1.935 8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.368 3.919 10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.015 4.775 9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.441 3.297 12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.727 2.894 11.865 1.00 0.00 H new ATOM 985 N LEU A 65 -12.530 2.157 6.476 1.00 0.00 N ATOM 986 CA LEU A 65 -12.619 2.421 5.050 1.00 0.00 C ATOM 987 C LEU A 65 -14.050 2.162 4.575 1.00 0.00 C ATOM 988 O LEU A 65 -15.008 2.583 5.223 1.00 0.00 O ATOM 989 CB LEU A 65 -11.564 1.616 4.289 1.00 0.00 C ATOM 990 CG LEU A 65 -11.227 2.112 2.881 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.929 3.439 2.585 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.713 2.208 2.681 1.00 0.00 C ATOM 0 H LEU A 65 -12.894 1.249 6.765 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.399 3.468 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.647 1.608 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.906 0.584 4.217 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.601 1.382 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.673 3.770 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.008 3.304 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.607 4.190 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.501 2.563 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.294 2.905 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.264 1.225 2.821 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.151 1.472 3.449 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.449 1.152 2.881 1.00 0.00 C ATOM 1006 C ASN A 66 -16.131 0.089 3.745 1.00 0.00 C ATOM 1007 O ASN A 66 -16.266 -1.061 3.330 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.307 0.589 1.465 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.471 1.036 0.578 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.376 0.278 0.269 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.399 2.305 0.188 1.00 0.00 N ATOM 0 H ASN A 66 -13.354 1.125 2.914 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.038 2.069 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.365 0.922 1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.272 -0.500 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.129 2.698 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.614 2.885 0.483 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.544 0.513 4.930 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.209 -0.388 5.857 1.00 0.00 C ATOM 1020 C GLY A 67 -16.263 -1.498 6.317 1.00 0.00 C ATOM 1021 O GLY A 67 -16.709 -2.555 6.761 1.00 0.00 O ATOM 0 H GLY A 67 -16.431 1.468 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.565 0.172 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.084 -0.827 5.378 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.973 -1.220 6.196 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.960 -2.182 6.594 1.00 0.00 C ATOM 1027 C LYS A 68 -12.593 -1.496 6.620 1.00 0.00 C ATOM 1028 O LYS A 68 -12.490 -0.299 6.355 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.010 -3.418 5.693 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.578 -3.069 4.316 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.867 -3.857 3.214 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.063 -5.362 3.402 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.082 -5.874 2.458 1.00 0.00 N ATOM 0 H LYS A 68 -14.606 -0.342 5.828 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.155 -2.544 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.008 -3.833 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.624 -4.188 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.646 -3.287 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.467 -2.000 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.252 -3.555 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.803 -3.621 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.118 -5.881 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.371 -5.569 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.203 -6.897 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.987 -5.392 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.773 -5.693 1.482 1.00 0.00 H new ATOM 1047 N SER A 69 -11.577 -2.283 6.942 1.00 0.00 N ATOM 1048 CA SER A 69 -10.220 -1.765 7.005 1.00 0.00 C ATOM 1049 C SER A 69 -9.302 -2.593 6.104 1.00 0.00 C ATOM 1050 O SER A 69 -9.550 -3.776 5.878 1.00 0.00 O ATOM 1051 CB SER A 69 -9.697 -1.768 8.443 1.00 0.00 C ATOM 1052 OG SER A 69 -9.911 -3.022 9.086 1.00 0.00 O ATOM 0 H SER A 69 -11.666 -3.275 7.162 1.00 0.00 H new ATOM 0 HA SER A 69 -10.230 -0.734 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.631 -1.538 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.192 -0.980 9.011 1.00 0.00 H new ATOM 0 HG SER A 69 -9.562 -2.984 10.001 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.260 -1.937 5.614 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.303 -2.598 4.742 1.00 0.00 C ATOM 1060 C TYR A 70 -5.869 -2.359 5.221 1.00 0.00 C ATOM 1061 O TYR A 70 -5.568 -1.311 5.792 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.480 -1.961 3.362 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.846 -2.225 2.726 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.972 -1.601 3.224 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.952 -3.088 1.654 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.257 -1.850 2.625 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.238 -3.336 1.055 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.327 -2.705 1.570 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.541 -2.940 1.004 1.00 0.00 O ATOM 0 H TYR A 70 -8.057 -0.956 5.804 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.474 -3.674 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.333 -0.884 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.702 -2.337 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.889 -0.926 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.071 -3.577 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.146 -1.368 3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.335 -4.008 0.215 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.439 -3.570 0.260 1.00 0.00 H new ATOM 1079 N SER A 71 -5.023 -3.347 4.971 1.00 0.00 N ATOM 1080 CA SER A 71 -3.629 -3.258 5.369 1.00 0.00 C ATOM 1081 C SER A 71 -2.726 -3.711 4.220 1.00 0.00 C ATOM 1082 O SER A 71 -3.042 -4.672 3.520 1.00 0.00 O ATOM 1083 CB SER A 71 -3.358 -4.097 6.619 1.00 0.00 C ATOM 1084 OG SER A 71 -3.769 -5.451 6.452 1.00 0.00 O ATOM 0 H SER A 71 -5.276 -4.214 4.497 1.00 0.00 H new ATOM 0 HA SER A 71 -3.408 -2.218 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.294 -4.067 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.883 -3.661 7.469 1.00 0.00 H new ATOM 0 HG SER A 71 -4.701 -5.475 6.150 1.00 0.00 H new ATOM 1090 N MET A 72 -1.622 -2.997 4.060 1.00 0.00 N ATOM 1091 CA MET A 72 -0.671 -3.313 3.008 1.00 0.00 C ATOM 1092 C MET A 72 0.759 -2.996 3.448 1.00 0.00 C ATOM 1093 O MET A 72 1.052 -1.875 3.859 1.00 0.00 O ATOM 1094 CB MET A 72 -1.011 -2.506 1.753 1.00 0.00 C ATOM 1095 CG MET A 72 0.184 -2.447 0.799 1.00 0.00 C ATOM 1096 SD MET A 72 -0.358 -1.954 -0.828 1.00 0.00 S ATOM 1097 CE MET A 72 0.109 -3.402 -1.762 1.00 0.00 C ATOM 0 H MET A 72 -1.364 -2.200 4.642 1.00 0.00 H new ATOM 0 HA MET A 72 -0.736 -4.380 2.793 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.864 -2.957 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.306 -1.495 2.035 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.925 -1.741 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.669 -3.422 0.750 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.502 -3.098 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.875 -3.955 -1.218 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.764 -4.039 -1.907 1.00 0.00 H new ATOM 1107 N ILE A 73 1.613 -4.005 3.346 1.00 0.00 N ATOM 1108 CA ILE A 73 3.006 -3.848 3.728 1.00 0.00 C ATOM 1109 C ILE A 73 3.895 -4.548 2.698 1.00 0.00 C ATOM 1110 O ILE A 73 3.544 -5.612 2.191 1.00 0.00 O ATOM 1111 CB ILE A 73 3.226 -4.334 5.162 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.501 -3.433 6.164 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.719 -4.456 5.476 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.046 -3.637 7.579 1.00 0.00 C ATOM 0 H ILE A 73 1.367 -4.934 3.004 1.00 0.00 H new ATOM 0 HA ILE A 73 3.285 -2.794 3.727 1.00 0.00 H new ATOM 0 HB ILE A 73 2.795 -5.331 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.619 -2.390 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.433 -3.650 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.848 -4.803 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.178 -5.169 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.196 -3.483 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.514 -2.985 8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.904 -4.676 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.109 -3.396 7.598 1.00 0.00 H new ATOM 1126 N VAL A 74 5.029 -3.921 2.419 1.00 0.00 N ATOM 1127 CA VAL A 74 5.970 -4.471 1.459 1.00 0.00 C ATOM 1128 C VAL A 74 7.359 -4.544 2.097 1.00 0.00 C ATOM 1129 O VAL A 74 7.887 -3.534 2.560 1.00 0.00 O ATOM 1130 CB VAL A 74 5.947 -3.645 0.171 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.605 -2.929 0.003 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.107 -2.648 0.138 1.00 0.00 C ATOM 0 H VAL A 74 5.317 -3.038 2.841 1.00 0.00 H new ATOM 0 HA VAL A 74 5.685 -5.486 1.184 1.00 0.00 H new ATOM 0 HB VAL A 74 6.070 -4.330 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.615 -2.349 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.803 -3.665 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.440 -2.262 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.067 -2.074 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.029 -1.971 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.052 -3.188 0.190 1.00 0.00 H new ATOM 1142 N ASN A 75 7.911 -5.748 2.101 1.00 0.00 N ATOM 1143 CA ASN A 75 9.228 -5.966 2.675 1.00 0.00 C ATOM 1144 C ASN A 75 10.117 -6.670 1.648 1.00 0.00 C ATOM 1145 O ASN A 75 9.670 -7.587 0.960 1.00 0.00 O ATOM 1146 CB ASN A 75 9.147 -6.855 3.918 1.00 0.00 C ATOM 1147 CG ASN A 75 7.950 -6.470 4.790 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.896 -5.404 5.381 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.995 -7.395 4.837 1.00 0.00 N ATOM 0 H ASN A 75 7.470 -6.583 1.716 1.00 0.00 H new ATOM 0 HA ASN A 75 9.640 -4.996 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.062 -7.899 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.067 -6.763 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.155 -7.233 5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.103 -8.266 4.318 1.00 0.00 H new ATOM 1156 N ASN A 76 11.359 -6.214 1.576 1.00 0.00 N ATOM 1157 CA ASN A 76 12.314 -6.789 0.644 1.00 0.00 C ATOM 1158 C ASN A 76 12.143 -6.131 -0.726 1.00 0.00 C ATOM 1159 O ASN A 76 11.752 -6.788 -1.690 1.00 0.00 O ATOM 1160 CB ASN A 76 12.086 -8.293 0.479 1.00 0.00 C ATOM 1161 CG ASN A 76 11.732 -8.944 1.817 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.249 -8.591 2.865 1.00 0.00 O ATOM 1163 ND2 ASN A 76 10.825 -9.913 1.724 1.00 0.00 N ATOM 0 H ASN A 76 11.726 -5.453 2.148 1.00 0.00 H new ATOM 0 HA ASN A 76 13.315 -6.618 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.283 -8.466 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.983 -8.758 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.522 -10.410 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.432 -10.158 0.815 1.00 0.00 H new ATOM 1170 N LEU A 77 12.443 -4.841 -0.769 1.00 0.00 N ATOM 1171 CA LEU A 77 12.327 -4.087 -2.006 1.00 0.00 C ATOM 1172 C LEU A 77 13.553 -4.358 -2.880 1.00 0.00 C ATOM 1173 O LEU A 77 14.683 -4.334 -2.396 1.00 0.00 O ATOM 1174 CB LEU A 77 12.099 -2.603 -1.709 1.00 0.00 C ATOM 1175 CG LEU A 77 10.826 -2.263 -0.933 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.909 -0.858 -0.332 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.585 -2.438 -1.810 1.00 0.00 C ATOM 0 H LEU A 77 12.766 -4.299 0.032 1.00 0.00 H new ATOM 0 HA LEU A 77 11.454 -4.413 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.955 -2.230 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.079 -2.062 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 77 10.735 -2.964 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.991 -0.641 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.758 -0.803 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.037 -0.128 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.694 -2.190 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.654 -1.777 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.522 -3.472 -2.148 1.00 0.00 H new ATOM 1189 N LEU A 78 13.288 -4.609 -4.154 1.00 0.00 N ATOM 1190 CA LEU A 78 14.355 -4.884 -5.100 1.00 0.00 C ATOM 1191 C LEU A 78 15.509 -3.909 -4.859 1.00 0.00 C ATOM 1192 O LEU A 78 16.665 -4.320 -4.767 1.00 0.00 O ATOM 1193 CB LEU A 78 13.820 -4.861 -6.533 1.00 0.00 C ATOM 1194 CG LEU A 78 14.661 -5.601 -7.576 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.691 -7.103 -7.290 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.171 -5.296 -8.993 1.00 0.00 C ATOM 0 H LEU A 78 12.349 -4.628 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 78 14.749 -5.889 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.818 -5.290 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.721 -3.822 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 78 15.687 -5.240 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.295 -7.605 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.124 -7.277 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.676 -7.499 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.786 -5.834 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.132 -5.611 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.245 -4.225 -9.181 1.00 0.00 H new ATOM 1208 N LYS A 79 15.155 -2.636 -4.763 1.00 0.00 N ATOM 1209 CA LYS A 79 16.147 -1.599 -4.534 1.00 0.00 C ATOM 1210 C LYS A 79 15.767 -0.804 -3.283 1.00 0.00 C ATOM 1211 O LYS A 79 14.612 -0.818 -2.861 1.00 0.00 O ATOM 1212 CB LYS A 79 16.316 -0.734 -5.785 1.00 0.00 C ATOM 1213 CG LYS A 79 16.456 -1.601 -7.037 1.00 0.00 C ATOM 1214 CD LYS A 79 17.928 -1.862 -7.362 1.00 0.00 C ATOM 1215 CE LYS A 79 18.106 -3.215 -8.054 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.299 -3.914 -7.528 1.00 0.00 N ATOM 0 H LYS A 79 14.195 -2.299 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 79 17.125 -2.042 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.457 -0.071 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.196 -0.100 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.940 -2.549 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.976 -1.107 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.308 -1.068 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.516 -1.839 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.219 -3.829 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.207 -3.069 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.405 -4.830 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.145 -3.334 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.187 -4.070 -6.506 1.00 0.00 H new ATOM 1230 N PRO A 80 16.788 -0.110 -2.711 1.00 0.00 N ATOM 1231 CA PRO A 80 16.573 0.689 -1.517 1.00 0.00 C ATOM 1232 C PRO A 80 15.834 1.986 -1.852 1.00 0.00 C ATOM 1233 O PRO A 80 15.812 2.413 -3.005 1.00 0.00 O ATOM 1234 CB PRO A 80 17.962 0.927 -0.948 1.00 0.00 C ATOM 1235 CG PRO A 80 18.932 0.652 -2.085 1.00 0.00 C ATOM 1236 CD PRO A 80 18.169 -0.070 -3.184 1.00 0.00 C ATOM 0 HA PRO A 80 15.937 0.190 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.065 1.950 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.155 0.268 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.353 1.584 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.766 0.043 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.247 0.459 -4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.562 -1.074 -3.345 1.00 0.00 H new ATOM 1244 N ILE A 81 15.246 2.577 -0.822 1.00 0.00 N ATOM 1245 CA ILE A 81 14.507 3.817 -0.992 1.00 0.00 C ATOM 1246 C ILE A 81 14.738 4.714 0.226 1.00 0.00 C ATOM 1247 O ILE A 81 14.809 4.228 1.354 1.00 0.00 O ATOM 1248 CB ILE A 81 13.031 3.527 -1.272 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.435 2.625 -0.190 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.844 2.943 -2.674 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.494 3.412 0.724 1.00 0.00 C ATOM 0 H ILE A 81 15.266 2.220 0.133 1.00 0.00 H new ATOM 0 HA ILE A 81 14.871 4.362 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 81 12.485 4.470 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.892 1.803 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.237 2.183 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.786 2.746 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.207 3.654 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.405 2.012 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.084 2.747 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.046 4.218 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.680 3.833 0.133 1.00 0.00 H new ATOM 1263 N SER A 82 14.847 6.006 -0.043 1.00 0.00 N ATOM 1264 CA SER A 82 15.068 6.975 1.017 1.00 0.00 C ATOM 1265 C SER A 82 13.788 7.158 1.834 1.00 0.00 C ATOM 1266 O SER A 82 12.705 7.318 1.272 1.00 0.00 O ATOM 1267 CB SER A 82 15.530 8.318 0.448 1.00 0.00 C ATOM 1268 OG SER A 82 14.777 9.408 0.972 1.00 0.00 O ATOM 0 H SER A 82 14.786 6.405 -0.980 1.00 0.00 H new ATOM 0 HA SER A 82 15.856 6.596 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.586 8.464 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.438 8.303 -0.638 1.00 0.00 H new ATOM 0 HG SER A 82 15.334 10.214 0.985 1.00 0.00 H new ATOM 1274 N VAL A 83 13.953 7.127 3.148 1.00 0.00 N ATOM 1275 CA VAL A 83 12.824 7.287 4.049 1.00 0.00 C ATOM 1276 C VAL A 83 12.440 8.766 4.120 1.00 0.00 C ATOM 1277 O VAL A 83 11.375 9.158 3.645 1.00 0.00 O ATOM 1278 CB VAL A 83 13.157 6.689 5.417 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.127 7.112 6.466 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.265 5.164 5.338 1.00 0.00 C ATOM 0 H VAL A 83 14.852 6.993 3.611 1.00 0.00 H new ATOM 0 HA VAL A 83 11.956 6.743 3.675 1.00 0.00 H new ATOM 0 HB VAL A 83 14.128 7.078 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.387 6.673 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.121 8.199 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.138 6.766 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.502 4.764 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.316 4.749 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.053 4.891 4.636 1.00 0.00 H new ATOM 1290 N GLU A 84 13.327 9.547 4.718 1.00 0.00 N ATOM 1291 CA GLU A 84 13.094 10.974 4.858 1.00 0.00 C ATOM 1292 C GLU A 84 12.650 11.573 3.522 1.00 0.00 C ATOM 1293 O GLU A 84 11.934 12.573 3.493 1.00 0.00 O ATOM 1294 CB GLU A 84 14.342 11.684 5.389 1.00 0.00 C ATOM 1295 CG GLU A 84 14.381 11.653 6.918 1.00 0.00 C ATOM 1296 CD GLU A 84 15.098 12.885 7.473 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.344 12.911 7.369 1.00 0.00 O ATOM 1298 OE2 GLU A 84 14.385 13.773 7.988 1.00 0.00 O ATOM 0 H GLU A 84 14.209 9.218 5.111 1.00 0.00 H new ATOM 0 HA GLU A 84 12.295 11.122 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.235 11.205 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.352 12.717 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.365 11.612 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.890 10.750 7.254 1.00 0.00 H new ATOM 1305 N GLY A 85 13.092 10.936 2.448 1.00 0.00 N ATOM 1306 CA GLY A 85 12.749 11.393 1.112 1.00 0.00 C ATOM 1307 C GLY A 85 11.426 10.781 0.646 1.00 0.00 C ATOM 1308 O GLY A 85 10.684 11.403 -0.113 1.00 0.00 O ATOM 0 H GLY A 85 13.685 10.107 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.674 12.480 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.544 11.123 0.416 1.00 0.00 H new ATOM 1312 N SER A 86 11.171 9.571 1.121 1.00 0.00 N ATOM 1313 CA SER A 86 9.951 8.868 0.762 1.00 0.00 C ATOM 1314 C SER A 86 8.731 9.687 1.190 1.00 0.00 C ATOM 1315 O SER A 86 8.827 10.533 2.077 1.00 0.00 O ATOM 1316 CB SER A 86 9.908 7.478 1.401 1.00 0.00 C ATOM 1317 OG SER A 86 10.565 6.501 0.599 1.00 0.00 O ATOM 0 H SER A 86 11.788 9.059 1.751 1.00 0.00 H new ATOM 0 HA SER A 86 9.935 8.741 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.378 7.516 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.870 7.182 1.555 1.00 0.00 H new ATOM 0 HG SER A 86 11.527 6.685 0.582 1.00 0.00 H new ATOM 1323 N SER A 87 7.612 9.406 0.538 1.00 0.00 N ATOM 1324 CA SER A 87 6.375 10.106 0.839 1.00 0.00 C ATOM 1325 C SER A 87 5.176 9.259 0.408 1.00 0.00 C ATOM 1326 O SER A 87 5.304 8.386 -0.449 1.00 0.00 O ATOM 1327 CB SER A 87 6.334 11.472 0.152 1.00 0.00 C ATOM 1328 OG SER A 87 7.619 12.085 0.105 1.00 0.00 O ATOM 0 H SER A 87 7.536 8.703 -0.197 1.00 0.00 H new ATOM 0 HA SER A 87 6.328 10.269 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.950 11.357 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.641 12.124 0.683 1.00 0.00 H new ATOM 0 HG SER A 87 7.551 12.954 -0.342 1.00 0.00 H new ATOM 1334 N LYS A 88 4.038 9.545 1.023 1.00 0.00 N ATOM 1335 CA LYS A 88 2.817 8.820 0.714 1.00 0.00 C ATOM 1336 C LYS A 88 1.743 9.810 0.258 1.00 0.00 C ATOM 1337 O LYS A 88 1.676 10.932 0.758 1.00 0.00 O ATOM 1338 CB LYS A 88 2.392 7.955 1.902 1.00 0.00 C ATOM 1339 CG LYS A 88 0.901 7.622 1.832 1.00 0.00 C ATOM 1340 CD LYS A 88 0.081 8.590 2.687 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.099 7.875 3.346 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.277 8.769 3.409 1.00 0.00 N ATOM 0 H LYS A 88 3.936 10.269 1.734 1.00 0.00 H new ATOM 0 HA LYS A 88 2.983 8.127 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.974 7.033 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.608 8.479 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.563 7.670 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.737 6.600 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.717 9.032 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.285 9.408 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.347 6.975 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.823 7.556 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.131 8.238 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.384 9.135 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.146 9.563 2.751 1.00 0.00 H new ATOM 1356 N LYS A 89 0.930 9.359 -0.685 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.138 10.191 -1.213 1.00 0.00 C ATOM 1358 C LYS A 89 -1.416 9.358 -1.332 1.00 0.00 C ATOM 1359 O LYS A 89 -1.370 8.131 -1.266 1.00 0.00 O ATOM 1360 CB LYS A 89 0.293 10.845 -2.527 1.00 0.00 C ATOM 1361 CG LYS A 89 0.923 12.217 -2.276 1.00 0.00 C ATOM 1362 CD LYS A 89 0.387 13.256 -3.262 1.00 0.00 C ATOM 1363 CE LYS A 89 0.864 12.958 -4.685 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.233 13.479 -4.892 1.00 0.00 N ATOM 0 H LYS A 89 0.989 8.428 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.354 11.012 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.007 10.201 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.570 10.952 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.712 12.537 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.007 12.146 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.703 13.262 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.719 14.251 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.847 11.883 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.183 13.411 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.663 13.008 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.192 14.504 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.807 13.291 -4.046 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.527 10.059 -1.504 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.816 9.400 -1.632 1.00 0.00 C ATOM 1380 C VAL A 90 -4.591 10.028 -2.792 1.00 0.00 C ATOM 1381 O VAL A 90 -4.705 11.249 -2.879 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.571 9.466 -0.303 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -6.065 9.208 -0.509 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.980 8.485 0.712 1.00 0.00 C ATOM 0 H VAL A 90 -2.561 11.077 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.684 8.343 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.457 10.473 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.579 9.260 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.475 9.961 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.207 8.218 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.535 8.552 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.050 7.470 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.934 8.733 0.892 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.106 9.163 -3.654 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.867 9.617 -4.805 1.00 0.00 C ATOM 1396 C LYS A 91 -7.326 9.183 -4.649 1.00 0.00 C ATOM 1397 O LYS A 91 -7.711 8.651 -3.609 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.217 9.133 -6.103 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.177 8.046 -5.823 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.577 7.514 -7.125 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.741 8.588 -7.823 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.487 9.165 -8.964 1.00 0.00 N ATOM 0 H LYS A 91 -5.011 8.150 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.861 10.706 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.983 8.744 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.743 9.972 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.385 8.449 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.640 7.228 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.955 6.644 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.376 7.182 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.484 9.375 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.804 8.156 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.081 10.090 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.419 8.526 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.486 9.285 -8.701 1.00 0.00 H new ATOM 1416 N THR A 92 -8.098 9.427 -5.698 1.00 0.00 N ATOM 1417 CA THR A 92 -9.506 9.068 -5.691 1.00 0.00 C ATOM 1418 C THR A 92 -9.668 7.547 -5.639 1.00 0.00 C ATOM 1419 O THR A 92 -9.375 6.854 -6.612 1.00 0.00 O ATOM 1420 CB THR A 92 -10.164 9.708 -6.915 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.969 11.106 -6.722 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.684 9.540 -6.918 1.00 0.00 C ATOM 0 H THR A 92 -7.775 9.869 -6.559 1.00 0.00 H new ATOM 0 HA THR A 92 -10.006 9.448 -4.800 1.00 0.00 H new ATOM 0 HB THR A 92 -9.749 9.268 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.364 11.598 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.100 10.012 -7.808 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.933 8.479 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.104 10.009 -6.028 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.135 7.073 -4.494 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.340 5.647 -4.302 1.00 0.00 C ATOM 1432 C ASP A 93 -9.032 4.905 -4.586 1.00 0.00 C ATOM 1433 O ASP A 93 -9.048 3.775 -5.070 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.405 5.110 -5.261 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.842 5.512 -4.921 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.042 5.999 -3.787 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.708 5.323 -5.803 1.00 0.00 O ATOM 0 H ASP A 93 -10.378 7.651 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.666 5.489 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.175 5.458 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.342 4.022 -5.278 1.00 0.00 H new ATOM 1442 N THR A 94 -7.931 5.572 -4.272 1.00 0.00 N ATOM 1443 CA THR A 94 -6.617 4.991 -4.487 1.00 0.00 C ATOM 1444 C THR A 94 -5.597 5.608 -3.528 1.00 0.00 C ATOM 1445 O THR A 94 -5.679 6.793 -3.208 1.00 0.00 O ATOM 1446 CB THR A 94 -6.254 5.174 -5.962 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.133 4.288 -6.649 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.857 4.645 -6.291 1.00 0.00 C ATOM 0 H THR A 94 -7.922 6.510 -3.870 1.00 0.00 H new ATOM 0 HA THR A 94 -6.616 3.923 -4.268 1.00 0.00 H new ATOM 0 HB THR A 94 -6.311 6.231 -6.221 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.707 3.829 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.650 4.799 -7.350 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.116 5.178 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.808 3.580 -6.063 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.659 4.778 -3.097 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.625 5.228 -2.182 1.00 0.00 C ATOM 1458 C VAL A 95 -2.268 5.178 -2.888 1.00 0.00 C ATOM 1459 O VAL A 95 -1.855 4.126 -3.374 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.662 4.394 -0.900 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.520 2.903 -1.211 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.584 4.853 0.084 1.00 0.00 C ATOM 0 H VAL A 95 -4.594 3.796 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.800 6.262 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.633 4.547 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.549 2.333 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.339 2.586 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.570 2.725 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.632 4.244 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.602 4.744 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.749 5.899 0.343 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.613 6.329 -2.923 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.311 6.430 -3.562 1.00 0.00 C ATOM 1474 C LEU A 96 0.784 6.227 -2.513 1.00 0.00 C ATOM 1475 O LEU A 96 0.625 6.623 -1.360 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.192 7.749 -4.329 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.343 7.657 -5.848 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.176 8.926 -6.528 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.334 6.397 -6.392 1.00 0.00 C ATOM 0 H LEU A 96 -1.959 7.200 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.189 5.643 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.948 8.436 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.780 8.189 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.405 7.577 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.057 8.835 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.390 9.787 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.231 9.061 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.211 6.357 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.396 6.420 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.123 5.515 -5.942 1.00 0.00 H new ATOM 1491 N ILE A 97 1.871 5.609 -2.951 1.00 0.00 N ATOM 1492 CA ILE A 97 2.992 5.348 -2.065 1.00 0.00 C ATOM 1493 C ILE A 97 4.295 5.722 -2.775 1.00 0.00 C ATOM 1494 O ILE A 97 4.886 4.896 -3.469 1.00 0.00 O ATOM 1495 CB ILE A 97 2.956 3.903 -1.566 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.566 3.539 -1.040 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.047 3.655 -0.522 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.279 4.246 0.286 1.00 0.00 C ATOM 0 H ILE A 97 1.999 5.281 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 97 2.925 5.970 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 97 3.163 3.245 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.811 3.817 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.496 2.460 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.999 2.620 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.024 3.847 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.896 4.321 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.285 3.970 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.022 3.947 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.326 5.325 0.140 1.00 0.00 H new ATOM 1510 N LEU A 98 4.705 6.966 -2.575 1.00 0.00 N ATOM 1511 CA LEU A 98 5.927 7.458 -3.187 1.00 0.00 C ATOM 1512 C LEU A 98 7.132 6.944 -2.396 1.00 0.00 C ATOM 1513 O LEU A 98 7.249 7.202 -1.200 1.00 0.00 O ATOM 1514 CB LEU A 98 5.884 8.982 -3.320 1.00 0.00 C ATOM 1515 CG LEU A 98 4.778 9.546 -4.215 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.226 10.854 -3.646 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.268 9.709 -5.655 1.00 0.00 C ATOM 0 H LEU A 98 4.212 7.648 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 98 6.025 7.075 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.772 9.411 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.845 9.320 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 98 3.956 8.831 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.442 11.233 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.814 10.674 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.029 11.588 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.463 10.111 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.117 10.393 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.574 8.739 -6.047 1.00 0.00 H new ATOM 1529 N CYS A 99 7.997 6.226 -3.097 1.00 0.00 N ATOM 1530 CA CYS A 99 9.188 5.673 -2.476 1.00 0.00 C ATOM 1531 C CYS A 99 10.413 6.230 -3.204 1.00 0.00 C ATOM 1532 O CYS A 99 10.629 5.934 -4.378 1.00 0.00 O ATOM 1533 CB CYS A 99 9.170 4.143 -2.478 1.00 0.00 C ATOM 1534 SG CYS A 99 8.683 3.520 -0.828 1.00 0.00 S ATOM 0 H CYS A 99 7.896 6.014 -4.090 1.00 0.00 H new ATOM 0 HA CYS A 99 9.224 5.969 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.472 3.780 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.155 3.760 -2.744 1.00 0.00 H new ATOM 0 HG CYS A 99 8.029 4.445 -0.190 1.00 0.00 H new ATOM 1540 N ARG A 100 11.182 7.027 -2.477 1.00 0.00 N ATOM 1541 CA ARG A 100 12.379 7.629 -3.039 1.00 0.00 C ATOM 1542 C ARG A 100 13.340 6.542 -3.526 1.00 0.00 C ATOM 1543 O ARG A 100 13.382 5.449 -2.965 1.00 0.00 O ATOM 1544 CB ARG A 100 13.092 8.506 -2.008 1.00 0.00 C ATOM 1545 CG ARG A 100 12.639 9.963 -2.120 1.00 0.00 C ATOM 1546 CD ARG A 100 12.718 10.451 -3.568 1.00 0.00 C ATOM 1547 NE ARG A 100 11.377 10.401 -4.193 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.348 11.177 -3.827 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.500 12.068 -2.838 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.168 11.063 -4.451 1.00 0.00 N ATOM 0 H ARG A 100 10.999 7.270 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 100 12.073 8.253 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.886 8.134 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.170 8.444 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.616 10.059 -1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.264 10.592 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.104 11.470 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.415 9.831 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 100 11.227 9.734 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.399 12.155 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.717 12.659 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.053 10.385 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.385 11.654 -4.172 1.00 0.00 H new ATOM 1564 N LYS A 101 14.089 6.882 -4.565 1.00 0.00 N ATOM 1565 CA LYS A 101 15.047 5.949 -5.133 1.00 0.00 C ATOM 1566 C LYS A 101 16.450 6.293 -4.628 1.00 0.00 C ATOM 1567 O LYS A 101 17.042 7.284 -5.054 1.00 0.00 O ATOM 1568 CB LYS A 101 14.932 5.926 -6.659 1.00 0.00 C ATOM 1569 CG LYS A 101 14.270 4.633 -7.139 1.00 0.00 C ATOM 1570 CD LYS A 101 14.670 4.315 -8.581 1.00 0.00 C ATOM 1571 CE LYS A 101 14.009 3.021 -9.061 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.394 3.216 -10.392 1.00 0.00 N ATOM 0 H LYS A 101 14.052 7.790 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 101 14.830 4.933 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.350 6.784 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.923 6.018 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.559 3.809 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.186 4.728 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.380 5.139 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.754 4.221 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.750 2.223 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.249 2.707 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.488 2.707 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.229 4.230 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.032 2.849 -11.126 1.00 0.00 H new ATOM 1585 N LYS A 102 16.941 5.456 -3.725 1.00 0.00 N ATOM 1586 CA LYS A 102 18.262 5.660 -3.157 1.00 0.00 C ATOM 1587 C LYS A 102 19.234 6.064 -4.268 1.00 0.00 C ATOM 1588 O LYS A 102 20.197 6.789 -4.021 1.00 0.00 O ATOM 1589 CB LYS A 102 18.705 4.423 -2.374 1.00 0.00 C ATOM 1590 CG LYS A 102 19.977 4.707 -1.573 1.00 0.00 C ATOM 1591 CD LYS A 102 20.211 3.628 -0.513 1.00 0.00 C ATOM 1592 CE LYS A 102 21.693 3.530 -0.147 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.114 4.717 0.630 1.00 0.00 N ATOM 0 H LYS A 102 16.447 4.636 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 102 18.244 6.477 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.908 4.111 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.881 3.597 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.833 4.751 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.898 5.682 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.627 3.857 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.860 2.665 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.871 2.625 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.293 3.450 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.122 4.635 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.962 5.575 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.554 4.776 1.504 1.00 0.00 H new ATOM 1607 N VAL A 103 18.947 5.579 -5.467 1.00 0.00 N ATOM 1608 CA VAL A 103 19.783 5.881 -6.616 1.00 0.00 C ATOM 1609 C VAL A 103 18.930 5.847 -7.885 1.00 0.00 C ATOM 1610 O VAL A 103 18.417 4.795 -8.264 1.00 0.00 O ATOM 1611 CB VAL A 103 20.970 4.917 -6.667 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.831 3.820 -5.610 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.127 4.315 -8.065 1.00 0.00 C ATOM 0 H VAL A 103 18.147 4.979 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 103 20.200 6.885 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 103 21.873 5.485 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.688 3.148 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.791 4.272 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.915 3.256 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.978 3.634 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.222 3.769 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.294 5.113 -8.788 1.00 0.00 H new ATOM 1623 N GLU A 104 18.804 7.010 -8.507 1.00 0.00 N ATOM 1624 CA GLU A 104 18.021 7.126 -9.726 1.00 0.00 C ATOM 1625 C GLU A 104 18.645 6.282 -10.840 1.00 0.00 C ATOM 1626 O GLU A 104 19.707 5.689 -10.654 1.00 0.00 O ATOM 1627 CB GLU A 104 17.888 8.588 -10.155 1.00 0.00 C ATOM 1628 CG GLU A 104 17.282 9.436 -9.035 1.00 0.00 C ATOM 1629 CD GLU A 104 18.300 10.444 -8.498 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.472 10.039 -8.341 1.00 0.00 O ATOM 1631 OE2 GLU A 104 17.883 11.598 -8.256 1.00 0.00 O ATOM 0 H GLU A 104 19.231 7.880 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 104 17.018 6.747 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.868 8.982 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.262 8.654 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.404 9.964 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.944 8.788 -8.226 1.00 0.00 H new ATOM 1638 N ASN A 105 17.959 6.255 -11.973 1.00 0.00 N ATOM 1639 CA ASN A 105 18.433 5.494 -13.116 1.00 0.00 C ATOM 1640 C ASN A 105 18.598 4.027 -12.714 1.00 0.00 C ATOM 1641 O ASN A 105 19.642 3.426 -12.962 1.00 0.00 O ATOM 1642 CB ASN A 105 19.791 6.009 -13.596 1.00 0.00 C ATOM 1643 CG ASN A 105 19.623 7.176 -14.570 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.527 7.526 -14.977 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.767 7.757 -14.921 1.00 0.00 N ATOM 0 H ASN A 105 17.079 6.748 -12.124 1.00 0.00 H new ATOM 0 HA ASN A 105 17.703 5.601 -13.918 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.386 6.328 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.339 5.202 -14.082 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.761 8.545 -15.568 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.650 7.414 -14.543 1.00 0.00 H new ATOM 1652 N THR A 106 17.551 3.494 -12.101 1.00 0.00 N ATOM 1653 CA THR A 106 17.567 2.109 -11.662 1.00 0.00 C ATOM 1654 C THR A 106 16.206 1.456 -11.909 1.00 0.00 C ATOM 1655 O THR A 106 15.240 1.739 -11.202 1.00 0.00 O ATOM 1656 CB THR A 106 17.997 2.083 -10.194 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.420 2.121 -10.248 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.685 0.747 -9.516 1.00 0.00 C ATOM 0 H THR A 106 16.687 3.996 -11.898 1.00 0.00 H new ATOM 0 HA THR A 106 18.283 1.520 -12.235 1.00 0.00 H new ATOM 0 HB THR A 106 17.498 2.889 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.706 2.407 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.010 0.782 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.612 0.561 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.211 -0.055 -10.034 1.00 0.00 H new ATOM 1666 N ARG A 107 16.172 0.594 -12.915 1.00 0.00 N ATOM 1667 CA ARG A 107 14.945 -0.102 -13.264 1.00 0.00 C ATOM 1668 C ARG A 107 14.591 -1.127 -12.184 1.00 0.00 C ATOM 1669 O ARG A 107 15.477 -1.741 -11.591 1.00 0.00 O ATOM 1670 CB ARG A 107 15.081 -0.816 -14.610 1.00 0.00 C ATOM 1671 CG ARG A 107 13.778 -0.732 -15.408 1.00 0.00 C ATOM 1672 CD ARG A 107 14.058 -0.708 -16.912 1.00 0.00 C ATOM 1673 NE ARG A 107 13.384 0.455 -17.533 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.606 0.870 -18.788 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.485 0.220 -19.563 1.00 0.00 N ATOM 1676 NH2 ARG A 107 12.949 1.935 -19.268 1.00 0.00 N ATOM 0 H ARG A 107 16.975 0.362 -13.500 1.00 0.00 H new ATOM 0 HA ARG A 107 14.151 0.641 -13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.893 -0.368 -15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.345 -1.861 -14.447 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.143 -1.584 -15.166 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.229 0.165 -15.122 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.132 -0.654 -17.090 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.705 -1.631 -17.371 1.00 0.00 H new ATOM 0 HE ARG A 107 12.709 0.973 -16.971 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.985 -0.591 -19.198 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.654 0.536 -20.518 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.280 2.430 -18.678 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.118 2.251 -20.223 1.00 0.00 H new ATOM 1690 N TRP A 108 13.294 -1.281 -11.962 1.00 0.00 N ATOM 1691 CA TRP A 108 12.812 -2.220 -10.965 1.00 0.00 C ATOM 1692 C TRP A 108 12.116 -3.370 -11.696 1.00 0.00 C ATOM 1693 O TRP A 108 10.958 -3.248 -12.093 1.00 0.00 O ATOM 1694 CB TRP A 108 11.906 -1.524 -9.947 1.00 0.00 C ATOM 1695 CG TRP A 108 12.664 -0.786 -8.841 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.796 -0.079 -8.948 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.294 -0.712 -7.448 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.183 0.444 -7.731 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.240 0.046 -6.790 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.197 -1.268 -6.767 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.185 0.318 -5.417 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.156 -0.987 -5.396 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.101 -0.225 -4.718 1.00 0.00 C ATOM 0 H TRP A 108 12.562 -0.771 -12.456 1.00 0.00 H new ATOM 0 HA TRP A 108 13.641 -2.626 -10.386 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.266 -0.814 -10.471 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.251 -2.267 -9.491 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.338 0.064 -9.871 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.008 1.017 -7.554 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.445 -1.865 -7.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.939 0.915 -4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.333 -1.390 -4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.999 -0.053 -3.657 1.00 0.00 H new ATOM 1714 N ASP A 109 12.851 -4.461 -11.852 1.00 0.00 N ATOM 1715 CA ASP A 109 12.319 -5.632 -12.528 1.00 0.00 C ATOM 1716 C ASP A 109 11.223 -6.260 -11.665 1.00 0.00 C ATOM 1717 O ASP A 109 10.437 -7.074 -12.148 1.00 0.00 O ATOM 1718 CB ASP A 109 13.409 -6.684 -12.748 1.00 0.00 C ATOM 1719 CG ASP A 109 14.375 -6.383 -13.895 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.874 -6.191 -15.024 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.594 -6.352 -13.617 1.00 0.00 O ATOM 0 H ASP A 109 13.811 -4.559 -11.522 1.00 0.00 H new ATOM 0 HA ASP A 109 11.925 -5.314 -13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.983 -6.789 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.932 -7.646 -12.937 1.00 0.00 H new ATOM 1726 N TYR A 110 11.206 -5.859 -10.403 1.00 0.00 N ATOM 1727 CA TYR A 110 10.219 -6.372 -9.468 1.00 0.00 C ATOM 1728 C TYR A 110 10.072 -5.444 -8.260 1.00 0.00 C ATOM 1729 O TYR A 110 11.015 -4.745 -7.892 1.00 0.00 O ATOM 1730 CB TYR A 110 10.752 -7.726 -8.993 1.00 0.00 C ATOM 1731 CG TYR A 110 11.092 -8.693 -10.129 1.00 0.00 C ATOM 1732 CD1 TYR A 110 10.083 -9.355 -10.798 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.409 -8.903 -10.484 1.00 0.00 C ATOM 1734 CE1 TYR A 110 10.404 -10.265 -11.866 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.730 -9.814 -11.553 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.712 -10.450 -12.191 1.00 0.00 C ATOM 1737 OH TYR A 110 12.015 -11.309 -13.200 1.00 0.00 O ATOM 0 H TYR A 110 11.860 -5.185 -10.006 1.00 0.00 H new ATOM 0 HA TYR A 110 9.243 -6.450 -9.946 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.645 -7.562 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 110 10.009 -8.190 -8.344 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.052 -9.190 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 110 13.199 -8.385 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.624 -10.789 -12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.756 -9.988 -11.841 1.00 0.00 H new ATOM 0 HH TYR A 110 12.987 -11.340 -13.322 1.00 0.00 H new ATOM 1747 N LEU A 111 8.882 -5.467 -7.678 1.00 0.00 N ATOM 1748 CA LEU A 111 8.600 -4.635 -6.520 1.00 0.00 C ATOM 1749 C LEU A 111 9.481 -5.080 -5.351 1.00 0.00 C ATOM 1750 O LEU A 111 10.093 -4.251 -4.680 1.00 0.00 O ATOM 1751 CB LEU A 111 7.103 -4.650 -6.202 1.00 0.00 C ATOM 1752 CG LEU A 111 6.511 -3.331 -5.702 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.054 -3.513 -5.272 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.368 -2.733 -4.585 1.00 0.00 C ATOM 0 H LEU A 111 8.102 -6.048 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 111 8.848 -3.594 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.564 -4.950 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.919 -5.416 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 111 6.517 -2.619 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.657 -2.561 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.465 -3.861 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.001 -4.247 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.924 -1.796 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.417 -3.432 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.374 -2.544 -4.960 1.00 0.00 H new ATOM 1766 N THR A 112 9.518 -6.389 -5.144 1.00 0.00 N ATOM 1767 CA THR A 112 10.314 -6.954 -4.068 1.00 0.00 C ATOM 1768 C THR A 112 11.206 -8.078 -4.598 1.00 0.00 C ATOM 1769 O THR A 112 10.885 -8.708 -5.605 1.00 0.00 O ATOM 1770 CB THR A 112 9.360 -7.406 -2.961 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.329 -8.102 -3.655 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.636 -6.234 -2.296 1.00 0.00 C ATOM 0 H THR A 112 9.010 -7.074 -5.703 1.00 0.00 H new ATOM 0 HA THR A 112 10.994 -6.213 -3.648 1.00 0.00 H new ATOM 0 HB THR A 112 9.917 -7.963 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.591 -8.292 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.972 -6.611 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.368 -5.559 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.052 -5.696 -3.043 1.00 0.00 H new ATOM 1780 N GLN A 113 12.309 -8.295 -3.897 1.00 0.00 N ATOM 1781 CA GLN A 113 13.250 -9.333 -4.285 1.00 0.00 C ATOM 1782 C GLN A 113 12.536 -10.681 -4.401 1.00 0.00 C ATOM 1783 O GLN A 113 12.831 -11.469 -5.298 1.00 0.00 O ATOM 1784 CB GLN A 113 14.416 -9.413 -3.297 1.00 0.00 C ATOM 1785 CG GLN A 113 15.247 -8.129 -3.324 1.00 0.00 C ATOM 1786 CD GLN A 113 16.677 -8.391 -2.849 1.00 0.00 C ATOM 1787 OE1 GLN A 113 17.005 -8.264 -1.681 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.509 -8.763 -3.819 1.00 0.00 N ATOM 0 H GLN A 113 12.572 -7.770 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 113 13.661 -9.077 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.033 -9.582 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 113 15.049 -10.265 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.265 -7.724 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.781 -7.377 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.169 -8.850 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.486 -8.961 -3.605 1.00 0.00 H new ATOM 1797 N VAL A 114 11.609 -10.905 -3.480 1.00 0.00 N ATOM 1798 CA VAL A 114 10.851 -12.144 -3.468 1.00 0.00 C ATOM 1799 C VAL A 114 10.442 -12.501 -4.899 1.00 0.00 C ATOM 1800 O VAL A 114 10.828 -13.548 -5.415 1.00 0.00 O ATOM 1801 CB VAL A 114 9.657 -12.017 -2.519 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.871 -10.734 -2.796 1.00 0.00 C ATOM 1803 CG2 VAL A 114 8.750 -13.246 -2.612 1.00 0.00 C ATOM 0 H VAL A 114 11.366 -10.249 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 114 11.464 -12.963 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 114 10.042 -11.961 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.028 -10.668 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.522 -9.871 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.502 -10.748 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.909 -13.130 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 114 8.377 -13.347 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.317 -14.138 -2.343 1.00 0.00 H new ATOM 1813 N GLU A 115 9.667 -11.609 -5.498 1.00 0.00 N ATOM 1814 CA GLU A 115 9.201 -11.817 -6.859 1.00 0.00 C ATOM 1815 C GLU A 115 10.350 -12.305 -7.744 1.00 0.00 C ATOM 1816 O GLU A 115 10.278 -13.389 -8.321 1.00 0.00 O ATOM 1817 CB GLU A 115 8.576 -10.541 -7.426 1.00 0.00 C ATOM 1818 CG GLU A 115 7.131 -10.787 -7.865 1.00 0.00 C ATOM 1819 CD GLU A 115 6.148 -10.389 -6.763 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.021 -11.179 -5.803 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.545 -9.303 -6.905 1.00 0.00 O ATOM 0 H GLU A 115 9.350 -10.741 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 115 8.428 -12.585 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.602 -9.753 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.163 -10.190 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.920 -10.216 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.997 -11.840 -8.114 1.00 0.00 H new ATOM 1828 N LYS A 116 11.384 -11.480 -7.824 1.00 0.00 N ATOM 1829 CA LYS A 116 12.547 -11.813 -8.629 1.00 0.00 C ATOM 1830 C LYS A 116 12.885 -13.293 -8.441 1.00 0.00 C ATOM 1831 O LYS A 116 12.682 -14.100 -9.348 1.00 0.00 O ATOM 1832 CB LYS A 116 13.709 -10.872 -8.307 1.00 0.00 C ATOM 1833 CG LYS A 116 14.944 -11.220 -9.140 1.00 0.00 C ATOM 1834 CD LYS A 116 16.024 -10.145 -8.998 1.00 0.00 C ATOM 1835 CE LYS A 116 17.377 -10.658 -9.493 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.311 -10.987 -10.935 1.00 0.00 N ATOM 0 H LYS A 116 11.440 -10.582 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 116 12.332 -11.666 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.412 -9.842 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.951 -10.937 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.342 -12.184 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.663 -11.322 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.737 -9.259 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.106 -9.842 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 116 18.144 -9.903 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.667 -11.542 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.270 -11.170 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.723 -11.834 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.894 -10.188 -11.455 1.00 0.00 H new ATOM 1850 N GLU A 117 13.394 -13.606 -7.259 1.00 0.00 N ATOM 1851 CA GLU A 117 13.761 -14.975 -6.941 1.00 0.00 C ATOM 1852 C GLU A 117 12.734 -15.949 -7.520 1.00 0.00 C ATOM 1853 O GLU A 117 13.051 -16.734 -8.413 1.00 0.00 O ATOM 1854 CB GLU A 117 13.907 -15.167 -5.430 1.00 0.00 C ATOM 1855 CG GLU A 117 15.272 -14.676 -4.943 1.00 0.00 C ATOM 1856 CD GLU A 117 16.393 -15.590 -5.442 1.00 0.00 C ATOM 1857 OE1 GLU A 117 16.185 -16.822 -5.391 1.00 0.00 O ATOM 1858 OE2 GLU A 117 17.431 -15.037 -5.864 1.00 0.00 O ATOM 0 H GLU A 117 13.561 -12.935 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 117 14.729 -15.185 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.116 -14.624 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.786 -16.221 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.443 -13.659 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.283 -14.642 -3.854 1.00 0.00 H new ATOM 1865 N CYS A 118 11.522 -15.867 -6.989 1.00 0.00 N ATOM 1866 CA CYS A 118 10.446 -16.732 -7.443 1.00 0.00 C ATOM 1867 C CYS A 118 10.447 -16.737 -8.973 1.00 0.00 C ATOM 1868 O CYS A 118 10.696 -17.770 -9.593 1.00 0.00 O ATOM 1869 CB CYS A 118 9.094 -16.297 -6.875 1.00 0.00 C ATOM 1870 SG CYS A 118 8.073 -17.768 -6.496 1.00 0.00 S ATOM 0 H CYS A 118 11.262 -15.215 -6.249 1.00 0.00 H new ATOM 0 HA CYS A 118 10.611 -17.745 -7.077 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.243 -15.705 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.577 -15.660 -7.592 1.00 0.00 H new ATOM 0 HG CYS A 118 6.928 -17.388 -6.012 1.00 0.00 H new ATOM 1876 N LYS A 119 10.166 -15.572 -9.537 1.00 0.00 N ATOM 1877 CA LYS A 119 10.132 -15.429 -10.983 1.00 0.00 C ATOM 1878 C LYS A 119 11.298 -16.206 -11.596 1.00 0.00 C ATOM 1879 O LYS A 119 11.089 -17.157 -12.348 1.00 0.00 O ATOM 1880 CB LYS A 119 10.104 -13.951 -11.375 1.00 0.00 C ATOM 1881 CG LYS A 119 8.807 -13.284 -10.911 1.00 0.00 C ATOM 1882 CD LYS A 119 7.630 -13.702 -11.795 1.00 0.00 C ATOM 1883 CE LYS A 119 7.950 -13.482 -13.274 1.00 0.00 C ATOM 1884 NZ LYS A 119 6.730 -13.093 -14.017 1.00 0.00 N ATOM 0 H LYS A 119 9.960 -14.718 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 119 9.215 -15.859 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.959 -13.438 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.199 -13.856 -12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.604 -13.557 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.921 -12.200 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.396 -14.752 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.744 -13.129 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.708 -12.706 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.368 -14.394 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.966 -12.948 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.018 -13.847 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.348 -12.211 -13.620 1.00 0.00 H new ATOM 1898 N GLU A 120 12.502 -15.773 -11.252 1.00 0.00 N ATOM 1899 CA GLU A 120 13.702 -16.416 -11.759 1.00 0.00 C ATOM 1900 C GLU A 120 13.600 -17.934 -11.596 1.00 0.00 C ATOM 1901 O GLU A 120 13.578 -18.667 -12.583 1.00 0.00 O ATOM 1902 CB GLU A 120 14.952 -15.872 -11.062 1.00 0.00 C ATOM 1903 CG GLU A 120 15.465 -14.612 -11.761 1.00 0.00 C ATOM 1904 CD GLU A 120 16.038 -14.945 -13.141 1.00 0.00 C ATOM 1905 OE1 GLU A 120 16.644 -16.032 -13.256 1.00 0.00 O ATOM 1906 OE2 GLU A 120 15.857 -14.105 -14.048 1.00 0.00 O ATOM 0 H GLU A 120 12.672 -14.984 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 120 13.791 -16.189 -12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.723 -15.647 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.732 -16.634 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.652 -13.893 -11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 120 16.233 -14.139 -11.149 1.00 0.00 H new ATOM 1913 N LYS A 121 13.541 -18.360 -10.343 1.00 0.00 N ATOM 1914 CA LYS A 121 13.442 -19.777 -10.038 1.00 0.00 C ATOM 1915 C LYS A 121 12.410 -20.423 -10.965 1.00 0.00 C ATOM 1916 O LYS A 121 11.409 -19.799 -11.315 1.00 0.00 O ATOM 1917 CB LYS A 121 13.149 -19.986 -8.551 1.00 0.00 C ATOM 1918 CG LYS A 121 14.445 -20.148 -7.754 1.00 0.00 C ATOM 1919 CD LYS A 121 14.521 -21.532 -7.107 1.00 0.00 C ATOM 1920 CE LYS A 121 14.775 -22.616 -8.156 1.00 0.00 C ATOM 1921 NZ LYS A 121 16.190 -23.050 -8.120 1.00 0.00 N ATOM 0 H LYS A 121 13.560 -17.748 -9.527 1.00 0.00 H new ATOM 0 HA LYS A 121 14.394 -20.274 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.584 -19.137 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.525 -20.870 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.302 -20.003 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.501 -19.379 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.318 -21.546 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.590 -21.742 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.122 -23.469 -7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.530 -22.235 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.346 -23.786 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.808 -22.237 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 16.412 -23.432 -7.179 1.00 0.00 H new ATOM 1935 N SER A 122 12.690 -21.663 -11.336 1.00 0.00 N ATOM 1936 CA SER A 122 11.798 -22.400 -12.216 1.00 0.00 C ATOM 1937 C SER A 122 10.454 -22.632 -11.524 1.00 0.00 C ATOM 1938 O SER A 122 10.402 -22.828 -10.310 1.00 0.00 O ATOM 1939 CB SER A 122 12.417 -23.735 -12.635 1.00 0.00 C ATOM 1940 OG SER A 122 11.984 -24.141 -13.930 1.00 0.00 O ATOM 0 H SER A 122 13.521 -22.176 -11.044 1.00 0.00 H new ATOM 0 HA SER A 122 11.638 -21.806 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.504 -23.649 -12.626 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.152 -24.502 -11.907 1.00 0.00 H new ATOM 0 HG SER A 122 12.402 -24.996 -14.162 1.00 0.00 H new ATOM 1946 N GLY A 123 9.399 -22.602 -12.324 1.00 0.00 N ATOM 1947 CA GLY A 123 8.058 -22.806 -11.804 1.00 0.00 C ATOM 1948 C GLY A 123 7.004 -22.526 -12.877 1.00 0.00 C ATOM 1949 O GLY A 123 7.311 -22.523 -14.068 1.00 0.00 O ATOM 0 H GLY A 123 9.446 -22.439 -13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.955 -23.831 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.893 -22.152 -10.948 1.00 0.00 H new ATOM 1953 N PRO A 124 5.750 -22.291 -12.404 1.00 0.00 N ATOM 1954 CA PRO A 124 4.650 -22.010 -13.310 1.00 0.00 C ATOM 1955 C PRO A 124 4.745 -20.587 -13.864 1.00 0.00 C ATOM 1956 O PRO A 124 4.657 -19.617 -13.113 1.00 0.00 O ATOM 1957 CB PRO A 124 3.393 -22.244 -12.487 1.00 0.00 C ATOM 1958 CG PRO A 124 3.833 -22.194 -11.033 1.00 0.00 C ATOM 1959 CD PRO A 124 5.350 -22.286 -11.001 1.00 0.00 C ATOM 0 HA PRO A 124 4.658 -22.650 -14.192 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.642 -21.481 -12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.943 -23.208 -12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.497 -21.269 -10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.389 -23.016 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.787 -21.442 -10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.681 -23.191 -10.491 1.00 0.00 H new ATOM 1967 N SER A 125 4.923 -20.507 -15.175 1.00 0.00 N ATOM 1968 CA SER A 125 5.031 -19.219 -15.838 1.00 0.00 C ATOM 1969 C SER A 125 4.247 -19.239 -17.151 1.00 0.00 C ATOM 1970 O SER A 125 4.477 -20.096 -18.003 1.00 0.00 O ATOM 1971 CB SER A 125 6.494 -18.855 -16.100 1.00 0.00 C ATOM 1972 OG SER A 125 6.911 -17.731 -15.329 1.00 0.00 O ATOM 0 H SER A 125 4.995 -21.313 -15.795 1.00 0.00 H new ATOM 0 HA SER A 125 4.608 -18.460 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 125 7.128 -19.710 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.629 -18.638 -17.160 1.00 0.00 H new ATOM 0 HG SER A 125 7.851 -17.531 -15.523 1.00 0.00 H new ATOM 1978 N SER A 126 3.335 -18.285 -17.274 1.00 0.00 N ATOM 1979 CA SER A 126 2.515 -18.182 -18.469 1.00 0.00 C ATOM 1980 C SER A 126 3.217 -17.310 -19.512 1.00 0.00 C ATOM 1981 O SER A 126 3.753 -16.253 -19.183 1.00 0.00 O ATOM 1982 CB SER A 126 1.134 -17.611 -18.142 1.00 0.00 C ATOM 1983 OG SER A 126 0.143 -18.046 -19.069 1.00 0.00 O ATOM 0 H SER A 126 3.146 -17.576 -16.565 1.00 0.00 H new ATOM 0 HA SER A 126 2.377 -19.184 -18.876 1.00 0.00 H new ATOM 0 HB2 SER A 126 0.846 -17.913 -17.135 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.182 -16.522 -18.147 1.00 0.00 H new ATOM 0 HG SER A 126 -0.725 -17.661 -18.825 1.00 0.00 H new ATOM 1989 N GLY A 127 3.191 -17.786 -20.748 1.00 0.00 N ATOM 1990 CA GLY A 127 3.818 -17.063 -21.842 1.00 0.00 C ATOM 1991 C GLY A 127 2.779 -16.288 -22.654 1.00 0.00 C ATOM 1992 O GLY A 127 2.349 -16.743 -23.713 1.00 0.00 O ATOM 0 H GLY A 127 2.746 -18.663 -21.016 1.00 0.00 H new ATOM 0 HA2 GLY A 127 4.564 -16.373 -21.447 1.00 0.00 H new ATOM 0 HA3 GLY A 127 4.344 -17.763 -22.491 1.00 0.00 H new TER 1996 GLY A 127