USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 928 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 17 TYR OH : rot 24:sc= 1.35 USER MOD Set 1.2: A 88 TYR OH : rot -130:sc= 0.788 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -134:sc= -1.55 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.55! C(o=-6.4!,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 37 CYS SG : rot 154:sc= -1.07 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 168:sc= -0.337 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -1.14 (180deg=-2.14!) USER MOD Single : A 47 TYR OH : rot -144:sc= 0.925 USER MOD Single : A 54 TYR OH : rot -111:sc= -0.281 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -160:sc= -2.18 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.7 K(o=-5.7,f=-12!) USER MOD Single : A 80 GLN : amide:sc= -1.02 X(o=-1,f=-0.63) USER MOD Single : A 84 THR OG1 : rot 40:sc= 0.807 USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= -0.616 (180deg=-0.927) USER MOD Single : A 93 LYS NZ :NH3+ -131:sc= -0.891 (180deg=-1.51) USER MOD Single : A 95 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -7:sc= 1.03 USER MOD Single : A 104 THR OG1 : rot -154:sc= -2.56 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -7.62! C(o=-7.6!,f=-9.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.151 23.321 -13.366 1.00 13.00 N ATOM 2 CA GLY A 1 -4.759 22.488 -14.440 1.00 45.03 C ATOM 3 C GLY A 1 -4.840 21.021 -14.061 1.00 64.12 C ATOM 4 O GLY A 1 -3.926 20.251 -14.357 1.00 64.35 O ATOM 0 H1 GLY A 1 -4.118 24.314 -13.673 1.00 13.00 H new ATOM 0 H2 GLY A 1 -4.724 23.245 -12.501 1.00 13.00 H new ATOM 0 H3 GLY A 1 -3.185 22.987 -13.172 1.00 13.00 H new ATOM 0 HA2 GLY A 1 -5.760 22.859 -14.660 1.00 45.03 H new ATOM 0 HA3 GLY A 1 -4.172 22.592 -15.353 1.00 45.03 H new ATOM 10 N PRO A 2 -5.932 20.600 -13.399 1.00 60.03 N ATOM 11 CA PRO A 2 -6.115 19.206 -12.984 1.00 24.15 C ATOM 12 C PRO A 2 -5.925 18.227 -14.138 1.00 55.11 C ATOM 13 O PRO A 2 -5.722 18.633 -15.282 1.00 52.41 O ATOM 14 CB PRO A 2 -7.562 19.169 -12.486 1.00 40.02 C ATOM 15 CG PRO A 2 -7.856 20.569 -12.073 1.00 33.11 C ATOM 16 CD PRO A 2 -7.071 21.450 -13.005 1.00 23.32 C ATOM 0 HA PRO A 2 -5.384 18.907 -12.233 1.00 24.15 H new ATOM 0 HB2 PRO A 2 -8.242 18.836 -13.270 1.00 40.02 H new ATOM 0 HB3 PRO A 2 -7.676 18.478 -11.651 1.00 40.02 H new ATOM 0 HG2 PRO A 2 -8.923 20.780 -12.143 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -7.564 20.739 -11.037 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -7.665 21.752 -13.868 1.00 23.32 H new ATOM 0 HD3 PRO A 2 -6.739 22.363 -12.511 1.00 23.32 H new ATOM 24 N LEU A 3 -5.991 16.936 -13.829 1.00 20.11 N ATOM 25 CA LEU A 3 -5.826 15.899 -14.841 1.00 11.24 C ATOM 26 C LEU A 3 -6.530 14.613 -14.422 1.00 5.54 C ATOM 27 O LEU A 3 -7.333 14.059 -15.173 1.00 0.14 O ATOM 28 CB LEU A 3 -4.340 15.625 -15.083 1.00 61.22 C ATOM 29 CG LEU A 3 -3.971 15.288 -16.529 1.00 63.22 C ATOM 30 CD1 LEU A 3 -3.650 16.555 -17.306 1.00 13.12 C ATOM 31 CD2 LEU A 3 -2.795 14.325 -16.566 1.00 41.23 C ATOM 0 H LEU A 3 -6.157 16.583 -12.887 1.00 20.11 H new ATOM 0 HA LEU A 3 -6.278 16.255 -15.767 1.00 11.24 H new ATOM 0 HB2 LEU A 3 -3.770 16.501 -14.773 1.00 61.22 H new ATOM 0 HB3 LEU A 3 -4.029 14.799 -14.443 1.00 61.22 H new ATOM 0 HG LEU A 3 -4.826 14.804 -17.001 1.00 63.22 H new ATOM 0 HD11 LEU A 3 -3.390 16.296 -18.332 1.00 13.12 H new ATOM 0 HD12 LEU A 3 -4.520 17.212 -17.307 1.00 13.12 H new ATOM 0 HD13 LEU A 3 -2.810 17.067 -16.837 1.00 13.12 H new ATOM 0 HD21 LEU A 3 -2.545 14.095 -17.602 1.00 41.23 H new ATOM 0 HD22 LEU A 3 -1.934 14.783 -16.078 1.00 41.23 H new ATOM 0 HD23 LEU A 3 -3.061 13.406 -16.045 1.00 41.23 H new ATOM 43 N GLY A 4 -6.225 14.142 -13.217 1.00 20.42 N ATOM 44 CA GLY A 4 -6.837 12.925 -12.719 1.00 33.21 C ATOM 45 C GLY A 4 -6.963 12.915 -11.208 1.00 31.00 C ATOM 46 O GLY A 4 -7.957 13.388 -10.658 1.00 34.24 O ATOM 0 H GLY A 4 -5.564 14.582 -12.577 1.00 20.42 H new ATOM 0 HA2 GLY A 4 -7.826 12.811 -13.164 1.00 33.21 H new ATOM 0 HA3 GLY A 4 -6.244 12.067 -13.037 1.00 33.21 H new ATOM 50 N SER A 5 -5.952 12.374 -10.536 1.00 63.13 N ATOM 51 CA SER A 5 -5.954 12.304 -9.079 1.00 23.22 C ATOM 52 C SER A 5 -4.570 12.613 -8.518 1.00 1.31 C ATOM 53 O SER A 5 -3.556 12.191 -9.073 1.00 50.22 O ATOM 54 CB SER A 5 -6.408 10.919 -8.616 1.00 60.14 C ATOM 55 OG SER A 5 -7.742 10.658 -9.019 1.00 12.21 O ATOM 0 H SER A 5 -5.122 11.978 -10.976 1.00 63.13 H new ATOM 0 HA SER A 5 -6.653 13.052 -8.704 1.00 23.22 H new ATOM 0 HB2 SER A 5 -5.745 10.159 -9.029 1.00 60.14 H new ATOM 0 HB3 SER A 5 -6.333 10.852 -7.531 1.00 60.14 H new ATOM 0 HG SER A 5 -8.008 9.766 -8.712 1.00 12.21 H new ATOM 61 N GLU A 6 -4.536 13.351 -7.413 1.00 60.34 N ATOM 62 CA GLU A 6 -3.276 13.716 -6.775 1.00 54.22 C ATOM 63 C GLU A 6 -2.500 12.472 -6.355 1.00 72.21 C ATOM 64 O GLU A 6 -3.074 11.520 -5.827 1.00 23.43 O ATOM 65 CB GLU A 6 -3.536 14.610 -5.560 1.00 42.43 C ATOM 66 CG GLU A 6 -2.983 16.018 -5.711 1.00 23.43 C ATOM 67 CD GLU A 6 -3.735 16.832 -6.746 1.00 14.24 C ATOM 68 OE1 GLU A 6 -3.794 16.397 -7.915 1.00 70.04 O ATOM 69 OE2 GLU A 6 -4.265 17.904 -6.387 1.00 63.03 O ATOM 0 H GLU A 6 -5.367 13.708 -6.941 1.00 60.34 H new ATOM 0 HA GLU A 6 -2.675 14.268 -7.498 1.00 54.22 H new ATOM 0 HB2 GLU A 6 -4.610 14.667 -5.385 1.00 42.43 H new ATOM 0 HB3 GLU A 6 -3.094 14.148 -4.678 1.00 42.43 H new ATOM 0 HG2 GLU A 6 -3.030 16.528 -4.749 1.00 23.43 H new ATOM 0 HG3 GLU A 6 -1.931 15.963 -5.992 1.00 23.43 H new ATOM 76 N GLY A 7 -1.193 12.486 -6.594 1.00 53.15 N ATOM 77 CA GLY A 7 -0.361 11.353 -6.235 1.00 0.43 C ATOM 78 C GLY A 7 -0.751 10.090 -6.980 1.00 11.11 C ATOM 79 O GLY A 7 -1.919 9.907 -7.323 1.00 32.00 O ATOM 0 H GLY A 7 -0.695 13.262 -7.030 1.00 53.15 H new ATOM 0 HA2 GLY A 7 0.682 11.590 -6.447 1.00 0.43 H new ATOM 0 HA3 GLY A 7 -0.436 11.176 -5.162 1.00 0.43 H new ATOM 83 N PRO A 8 0.211 9.192 -7.249 1.00 14.24 N ATOM 84 CA PRO A 8 -0.056 7.943 -7.961 1.00 15.51 C ATOM 85 C PRO A 8 -0.701 6.892 -7.068 1.00 72.52 C ATOM 86 O PRO A 8 -1.697 6.271 -7.437 1.00 41.40 O ATOM 87 CB PRO A 8 1.334 7.483 -8.390 1.00 3.35 C ATOM 88 CG PRO A 8 2.256 8.039 -7.363 1.00 63.20 C ATOM 89 CD PRO A 8 1.635 9.325 -6.879 1.00 34.42 C ATOM 0 HA PRO A 8 -0.754 8.086 -8.786 1.00 15.51 H new ATOM 0 HB2 PRO A 8 1.396 6.395 -8.429 1.00 3.35 H new ATOM 0 HB3 PRO A 8 1.583 7.852 -9.385 1.00 3.35 H new ATOM 0 HG2 PRO A 8 2.387 7.338 -6.539 1.00 63.20 H new ATOM 0 HG3 PRO A 8 3.244 8.221 -7.787 1.00 63.20 H new ATOM 0 HD2 PRO A 8 1.759 9.448 -5.803 1.00 34.42 H new ATOM 0 HD3 PRO A 8 2.092 10.193 -7.354 1.00 34.42 H new ATOM 97 N VAL A 9 -0.118 6.697 -5.892 1.00 44.12 N ATOM 98 CA VAL A 9 -0.620 5.721 -4.939 1.00 62.33 C ATOM 99 C VAL A 9 -1.970 6.155 -4.376 1.00 22.23 C ATOM 100 O VAL A 9 -2.319 7.335 -4.408 1.00 54.03 O ATOM 101 CB VAL A 9 0.400 5.506 -3.793 1.00 64.01 C ATOM 102 CG1 VAL A 9 -0.255 5.605 -2.419 1.00 13.52 C ATOM 103 CG2 VAL A 9 1.107 4.173 -3.957 1.00 42.03 C ATOM 0 H VAL A 9 0.707 7.206 -5.576 1.00 44.12 H new ATOM 0 HA VAL A 9 -0.758 4.775 -5.463 1.00 62.33 H new ATOM 0 HB VAL A 9 1.138 6.306 -3.856 1.00 64.01 H new ATOM 0 HG11 VAL A 9 0.497 5.448 -1.645 1.00 13.52 H new ATOM 0 HG12 VAL A 9 -0.699 6.593 -2.298 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -1.031 4.845 -2.330 1.00 13.52 H new ATOM 0 HG21 VAL A 9 1.820 4.037 -3.144 1.00 42.03 H new ATOM 0 HG22 VAL A 9 0.374 3.367 -3.935 1.00 42.03 H new ATOM 0 HG23 VAL A 9 1.636 4.156 -4.910 1.00 42.03 H new ATOM 113 N THR A 10 -2.721 5.192 -3.856 1.00 5.01 N ATOM 114 CA THR A 10 -4.027 5.473 -3.283 1.00 75.12 C ATOM 115 C THR A 10 -3.920 5.722 -1.783 1.00 31.32 C ATOM 116 O THR A 10 -4.047 4.798 -0.976 1.00 72.42 O ATOM 117 CB THR A 10 -4.989 4.315 -3.552 1.00 63.14 C ATOM 118 OG1 THR A 10 -4.832 3.831 -4.874 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.442 4.694 -3.371 1.00 13.33 C ATOM 0 H THR A 10 -2.446 4.210 -3.820 1.00 5.01 H new ATOM 0 HA THR A 10 -4.416 6.374 -3.757 1.00 75.12 H new ATOM 0 HB THR A 10 -4.735 3.549 -2.819 1.00 63.14 H new ATOM 0 HG1 THR A 10 -5.713 3.712 -5.286 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.072 3.829 -3.577 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.606 5.027 -2.346 1.00 13.33 H new ATOM 0 HG23 THR A 10 -6.696 5.500 -4.060 1.00 13.33 H new ATOM 127 N VAL A 11 -3.691 6.977 -1.413 1.00 71.41 N ATOM 128 CA VAL A 11 -3.578 7.347 -0.010 1.00 3.10 C ATOM 129 C VAL A 11 -4.944 7.291 0.658 1.00 13.32 C ATOM 130 O VAL A 11 -5.718 8.246 0.597 1.00 52.32 O ATOM 131 CB VAL A 11 -2.989 8.756 0.161 1.00 61.10 C ATOM 132 CG1 VAL A 11 -2.660 9.026 1.621 1.00 2.44 C ATOM 133 CG2 VAL A 11 -1.757 8.932 -0.715 1.00 12.43 C ATOM 0 H VAL A 11 -3.580 7.753 -2.065 1.00 71.41 H new ATOM 0 HA VAL A 11 -2.903 6.633 0.462 1.00 3.10 H new ATOM 0 HB VAL A 11 -3.737 9.482 -0.157 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -2.244 10.029 1.721 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -3.568 8.949 2.219 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -1.932 8.295 1.971 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -1.355 9.936 -0.580 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.002 8.198 -0.433 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -2.030 8.789 -1.760 1.00 12.43 H new ATOM 143 N VAL A 12 -5.238 6.158 1.277 1.00 12.21 N ATOM 144 CA VAL A 12 -6.515 5.956 1.941 1.00 51.53 C ATOM 145 C VAL A 12 -6.377 6.079 3.454 1.00 64.22 C ATOM 146 O VAL A 12 -5.459 5.516 4.050 1.00 52.11 O ATOM 147 CB VAL A 12 -7.083 4.568 1.590 1.00 72.12 C ATOM 148 CG1 VAL A 12 -6.307 3.478 2.302 1.00 64.02 C ATOM 149 CG2 VAL A 12 -8.557 4.478 1.930 1.00 65.23 C ATOM 0 H VAL A 12 -4.605 5.360 1.333 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.197 6.731 1.591 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.976 4.425 0.515 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -6.724 2.505 2.041 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -5.261 3.518 1.998 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -6.378 3.626 3.380 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -8.930 3.487 1.671 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -8.695 4.651 2.997 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -9.107 5.231 1.366 1.00 65.23 H new ATOM 159 N VAL A 13 -7.298 6.806 4.074 1.00 73.01 N ATOM 160 CA VAL A 13 -7.272 6.979 5.517 1.00 12.41 C ATOM 161 C VAL A 13 -7.991 5.826 6.202 1.00 65.31 C ATOM 162 O VAL A 13 -8.686 5.043 5.554 1.00 22.01 O ATOM 163 CB VAL A 13 -7.923 8.306 5.948 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.033 9.483 5.581 1.00 61.55 C ATOM 165 CG2 VAL A 13 -9.302 8.455 5.326 1.00 24.13 C ATOM 0 H VAL A 13 -8.067 7.282 3.602 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.225 6.996 5.818 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.041 8.294 7.032 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -7.510 10.412 5.894 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.071 9.382 6.084 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -6.879 9.500 4.502 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -9.744 9.399 5.644 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -9.214 8.442 4.240 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -9.938 7.630 5.648 1.00 24.13 H new ATOM 175 N ALA A 14 -7.824 5.725 7.513 1.00 50.31 N ATOM 176 CA ALA A 14 -8.463 4.666 8.283 1.00 20.23 C ATOM 177 C ALA A 14 -9.973 4.653 8.058 1.00 61.22 C ATOM 178 O ALA A 14 -10.638 3.645 8.296 1.00 75.33 O ATOM 179 CB ALA A 14 -8.150 4.836 9.760 1.00 3.45 C ATOM 0 H ALA A 14 -7.252 6.363 8.066 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.066 3.710 7.942 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.632 4.040 10.328 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -7.072 4.788 9.911 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.522 5.802 10.102 1.00 3.45 H new ATOM 185 N LYS A 15 -10.507 5.783 7.604 1.00 73.33 N ATOM 186 CA LYS A 15 -11.934 5.911 7.352 1.00 2.31 C ATOM 187 C LYS A 15 -12.360 5.108 6.121 1.00 0.43 C ATOM 188 O LYS A 15 -13.516 4.699 6.015 1.00 73.50 O ATOM 189 CB LYS A 15 -12.295 7.392 7.179 1.00 53.11 C ATOM 190 CG LYS A 15 -13.594 7.632 6.427 1.00 42.31 C ATOM 191 CD LYS A 15 -14.057 9.074 6.558 1.00 3.33 C ATOM 192 CE LYS A 15 -15.133 9.219 7.623 1.00 2.15 C ATOM 193 NZ LYS A 15 -15.197 10.606 8.162 1.00 24.30 N ATOM 0 H LYS A 15 -9.968 6.625 7.403 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.472 5.505 8.209 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.367 7.854 8.163 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -11.484 7.893 6.650 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.456 7.388 5.374 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -14.366 6.965 6.811 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -13.207 9.709 6.809 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -14.443 9.422 5.600 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -16.101 8.949 7.201 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -14.934 8.522 8.437 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -15.942 10.663 8.885 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -14.282 10.856 8.588 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -15.412 11.269 7.390 1.00 24.30 H new ATOM 207 N ASN A 16 -11.434 4.889 5.187 1.00 62.45 N ATOM 208 CA ASN A 16 -11.758 4.139 3.972 1.00 24.10 C ATOM 209 C ASN A 16 -10.815 2.962 3.740 1.00 13.24 C ATOM 210 O ASN A 16 -11.012 2.189 2.809 1.00 70.35 O ATOM 211 CB ASN A 16 -11.743 5.043 2.737 1.00 75.23 C ATOM 212 CG ASN A 16 -11.637 6.510 3.062 1.00 52.33 C ATOM 213 OD1 ASN A 16 -10.437 7.031 2.940 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -12.621 7.163 3.408 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.469 5.214 5.245 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.763 3.746 4.125 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -10.905 4.759 2.100 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.653 4.872 2.161 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -13.531 6.710 3.487 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -12.526 8.157 3.615 1.00 72.22 H new ATOM 221 N TYR A 17 -9.791 2.826 4.570 1.00 73.13 N ATOM 222 CA TYR A 17 -8.837 1.743 4.428 1.00 31.51 C ATOM 223 C TYR A 17 -9.518 0.371 4.407 1.00 30.21 C ATOM 224 O TYR A 17 -8.941 -0.604 3.927 1.00 22.14 O ATOM 225 CB TYR A 17 -7.833 1.816 5.570 1.00 10.24 C ATOM 226 CG TYR A 17 -7.651 0.507 6.309 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.937 -0.540 5.744 1.00 60.52 C ATOM 228 CD2 TYR A 17 -8.220 0.315 7.559 1.00 41.43 C ATOM 229 CE1 TYR A 17 -6.791 -1.743 6.407 1.00 61.12 C ATOM 230 CE2 TYR A 17 -8.076 -0.882 8.232 1.00 53.20 C ATOM 231 CZ TYR A 17 -7.362 -1.908 7.652 1.00 1.23 C ATOM 232 OH TYR A 17 -7.222 -3.103 8.318 1.00 64.43 O ATOM 0 H TYR A 17 -9.602 3.456 5.350 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.329 1.859 3.471 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.869 2.136 5.174 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.156 2.580 6.277 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.488 -0.412 4.770 1.00 60.52 H new ATOM 0 HD2 TYR A 17 -8.785 1.115 8.014 1.00 41.43 H new ATOM 0 HE1 TYR A 17 -6.233 -2.549 5.954 1.00 61.12 H new ATOM 0 HE2 TYR A 17 -8.520 -1.013 9.207 1.00 53.20 H new ATOM 0 HH TYR A 17 -6.423 -3.568 7.992 1.00 64.43 H new ATOM 242 N ASN A 18 -10.745 0.296 4.907 1.00 10.22 N ATOM 243 CA ASN A 18 -11.479 -0.961 4.917 1.00 34.50 C ATOM 244 C ASN A 18 -12.397 -1.004 3.711 1.00 51.55 C ATOM 245 O ASN A 18 -13.125 -1.971 3.484 1.00 73.34 O ATOM 246 CB ASN A 18 -12.290 -1.102 6.206 1.00 33.25 C ATOM 247 CG ASN A 18 -11.410 -1.320 7.422 1.00 43.31 C ATOM 248 OD1 ASN A 18 -11.099 -2.455 7.782 1.00 72.43 O ATOM 249 ND2 ASN A 18 -11.004 -0.229 8.061 1.00 21.11 N ATOM 0 H ASN A 18 -11.250 1.086 5.308 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.774 -1.791 4.872 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.892 -0.206 6.353 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -12.982 -1.938 6.107 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -10.410 -0.312 8.886 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -11.286 0.692 7.727 1.00 21.11 H new ATOM 256 N GLU A 19 -12.360 0.085 2.962 1.00 74.43 N ATOM 257 CA GLU A 19 -13.168 0.262 1.790 1.00 71.35 C ATOM 258 C GLU A 19 -12.314 0.260 0.521 1.00 43.22 C ATOM 259 O GLU A 19 -12.801 -0.045 -0.567 1.00 73.12 O ATOM 260 CB GLU A 19 -13.888 1.592 1.944 1.00 22.30 C ATOM 261 CG GLU A 19 -15.374 1.506 1.705 1.00 32.11 C ATOM 262 CD GLU A 19 -15.792 2.082 0.366 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.084 2.978 -0.141 1.00 13.41 O ATOM 264 OE2 GLU A 19 -16.826 1.637 -0.175 1.00 3.41 O ATOM 0 H GLU A 19 -11.753 0.880 3.164 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.878 -0.560 1.693 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -13.712 1.977 2.949 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.458 2.311 1.247 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.686 0.463 1.759 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -15.896 2.036 2.502 1.00 32.11 H new ATOM 271 N ILE A 20 -11.043 0.631 0.669 1.00 42.00 N ATOM 272 CA ILE A 20 -10.126 0.703 -0.462 1.00 52.51 C ATOM 273 C ILE A 20 -9.030 -0.357 -0.399 1.00 35.23 C ATOM 274 O ILE A 20 -8.718 -0.994 -1.404 1.00 61.03 O ATOM 275 CB ILE A 20 -9.446 2.079 -0.528 1.00 24.15 C ATOM 276 CG1 ILE A 20 -10.449 3.195 -0.221 1.00 54.14 C ATOM 277 CG2 ILE A 20 -8.803 2.284 -1.889 1.00 31.52 C ATOM 278 CD1 ILE A 20 -11.508 3.375 -1.286 1.00 65.13 C ATOM 0 H ILE A 20 -10.626 0.886 1.564 1.00 42.00 H new ATOM 0 HA ILE A 20 -10.735 0.529 -1.349 1.00 52.51 H new ATOM 0 HB ILE A 20 -8.663 2.116 0.230 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -10.936 2.981 0.730 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -9.908 4.133 -0.098 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -8.325 3.263 -1.922 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.055 1.509 -2.059 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -9.567 2.227 -2.665 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.181 4.183 -0.997 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -11.032 3.621 -2.235 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.076 2.451 -1.394 1.00 65.13 H new ATOM 290 N VAL A 21 -8.438 -0.536 0.779 1.00 13.15 N ATOM 291 CA VAL A 21 -7.369 -1.513 0.952 1.00 74.31 C ATOM 292 C VAL A 21 -7.942 -2.875 1.271 1.00 32.11 C ATOM 293 O VAL A 21 -7.324 -3.907 1.014 1.00 30.43 O ATOM 294 CB VAL A 21 -6.409 -1.100 2.088 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.317 -2.141 2.297 1.00 12.14 C ATOM 296 CG2 VAL A 21 -5.803 0.261 1.802 1.00 4.12 C ATOM 0 H VAL A 21 -8.680 -0.019 1.624 1.00 13.15 H new ATOM 0 HA VAL A 21 -6.814 -1.554 0.015 1.00 74.31 H new ATOM 0 HB VAL A 21 -6.988 -1.037 3.009 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.658 -1.820 3.104 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.771 -3.097 2.558 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.740 -2.252 1.379 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.129 0.537 2.613 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.247 0.222 0.865 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.597 1.003 1.722 1.00 4.12 H new ATOM 306 N LEU A 22 -9.129 -2.865 1.836 1.00 62.02 N ATOM 307 CA LEU A 22 -9.798 -4.085 2.210 1.00 15.22 C ATOM 308 C LEU A 22 -10.791 -4.507 1.141 1.00 41.35 C ATOM 309 O LEU A 22 -11.713 -5.280 1.397 1.00 65.21 O ATOM 310 CB LEU A 22 -10.484 -3.867 3.543 1.00 73.24 C ATOM 311 CG LEU A 22 -10.625 -5.116 4.411 1.00 62.35 C ATOM 312 CD1 LEU A 22 -10.084 -4.858 5.807 1.00 60.20 C ATOM 313 CD2 LEU A 22 -12.075 -5.571 4.467 1.00 13.10 C ATOM 0 H LEU A 22 -9.652 -2.015 2.047 1.00 62.02 H new ATOM 0 HA LEU A 22 -9.071 -4.892 2.304 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.927 -3.116 4.102 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.477 -3.456 3.360 1.00 73.24 H new ATOM 0 HG LEU A 22 -10.038 -5.916 3.961 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -10.193 -5.759 6.411 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -9.030 -4.588 5.745 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -10.641 -4.042 6.268 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -12.153 -6.462 5.090 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -12.689 -4.777 4.891 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -12.423 -5.801 3.460 1.00 13.10 H new ATOM 325 N ASP A 23 -10.582 -3.997 -0.065 1.00 73.33 N ATOM 326 CA ASP A 23 -11.442 -4.323 -1.189 1.00 10.24 C ATOM 327 C ASP A 23 -10.966 -5.607 -1.863 1.00 65.21 C ATOM 328 O ASP A 23 -9.822 -5.694 -2.310 1.00 42.23 O ATOM 329 CB ASP A 23 -11.462 -3.174 -2.199 1.00 34.23 C ATOM 330 CG ASP A 23 -12.826 -2.985 -2.833 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.626 -3.944 -2.819 1.00 23.33 O ATOM 332 OD2 ASP A 23 -13.094 -1.877 -3.344 1.00 43.53 O ATOM 0 H ASP A 23 -9.822 -3.355 -0.288 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.455 -4.476 -0.816 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.165 -2.251 -1.701 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.725 -3.367 -2.979 1.00 34.23 H new ATOM 337 N ASP A 24 -11.841 -6.605 -1.926 1.00 43.30 N ATOM 338 CA ASP A 24 -11.496 -7.886 -2.538 1.00 4.41 C ATOM 339 C ASP A 24 -11.479 -7.797 -4.067 1.00 13.13 C ATOM 340 O ASP A 24 -11.169 -8.776 -4.747 1.00 73.32 O ATOM 341 CB ASP A 24 -12.474 -8.972 -2.077 1.00 72.31 C ATOM 342 CG ASP A 24 -12.274 -10.292 -2.797 1.00 44.42 C ATOM 343 OD1 ASP A 24 -12.813 -10.447 -3.913 1.00 4.20 O ATOM 344 OD2 ASP A 24 -11.579 -11.171 -2.245 1.00 54.41 O ATOM 0 H ASP A 24 -12.792 -6.553 -1.562 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.489 -8.150 -2.213 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.357 -9.128 -1.005 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -13.495 -8.627 -2.239 1.00 72.31 H new ATOM 349 N THR A 25 -11.803 -6.626 -4.606 1.00 53.34 N ATOM 350 CA THR A 25 -11.813 -6.431 -6.050 1.00 13.33 C ATOM 351 C THR A 25 -10.392 -6.411 -6.607 1.00 21.11 C ATOM 352 O THR A 25 -10.176 -6.670 -7.791 1.00 50.55 O ATOM 353 CB THR A 25 -12.531 -5.129 -6.405 1.00 15.52 C ATOM 354 OG1 THR A 25 -11.768 -4.008 -5.994 1.00 52.32 O ATOM 355 CG2 THR A 25 -13.900 -5.009 -5.772 1.00 12.41 C ATOM 0 H THR A 25 -12.061 -5.800 -4.066 1.00 53.34 H new ATOM 0 HA THR A 25 -12.348 -7.267 -6.500 1.00 13.33 H new ATOM 0 HB THR A 25 -12.650 -5.151 -7.488 1.00 15.52 H new ATOM 0 HG1 THR A 25 -12.243 -3.184 -6.231 1.00 52.32 H new ATOM 0 HG21 THR A 25 -14.354 -4.062 -6.065 1.00 12.41 H new ATOM 0 HG22 THR A 25 -14.530 -5.833 -6.108 1.00 12.41 H new ATOM 0 HG23 THR A 25 -13.804 -5.045 -4.687 1.00 12.41 H new ATOM 363 N LYS A 26 -9.425 -6.099 -5.747 1.00 64.34 N ATOM 364 CA LYS A 26 -8.028 -6.042 -6.158 1.00 52.34 C ATOM 365 C LYS A 26 -7.098 -6.120 -4.949 1.00 41.14 C ATOM 366 O LYS A 26 -7.503 -5.826 -3.825 1.00 70.12 O ATOM 367 CB LYS A 26 -7.758 -4.754 -6.939 1.00 43.41 C ATOM 368 CG LYS A 26 -8.528 -3.550 -6.419 1.00 45.11 C ATOM 369 CD LYS A 26 -7.758 -2.258 -6.636 1.00 24.03 C ATOM 370 CE LYS A 26 -8.559 -1.049 -6.182 1.00 22.42 C ATOM 371 NZ LYS A 26 -9.232 -0.368 -7.323 1.00 4.32 N ATOM 0 H LYS A 26 -9.585 -5.882 -4.763 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.830 -6.900 -6.801 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.691 -4.535 -6.903 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -8.015 -4.914 -7.986 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -9.492 -3.489 -6.923 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -8.732 -3.679 -5.356 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -6.816 -2.298 -6.089 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -7.509 -2.155 -7.692 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.307 -1.362 -5.454 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -7.898 -0.344 -5.677 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -9.768 0.451 -6.971 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -8.517 -0.047 -8.006 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -9.882 -1.032 -7.789 1.00 4.32 H new ATOM 385 N ASP A 27 -5.846 -6.503 -5.190 1.00 24.42 N ATOM 386 CA ASP A 27 -4.862 -6.599 -4.123 1.00 22.11 C ATOM 387 C ASP A 27 -4.383 -5.207 -3.746 1.00 12.42 C ATOM 388 O ASP A 27 -3.974 -4.430 -4.609 1.00 4.03 O ATOM 389 CB ASP A 27 -3.678 -7.464 -4.561 1.00 1.12 C ATOM 390 CG ASP A 27 -4.061 -8.919 -4.748 1.00 23.20 C ATOM 391 OD1 ASP A 27 -5.275 -9.215 -4.782 1.00 44.20 O ATOM 392 OD2 ASP A 27 -3.148 -9.763 -4.862 1.00 61.20 O ATOM 0 H ASP A 27 -5.493 -6.751 -6.114 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.326 -7.068 -3.255 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.274 -7.075 -5.495 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.885 -7.393 -3.817 1.00 1.12 H new ATOM 397 N VAL A 28 -4.461 -4.878 -2.466 1.00 13.21 N ATOM 398 CA VAL A 28 -4.055 -3.556 -2.009 1.00 73.13 C ATOM 399 C VAL A 28 -2.938 -3.621 -0.975 1.00 22.42 C ATOM 400 O VAL A 28 -3.014 -4.372 -0.002 1.00 22.43 O ATOM 401 CB VAL A 28 -5.244 -2.777 -1.415 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.020 -1.280 -1.547 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.549 -3.184 -2.088 1.00 74.34 C ATOM 0 H VAL A 28 -4.798 -5.500 -1.731 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.682 -3.034 -2.890 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.317 -3.023 -0.356 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -5.870 -0.746 -1.122 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.112 -1.000 -1.013 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -4.917 -1.019 -2.600 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.374 -2.621 -1.652 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.489 -2.972 -3.156 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.718 -4.250 -1.938 1.00 74.34 H new ATOM 413 N LEU A 29 -1.908 -2.809 -1.191 1.00 22.35 N ATOM 414 CA LEU A 29 -0.772 -2.742 -0.281 1.00 32.45 C ATOM 415 C LEU A 29 -0.839 -1.471 0.541 1.00 41.43 C ATOM 416 O LEU A 29 -0.559 -0.389 0.036 1.00 13.44 O ATOM 417 CB LEU A 29 0.542 -2.764 -1.056 1.00 2.32 C ATOM 418 CG LEU A 29 1.736 -3.332 -0.283 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.962 -4.794 -0.636 1.00 50.44 C ATOM 420 CD2 LEU A 29 2.989 -2.514 -0.559 1.00 4.34 C ATOM 0 H LEU A 29 -1.838 -2.185 -1.994 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.814 -3.610 0.377 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.402 -3.352 -1.963 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.780 -1.747 -1.368 1.00 2.32 H new ATOM 0 HG LEU A 29 1.513 -3.271 0.782 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.815 -5.176 -0.075 1.00 50.44 H new ATOM 0 HD12 LEU A 29 1.073 -5.371 -0.382 1.00 50.44 H new ATOM 0 HD13 LEU A 29 2.160 -4.884 -1.704 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.827 -2.932 -0.001 1.00 4.34 H new ATOM 0 HD22 LEU A 29 3.213 -2.541 -1.625 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.826 -1.482 -0.248 1.00 4.34 H new ATOM 432 N ILE A 30 -1.215 -1.597 1.804 1.00 72.20 N ATOM 433 CA ILE A 30 -1.316 -0.421 2.664 1.00 41.13 C ATOM 434 C ILE A 30 -0.048 -0.205 3.484 1.00 41.14 C ATOM 435 O ILE A 30 0.427 -1.114 4.164 1.00 2.42 O ATOM 436 CB ILE A 30 -2.536 -0.500 3.609 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.136 0.904 3.797 1.00 44.24 C ATOM 438 CG2 ILE A 30 -2.150 -1.128 4.949 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.937 1.076 5.063 1.00 63.54 C ATOM 0 H ILE A 30 -1.452 -2.482 2.253 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.448 0.431 1.997 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.293 -1.143 3.160 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.327 1.635 3.791 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.776 1.130 2.944 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -3.026 -1.172 5.596 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.771 -2.136 4.782 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.378 -0.524 5.425 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.322 2.094 5.114 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.770 0.372 5.065 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.299 0.886 5.926 1.00 63.54 H new ATOM 451 N GLU A 31 0.492 1.008 3.425 1.00 61.25 N ATOM 452 CA GLU A 31 1.696 1.333 4.178 1.00 30.23 C ATOM 453 C GLU A 31 1.440 2.454 5.188 1.00 70.24 C ATOM 454 O GLU A 31 1.311 3.623 4.828 1.00 52.11 O ATOM 455 CB GLU A 31 2.852 1.705 3.235 1.00 53.44 C ATOM 456 CG GLU A 31 2.755 3.098 2.627 1.00 31.40 C ATOM 457 CD GLU A 31 3.979 3.465 1.809 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.941 2.669 1.789 1.00 42.43 O ATOM 459 OE2 GLU A 31 3.975 4.550 1.191 1.00 41.43 O ATOM 0 H GLU A 31 0.118 1.776 2.868 1.00 61.25 H new ATOM 0 HA GLU A 31 1.983 0.442 4.736 1.00 30.23 H new ATOM 0 HB2 GLU A 31 3.790 1.628 3.785 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.894 0.973 2.428 1.00 53.44 H new ATOM 0 HG2 GLU A 31 1.870 3.153 1.994 1.00 31.40 H new ATOM 0 HG3 GLU A 31 2.623 3.830 3.424 1.00 31.40 H new ATOM 466 N PHE A 32 1.384 2.084 6.463 1.00 61.02 N ATOM 467 CA PHE A 32 1.174 3.048 7.536 1.00 65.22 C ATOM 468 C PHE A 32 2.402 3.930 7.669 1.00 74.45 C ATOM 469 O PHE A 32 3.526 3.434 7.589 1.00 1.24 O ATOM 470 CB PHE A 32 0.932 2.332 8.861 1.00 73.53 C ATOM 471 CG PHE A 32 -0.264 1.422 8.849 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.169 0.135 8.343 1.00 34.11 C ATOM 473 CD2 PHE A 32 -1.483 1.855 9.344 1.00 75.21 C ATOM 474 CE1 PHE A 32 -1.268 -0.702 8.331 1.00 23.20 C ATOM 475 CE2 PHE A 32 -2.586 1.022 9.335 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.478 -0.258 8.828 1.00 52.32 C ATOM 0 H PHE A 32 1.482 1.119 6.779 1.00 61.02 H new ATOM 0 HA PHE A 32 0.300 3.653 7.294 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.817 1.750 9.116 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.803 3.076 9.647 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.775 -0.217 7.954 1.00 34.11 H new ATOM 0 HD2 PHE A 32 -1.573 2.855 9.742 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -1.181 -1.702 7.933 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -3.531 1.372 9.724 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.338 -0.911 8.820 1.00 52.32 H new ATOM 486 N TYR A 33 2.192 5.229 7.865 1.00 41.11 N ATOM 487 CA TYR A 33 3.308 6.158 7.996 1.00 65.10 C ATOM 488 C TYR A 33 2.922 7.416 8.762 1.00 0.14 C ATOM 489 O TYR A 33 1.853 7.501 9.367 1.00 21.44 O ATOM 490 CB TYR A 33 3.821 6.554 6.611 1.00 55.23 C ATOM 491 CG TYR A 33 2.828 7.378 5.818 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.669 6.804 5.309 1.00 40.24 C ATOM 493 CD2 TYR A 33 3.044 8.732 5.589 1.00 44.32 C ATOM 494 CE1 TYR A 33 0.756 7.555 4.593 1.00 61.35 C ATOM 495 CE2 TYR A 33 2.135 9.489 4.875 1.00 24.31 C ATOM 496 CZ TYR A 33 0.994 8.897 4.379 1.00 73.12 C ATOM 497 OH TYR A 33 0.086 9.648 3.668 1.00 23.25 O ATOM 0 H TYR A 33 1.269 5.658 7.936 1.00 41.11 H new ATOM 0 HA TYR A 33 4.089 5.646 8.559 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.746 7.120 6.722 1.00 55.23 H new ATOM 0 HB3 TYR A 33 4.065 5.652 6.050 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.479 5.754 5.476 1.00 40.24 H new ATOM 0 HD2 TYR A 33 3.937 9.200 5.976 1.00 44.32 H new ATOM 0 HE1 TYR A 33 -0.139 7.094 4.203 1.00 61.35 H new ATOM 0 HE2 TYR A 33 2.318 10.540 4.706 1.00 24.31 H new ATOM 0 HH TYR A 33 0.402 10.574 3.608 1.00 23.25 H new ATOM 507 N ALA A 34 3.816 8.395 8.707 1.00 72.21 N ATOM 508 CA ALA A 34 3.620 9.676 9.362 1.00 21.32 C ATOM 509 C ALA A 34 4.204 10.788 8.494 1.00 43.41 C ATOM 510 O ALA A 34 4.782 10.519 7.442 1.00 1.30 O ATOM 511 CB ALA A 34 4.267 9.668 10.739 1.00 75.21 C ATOM 0 H ALA A 34 4.700 8.320 8.204 1.00 72.21 H new ATOM 0 HA ALA A 34 2.553 9.856 9.492 1.00 21.32 H new ATOM 0 HB1 ALA A 34 4.113 10.634 11.219 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.817 8.884 11.348 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.336 9.480 10.638 1.00 75.21 H new ATOM 517 N PRO A 35 4.076 12.049 8.919 1.00 54.30 N ATOM 518 CA PRO A 35 4.603 13.184 8.178 1.00 5.43 C ATOM 519 C PRO A 35 6.014 13.525 8.620 1.00 35.33 C ATOM 520 O PRO A 35 6.754 14.228 7.932 1.00 62.40 O ATOM 521 CB PRO A 35 3.637 14.290 8.572 1.00 42.25 C ATOM 522 CG PRO A 35 3.252 13.974 9.983 1.00 35.10 C ATOM 523 CD PRO A 35 3.426 12.483 10.166 1.00 41.21 C ATOM 0 HA PRO A 35 4.672 13.010 7.104 1.00 5.43 H new ATOM 0 HB2 PRO A 35 4.107 15.271 8.500 1.00 42.25 H new ATOM 0 HB3 PRO A 35 2.765 14.306 7.918 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.878 14.524 10.686 1.00 35.10 H new ATOM 0 HG3 PRO A 35 2.220 14.268 10.176 1.00 35.10 H new ATOM 0 HD2 PRO A 35 4.040 12.256 11.037 1.00 41.21 H new ATOM 0 HD3 PRO A 35 2.468 11.984 10.313 1.00 41.21 H new ATOM 531 N TRP A 36 6.362 13.017 9.790 1.00 31.21 N ATOM 532 CA TRP A 36 7.677 13.246 10.381 1.00 75.21 C ATOM 533 C TRP A 36 8.468 11.953 10.499 1.00 62.33 C ATOM 534 O TRP A 36 9.392 11.844 11.306 1.00 1.45 O ATOM 535 CB TRP A 36 7.511 13.872 11.755 1.00 52.43 C ATOM 536 CG TRP A 36 6.587 13.106 12.657 1.00 41.11 C ATOM 537 CD1 TRP A 36 6.189 11.806 12.519 1.00 21.41 C ATOM 538 CD2 TRP A 36 5.941 13.598 13.838 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.332 11.463 13.535 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.167 12.544 14.360 1.00 14.12 C ATOM 541 CE3 TRP A 36 5.943 14.827 14.504 1.00 31.24 C ATOM 542 CZ2 TRP A 36 4.403 12.683 15.516 1.00 12.14 C ATOM 543 CZ3 TRP A 36 5.185 14.963 15.652 1.00 62.31 C ATOM 544 CH2 TRP A 36 4.424 13.897 16.148 1.00 0.12 C ATOM 0 H TRP A 36 5.746 12.436 10.358 1.00 31.21 H new ATOM 0 HA TRP A 36 8.231 13.920 9.728 1.00 75.21 H new ATOM 0 HB2 TRP A 36 8.489 13.948 12.231 1.00 52.43 H new ATOM 0 HB3 TRP A 36 7.133 14.888 11.639 1.00 52.43 H new ATOM 0 HD1 TRP A 36 6.503 11.144 11.725 1.00 21.41 H new ATOM 0 HE1 TRP A 36 4.890 10.552 13.656 1.00 33.33 H new ATOM 0 HE3 TRP A 36 6.526 15.655 14.129 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 3.815 11.862 15.900 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 5.180 15.908 16.175 1.00 62.31 H new ATOM 0 HH2 TRP A 36 3.842 14.036 17.047 1.00 0.12 H new ATOM 555 N CYS A 37 8.091 10.976 9.696 1.00 12.21 N ATOM 556 CA CYS A 37 8.751 9.679 9.705 1.00 73.34 C ATOM 557 C CYS A 37 9.786 9.578 8.591 1.00 74.40 C ATOM 558 O CYS A 37 9.444 9.596 7.409 1.00 21.03 O ATOM 559 CB CYS A 37 7.716 8.565 9.556 1.00 61.20 C ATOM 560 SG CYS A 37 7.950 7.184 10.699 1.00 11.22 S ATOM 0 H CYS A 37 7.327 11.054 9.025 1.00 12.21 H new ATOM 0 HA CYS A 37 9.267 9.569 10.659 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.722 8.985 9.708 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.749 8.187 8.534 1.00 61.20 H new ATOM 0 HG CYS A 37 6.810 6.595 10.907 1.00 11.22 H new ATOM 566 N GLY A 38 11.052 9.461 8.976 1.00 73.01 N ATOM 567 CA GLY A 38 12.115 9.349 7.996 1.00 54.25 C ATOM 568 C GLY A 38 12.022 8.064 7.197 1.00 23.12 C ATOM 569 O GLY A 38 12.477 8.000 6.055 1.00 65.32 O ATOM 0 H GLY A 38 11.360 9.442 9.948 1.00 73.01 H new ATOM 0 HA2 GLY A 38 12.073 10.201 7.317 1.00 54.25 H new ATOM 0 HA3 GLY A 38 13.080 9.392 8.502 1.00 54.25 H new ATOM 573 N HIS A 39 11.427 7.038 7.799 1.00 2.33 N ATOM 574 CA HIS A 39 11.270 5.748 7.139 1.00 41.12 C ATOM 575 C HIS A 39 10.371 5.874 5.914 1.00 11.52 C ATOM 576 O HIS A 39 10.728 5.434 4.822 1.00 25.14 O ATOM 577 CB HIS A 39 10.688 4.721 8.111 1.00 52.33 C ATOM 578 CG HIS A 39 11.717 4.071 8.982 1.00 24.32 C ATOM 579 ND1 HIS A 39 12.088 2.749 8.851 1.00 54.12 N ATOM 580 CD2 HIS A 39 12.458 4.567 10.002 1.00 21.12 C ATOM 581 CE1 HIS A 39 13.010 2.461 9.752 1.00 22.32 C ATOM 582 NE2 HIS A 39 13.253 3.547 10.462 1.00 30.33 N ATOM 0 H HIS A 39 11.046 7.076 8.744 1.00 2.33 H new ATOM 0 HA HIS A 39 12.254 5.410 6.814 1.00 41.12 H new ATOM 0 HB2 HIS A 39 9.946 5.210 8.742 1.00 52.33 H new ATOM 0 HB3 HIS A 39 10.166 3.951 7.543 1.00 52.33 H new ATOM 0 HD2 HIS A 39 12.429 5.577 10.382 1.00 21.12 H new ATOM 0 HE1 HIS A 39 13.485 1.500 9.885 1.00 22.32 H new ATOM 0 HE2 HIS A 39 13.923 3.617 11.228 1.00 30.33 H new ATOM 591 N CYS A 40 9.203 6.481 6.103 1.00 60.23 N ATOM 592 CA CYS A 40 8.254 6.668 5.011 1.00 12.10 C ATOM 593 C CYS A 40 8.890 7.458 3.877 1.00 73.23 C ATOM 594 O CYS A 40 8.638 7.195 2.701 1.00 34.22 O ATOM 595 CB CYS A 40 7.001 7.386 5.511 1.00 63.34 C ATOM 596 SG CYS A 40 5.704 7.561 4.264 1.00 13.53 S ATOM 0 H CYS A 40 8.892 6.851 7.001 1.00 60.23 H new ATOM 0 HA CYS A 40 7.970 5.685 4.634 1.00 12.10 H new ATOM 0 HB2 CYS A 40 6.599 6.840 6.364 1.00 63.34 H new ATOM 0 HB3 CYS A 40 7.281 8.376 5.870 1.00 63.34 H new ATOM 0 HG CYS A 40 4.599 7.935 4.837 1.00 13.53 H new ATOM 602 N LYS A 41 9.724 8.421 4.243 1.00 21.23 N ATOM 603 CA LYS A 41 10.414 9.253 3.261 1.00 10.33 C ATOM 604 C LYS A 41 11.169 8.391 2.248 1.00 54.14 C ATOM 605 O LYS A 41 11.424 8.818 1.122 1.00 74.52 O ATOM 606 CB LYS A 41 11.386 10.205 3.960 1.00 51.31 C ATOM 607 CG LYS A 41 10.728 11.081 5.014 1.00 32.41 C ATOM 608 CD LYS A 41 10.213 12.383 4.418 1.00 32.30 C ATOM 609 CE LYS A 41 8.716 12.539 4.629 1.00 55.12 C ATOM 610 NZ LYS A 41 8.269 13.945 4.424 1.00 20.54 N ATOM 0 H LYS A 41 9.941 8.648 5.214 1.00 21.23 H new ATOM 0 HA LYS A 41 9.664 9.837 2.727 1.00 10.33 H new ATOM 0 HB2 LYS A 41 12.179 9.622 4.428 1.00 51.31 H new ATOM 0 HB3 LYS A 41 11.858 10.843 3.212 1.00 51.31 H new ATOM 0 HG2 LYS A 41 9.902 10.539 5.474 1.00 32.41 H new ATOM 0 HG3 LYS A 41 11.445 11.301 5.805 1.00 32.41 H new ATOM 0 HD2 LYS A 41 10.735 13.224 4.873 1.00 32.30 H new ATOM 0 HD3 LYS A 41 10.436 12.409 3.351 1.00 32.30 H new ATOM 0 HE2 LYS A 41 8.182 11.884 3.940 1.00 55.12 H new ATOM 0 HE3 LYS A 41 8.456 12.219 5.638 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 7.242 14.009 4.577 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 8.759 14.567 5.098 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 8.493 14.242 3.453 1.00 20.54 H new ATOM 624 N ALA A 42 11.521 7.175 2.659 1.00 53.53 N ATOM 625 CA ALA A 42 12.245 6.247 1.795 1.00 63.24 C ATOM 626 C ALA A 42 11.285 5.384 0.984 1.00 22.20 C ATOM 627 O ALA A 42 11.649 4.841 -0.059 1.00 35.20 O ATOM 628 CB ALA A 42 13.150 5.364 2.629 1.00 71.23 C ATOM 0 H ALA A 42 11.315 6.809 3.589 1.00 53.53 H new ATOM 0 HA ALA A 42 12.847 6.832 1.100 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.687 4.674 1.977 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.865 5.984 3.170 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.550 4.798 3.341 1.00 71.23 H new ATOM 634 N LEU A 43 10.060 5.260 1.479 1.00 3.15 N ATOM 635 CA LEU A 43 9.029 4.465 0.817 1.00 50.12 C ATOM 636 C LEU A 43 8.304 5.288 -0.248 1.00 0.15 C ATOM 637 O LEU A 43 7.752 4.751 -1.204 1.00 25.30 O ATOM 638 CB LEU A 43 8.022 3.971 1.852 1.00 20.44 C ATOM 639 CG LEU A 43 8.484 2.780 2.693 1.00 62.22 C ATOM 640 CD1 LEU A 43 9.400 3.244 3.815 1.00 75.32 C ATOM 641 CD2 LEU A 43 7.287 2.031 3.257 1.00 41.04 C ATOM 0 H LEU A 43 9.753 5.704 2.345 1.00 3.15 H new ATOM 0 HA LEU A 43 9.508 3.616 0.330 1.00 50.12 H new ATOM 0 HB2 LEU A 43 7.779 4.796 2.522 1.00 20.44 H new ATOM 0 HB3 LEU A 43 7.101 3.697 1.337 1.00 20.44 H new ATOM 0 HG LEU A 43 9.044 2.100 2.051 1.00 62.22 H new ATOM 0 HD11 LEU A 43 9.719 2.384 4.403 1.00 75.32 H new ATOM 0 HD12 LEU A 43 10.274 3.738 3.390 1.00 75.32 H new ATOM 0 HD13 LEU A 43 8.864 3.944 4.456 1.00 75.32 H new ATOM 0 HD21 LEU A 43 7.634 1.187 3.853 1.00 41.04 H new ATOM 0 HD22 LEU A 43 6.701 2.702 3.885 1.00 41.04 H new ATOM 0 HD23 LEU A 43 6.667 1.667 2.438 1.00 41.04 H new ATOM 653 N ALA A 44 8.309 6.595 -0.058 1.00 71.13 N ATOM 654 CA ALA A 44 7.657 7.527 -0.972 1.00 14.25 C ATOM 655 C ALA A 44 8.090 7.319 -2.418 1.00 34.31 C ATOM 656 O ALA A 44 7.258 7.285 -3.324 1.00 74.45 O ATOM 657 CB ALA A 44 7.971 8.947 -0.557 1.00 30.41 C ATOM 0 H ALA A 44 8.765 7.045 0.735 1.00 71.13 H new ATOM 0 HA ALA A 44 6.585 7.340 -0.917 1.00 14.25 H new ATOM 0 HB1 ALA A 44 7.483 9.642 -1.241 1.00 30.41 H new ATOM 0 HB2 ALA A 44 7.607 9.119 0.456 1.00 30.41 H new ATOM 0 HB3 ALA A 44 9.049 9.105 -0.587 1.00 30.41 H new ATOM 663 N PRO A 45 9.402 7.177 -2.656 1.00 75.14 N ATOM 664 CA PRO A 45 9.932 6.974 -4.000 1.00 70.44 C ATOM 665 C PRO A 45 9.458 5.667 -4.582 1.00 62.41 C ATOM 666 O PRO A 45 9.141 5.569 -5.768 1.00 14.35 O ATOM 667 CB PRO A 45 11.447 6.935 -3.815 1.00 11.31 C ATOM 668 CG PRO A 45 11.712 7.422 -2.431 1.00 74.31 C ATOM 669 CD PRO A 45 10.461 7.189 -1.639 1.00 42.31 C ATOM 0 HA PRO A 45 9.605 7.758 -4.683 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.829 5.923 -3.951 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.945 7.566 -4.551 1.00 11.31 H new ATOM 0 HG2 PRO A 45 12.554 6.889 -1.989 1.00 74.31 H new ATOM 0 HG3 PRO A 45 11.973 8.480 -2.438 1.00 74.31 H new ATOM 0 HD2 PRO A 45 10.502 6.246 -1.093 1.00 42.31 H new ATOM 0 HD3 PRO A 45 10.300 7.977 -0.903 1.00 42.31 H new ATOM 677 N LYS A 46 9.400 4.665 -3.727 1.00 20.24 N ATOM 678 CA LYS A 46 8.944 3.344 -4.146 1.00 25.04 C ATOM 679 C LYS A 46 7.450 3.356 -4.327 1.00 42.02 C ATOM 680 O LYS A 46 6.899 2.633 -5.148 1.00 64.24 O ATOM 681 CB LYS A 46 9.301 2.281 -3.106 1.00 30.13 C ATOM 682 CG LYS A 46 8.299 2.191 -1.956 1.00 4.35 C ATOM 683 CD LYS A 46 8.236 0.801 -1.363 1.00 52.40 C ATOM 684 CE LYS A 46 9.171 0.654 -0.178 1.00 65.44 C ATOM 685 NZ LYS A 46 8.578 -0.198 0.891 1.00 23.32 N ATOM 0 H LYS A 46 9.660 4.734 -2.743 1.00 20.24 H new ATOM 0 HA LYS A 46 9.440 3.102 -5.086 1.00 25.04 H new ATOM 0 HB2 LYS A 46 9.365 1.310 -3.598 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.289 2.499 -2.700 1.00 30.13 H new ATOM 0 HG2 LYS A 46 8.575 2.904 -1.179 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.310 2.477 -2.314 1.00 4.35 H new ATOM 0 HD2 LYS A 46 7.215 0.585 -1.050 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.497 0.068 -2.126 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.113 0.218 -0.510 1.00 65.44 H new ATOM 0 HE3 LYS A 46 9.401 1.639 0.228 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 8.939 0.106 1.818 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 7.542 -0.104 0.875 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 8.838 -1.192 0.727 1.00 23.32 H new ATOM 699 N TYR A 47 6.800 4.159 -3.512 1.00 61.23 N ATOM 700 CA TYR A 47 5.362 4.232 -3.541 1.00 23.14 C ATOM 701 C TYR A 47 4.872 5.084 -4.701 1.00 2.14 C ATOM 702 O TYR A 47 3.780 4.872 -5.218 1.00 1.03 O ATOM 703 CB TYR A 47 4.827 4.746 -2.210 1.00 43.44 C ATOM 704 CG TYR A 47 4.021 3.707 -1.472 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.588 2.491 -1.112 1.00 32.01 C ATOM 706 CD2 TYR A 47 2.693 3.934 -1.151 1.00 74.31 C ATOM 707 CE1 TYR A 47 3.849 1.529 -0.451 1.00 25.32 C ATOM 708 CE2 TYR A 47 1.948 2.980 -0.488 1.00 13.43 C ATOM 709 CZ TYR A 47 2.529 1.778 -0.141 1.00 43.13 C ATOM 710 OH TYR A 47 1.786 0.824 0.516 1.00 24.45 O ATOM 0 H TYR A 47 7.246 4.767 -2.825 1.00 61.23 H new ATOM 0 HA TYR A 47 4.975 3.225 -3.696 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.661 5.065 -1.585 1.00 43.44 H new ATOM 0 HB3 TYR A 47 4.207 5.625 -2.386 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.622 2.295 -1.353 1.00 32.01 H new ATOM 0 HD2 TYR A 47 2.233 4.872 -1.424 1.00 74.31 H new ATOM 0 HE1 TYR A 47 4.303 0.587 -0.179 1.00 25.32 H new ATOM 0 HE2 TYR A 47 0.914 3.174 -0.242 1.00 13.43 H new ATOM 0 HH TYR A 47 0.864 0.841 0.183 1.00 24.45 H new ATOM 720 N GLU A 48 5.689 6.036 -5.123 1.00 24.14 N ATOM 721 CA GLU A 48 5.324 6.892 -6.240 1.00 22.24 C ATOM 722 C GLU A 48 5.698 6.228 -7.558 1.00 54.31 C ATOM 723 O GLU A 48 5.021 6.404 -8.567 1.00 22.41 O ATOM 724 CB GLU A 48 6.015 8.250 -6.129 1.00 13.13 C ATOM 725 CG GLU A 48 5.493 9.108 -4.987 1.00 10.32 C ATOM 726 CD GLU A 48 5.162 10.522 -5.422 1.00 51.13 C ATOM 727 OE1 GLU A 48 4.760 10.705 -6.590 1.00 72.33 O ATOM 728 OE2 GLU A 48 5.306 11.447 -4.594 1.00 52.11 O ATOM 0 H GLU A 48 6.602 6.234 -4.713 1.00 24.14 H new ATOM 0 HA GLU A 48 4.245 7.047 -6.212 1.00 22.24 H new ATOM 0 HB2 GLU A 48 7.085 8.094 -5.995 1.00 13.13 H new ATOM 0 HB3 GLU A 48 5.887 8.791 -7.067 1.00 13.13 H new ATOM 0 HG2 GLU A 48 4.601 8.643 -4.567 1.00 10.32 H new ATOM 0 HG3 GLU A 48 6.239 9.142 -4.193 1.00 10.32 H new ATOM 735 N GLU A 49 6.775 5.451 -7.535 1.00 54.44 N ATOM 736 CA GLU A 49 7.242 4.754 -8.725 1.00 42.11 C ATOM 737 C GLU A 49 6.508 3.434 -8.890 1.00 51.34 C ATOM 738 O GLU A 49 6.096 3.073 -9.990 1.00 33.31 O ATOM 739 CB GLU A 49 8.750 4.507 -8.640 1.00 61.51 C ATOM 740 CG GLU A 49 9.587 5.683 -9.115 1.00 11.24 C ATOM 741 CD GLU A 49 9.697 5.748 -10.626 1.00 61.31 C ATOM 742 OE1 GLU A 49 10.008 4.708 -11.244 1.00 22.31 O ATOM 743 OE2 GLU A 49 9.473 6.838 -11.191 1.00 30.35 O ATOM 0 H GLU A 49 7.342 5.288 -6.703 1.00 54.44 H new ATOM 0 HA GLU A 49 7.036 5.380 -9.593 1.00 42.11 H new ATOM 0 HB2 GLU A 49 9.014 4.277 -7.608 1.00 61.51 H new ATOM 0 HB3 GLU A 49 9.000 3.629 -9.236 1.00 61.51 H new ATOM 0 HG2 GLU A 49 9.147 6.610 -8.746 1.00 11.24 H new ATOM 0 HG3 GLU A 49 10.586 5.611 -8.684 1.00 11.24 H new ATOM 750 N LEU A 50 6.328 2.729 -7.784 1.00 55.33 N ATOM 751 CA LEU A 50 5.626 1.463 -7.796 1.00 62.33 C ATOM 752 C LEU A 50 4.142 1.727 -7.776 1.00 53.01 C ATOM 753 O LEU A 50 3.359 1.082 -8.473 1.00 72.22 O ATOM 754 CB LEU A 50 6.028 0.655 -6.572 1.00 53.34 C ATOM 755 CG LEU A 50 5.812 -0.861 -6.664 1.00 31.31 C ATOM 756 CD1 LEU A 50 4.364 -1.212 -6.361 1.00 73.44 C ATOM 757 CD2 LEU A 50 6.212 -1.390 -8.035 1.00 32.53 C ATOM 0 H LEU A 50 6.662 3.017 -6.864 1.00 55.33 H new ATOM 0 HA LEU A 50 5.881 0.900 -8.694 1.00 62.33 H new ATOM 0 HB2 LEU A 50 7.083 0.840 -6.370 1.00 53.34 H new ATOM 0 HB3 LEU A 50 5.469 1.030 -5.715 1.00 53.34 H new ATOM 0 HG LEU A 50 6.450 -1.337 -5.919 1.00 31.31 H new ATOM 0 HD11 LEU A 50 4.229 -2.291 -6.431 1.00 73.44 H new ATOM 0 HD12 LEU A 50 4.112 -0.879 -5.354 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.712 -0.717 -7.081 1.00 73.44 H new ATOM 0 HD21 LEU A 50 6.048 -2.467 -8.071 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.609 -0.905 -8.802 1.00 32.53 H new ATOM 0 HD23 LEU A 50 7.266 -1.177 -8.214 1.00 32.53 H new ATOM 769 N GLY A 51 3.775 2.707 -6.972 1.00 23.21 N ATOM 770 CA GLY A 51 2.387 3.089 -6.860 1.00 32.42 C ATOM 771 C GLY A 51 1.849 3.600 -8.164 1.00 21.41 C ATOM 772 O GLY A 51 0.745 3.253 -8.575 1.00 20.22 O ATOM 0 H GLY A 51 4.416 3.248 -6.392 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.798 2.232 -6.533 1.00 32.42 H new ATOM 0 HA3 GLY A 51 2.281 3.858 -6.095 1.00 32.42 H new ATOM 776 N ALA A 52 2.647 4.420 -8.816 1.00 74.32 N ATOM 777 CA ALA A 52 2.276 4.981 -10.098 1.00 34.41 C ATOM 778 C ALA A 52 2.166 3.874 -11.129 1.00 53.51 C ATOM 779 O ALA A 52 1.169 3.762 -11.842 1.00 24.53 O ATOM 780 CB ALA A 52 3.303 6.012 -10.516 1.00 21.31 C ATOM 0 H ALA A 52 3.563 4.714 -8.476 1.00 74.32 H new ATOM 0 HA ALA A 52 1.306 5.472 -10.019 1.00 34.41 H new ATOM 0 HB1 ALA A 52 3.023 6.434 -11.481 1.00 21.31 H new ATOM 0 HB2 ALA A 52 3.345 6.807 -9.771 1.00 21.31 H new ATOM 0 HB3 ALA A 52 4.282 5.539 -10.597 1.00 21.31 H new ATOM 786 N LEU A 53 3.189 3.036 -11.185 1.00 5.04 N ATOM 787 CA LEU A 53 3.192 1.922 -12.117 1.00 63.21 C ATOM 788 C LEU A 53 2.029 0.985 -11.818 1.00 15.14 C ATOM 789 O LEU A 53 1.482 0.350 -12.718 1.00 42.51 O ATOM 790 CB LEU A 53 4.516 1.163 -12.043 1.00 31.14 C ATOM 791 CG LEU A 53 5.741 1.971 -12.465 1.00 72.33 C ATOM 792 CD1 LEU A 53 7.007 1.360 -11.885 1.00 21.32 C ATOM 793 CD2 LEU A 53 5.830 2.048 -13.981 1.00 32.33 C ATOM 0 H LEU A 53 4.022 3.106 -10.600 1.00 5.04 H new ATOM 0 HA LEU A 53 3.077 2.315 -13.127 1.00 63.21 H new ATOM 0 HB2 LEU A 53 4.662 0.815 -11.021 1.00 31.14 H new ATOM 0 HB3 LEU A 53 4.447 0.277 -12.675 1.00 31.14 H new ATOM 0 HG LEU A 53 5.639 2.984 -12.075 1.00 72.33 H new ATOM 0 HD11 LEU A 53 7.870 1.948 -12.196 1.00 21.32 H new ATOM 0 HD12 LEU A 53 6.943 1.356 -10.797 1.00 21.32 H new ATOM 0 HD13 LEU A 53 7.116 0.337 -12.246 1.00 21.32 H new ATOM 0 HD21 LEU A 53 6.709 2.627 -14.265 1.00 32.33 H new ATOM 0 HD22 LEU A 53 5.910 1.042 -14.392 1.00 32.33 H new ATOM 0 HD23 LEU A 53 4.935 2.530 -14.374 1.00 32.33 H new ATOM 805 N TYR A 54 1.648 0.915 -10.547 1.00 1.54 N ATOM 806 CA TYR A 54 0.540 0.064 -10.135 1.00 34.11 C ATOM 807 C TYR A 54 -0.796 0.759 -10.378 1.00 70.15 C ATOM 808 O TYR A 54 -1.822 0.104 -10.552 1.00 54.54 O ATOM 809 CB TYR A 54 0.675 -0.313 -8.659 1.00 11.35 C ATOM 810 CG TYR A 54 1.381 -1.631 -8.434 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.660 -1.848 -8.931 1.00 14.11 C ATOM 812 CD2 TYR A 54 0.769 -2.659 -7.728 1.00 13.35 C ATOM 813 CE1 TYR A 54 3.309 -3.052 -8.730 1.00 11.43 C ATOM 814 CE2 TYR A 54 1.412 -3.865 -7.522 1.00 12.41 C ATOM 815 CZ TYR A 54 2.681 -4.056 -8.026 1.00 43.43 C ATOM 816 OH TYR A 54 3.324 -5.256 -7.824 1.00 74.34 O ATOM 0 H TYR A 54 2.088 1.435 -9.788 1.00 1.54 H new ATOM 0 HA TYR A 54 0.571 -0.846 -10.735 1.00 34.11 H new ATOM 0 HB2 TYR A 54 1.220 0.475 -8.140 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.318 -0.361 -8.212 1.00 11.35 H new ATOM 0 HD1 TYR A 54 3.155 -1.063 -9.483 1.00 14.11 H new ATOM 0 HD2 TYR A 54 -0.226 -2.513 -7.334 1.00 13.35 H new ATOM 0 HE1 TYR A 54 4.303 -3.205 -9.123 1.00 11.43 H new ATOM 0 HE2 TYR A 54 0.923 -4.653 -6.969 1.00 12.41 H new ATOM 0 HH TYR A 54 2.874 -5.959 -8.338 1.00 74.34 H new ATOM 826 N ALA A 55 -0.778 2.091 -10.377 1.00 21.21 N ATOM 827 CA ALA A 55 -1.994 2.873 -10.588 1.00 3.44 C ATOM 828 C ALA A 55 -2.015 3.553 -11.961 1.00 5.13 C ATOM 829 O ALA A 55 -2.805 4.470 -12.187 1.00 74.31 O ATOM 830 CB ALA A 55 -2.140 3.913 -9.489 1.00 34.11 C ATOM 0 H ALA A 55 0.063 2.650 -10.233 1.00 21.21 H new ATOM 0 HA ALA A 55 -2.836 2.182 -10.555 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -3.049 4.492 -9.654 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -2.198 3.414 -8.521 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -1.278 4.580 -9.502 1.00 34.11 H new ATOM 836 N LYS A 56 -1.149 3.113 -12.875 1.00 4.24 N ATOM 837 CA LYS A 56 -1.092 3.706 -14.211 1.00 4.42 C ATOM 838 C LYS A 56 -0.741 2.671 -15.282 1.00 44.15 C ATOM 839 O LYS A 56 -1.337 2.661 -16.359 1.00 51.42 O ATOM 840 CB LYS A 56 -0.073 4.849 -14.244 1.00 22.22 C ATOM 841 CG LYS A 56 -0.635 6.147 -14.801 1.00 10.21 C ATOM 842 CD LYS A 56 0.293 7.319 -14.526 1.00 4.24 C ATOM 843 CE LYS A 56 0.488 7.537 -13.034 1.00 65.32 C ATOM 844 NZ LYS A 56 1.126 8.850 -12.742 1.00 32.21 N ATOM 0 H LYS A 56 -0.484 2.356 -12.717 1.00 4.24 H new ATOM 0 HA LYS A 56 -2.085 4.095 -14.434 1.00 4.42 H new ATOM 0 HB2 LYS A 56 0.295 5.026 -13.234 1.00 22.22 H new ATOM 0 HB3 LYS A 56 0.783 4.545 -14.847 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -0.788 6.047 -15.876 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -1.611 6.342 -14.357 1.00 10.21 H new ATOM 0 HD2 LYS A 56 1.259 7.138 -14.998 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -0.117 8.223 -14.976 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -0.477 7.483 -12.530 1.00 65.32 H new ATOM 0 HE3 LYS A 56 1.105 6.736 -12.628 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 1.241 8.959 -11.714 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 2.058 8.893 -13.201 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 0.525 9.617 -13.106 1.00 32.21 H new ATOM 858 N SER A 57 0.233 1.813 -14.990 1.00 21.53 N ATOM 859 CA SER A 57 0.661 0.790 -15.943 1.00 44.53 C ATOM 860 C SER A 57 -0.488 -0.164 -16.282 1.00 60.45 C ATOM 861 O SER A 57 -1.654 0.228 -16.262 1.00 54.40 O ATOM 862 CB SER A 57 1.856 0.013 -15.383 1.00 10.34 C ATOM 863 OG SER A 57 2.785 0.884 -14.762 1.00 42.20 O ATOM 0 H SER A 57 0.740 1.805 -14.105 1.00 21.53 H new ATOM 0 HA SER A 57 0.965 1.288 -16.864 1.00 44.53 H new ATOM 0 HB2 SER A 57 1.507 -0.726 -14.662 1.00 10.34 H new ATOM 0 HB3 SER A 57 2.347 -0.534 -16.188 1.00 10.34 H new ATOM 0 HG SER A 57 3.657 0.441 -14.699 1.00 42.20 H new ATOM 869 N GLU A 58 -0.156 -1.418 -16.596 1.00 55.23 N ATOM 870 CA GLU A 58 -1.165 -2.416 -16.940 1.00 22.24 C ATOM 871 C GLU A 58 -1.828 -3.002 -15.693 1.00 31.15 C ATOM 872 O GLU A 58 -2.454 -4.061 -15.755 1.00 31.23 O ATOM 873 CB GLU A 58 -0.536 -3.538 -17.768 1.00 12.33 C ATOM 874 CG GLU A 58 0.379 -3.038 -18.874 1.00 25.21 C ATOM 875 CD GLU A 58 -0.151 -3.355 -20.259 1.00 5.30 C ATOM 876 OE1 GLU A 58 -1.382 -3.506 -20.403 1.00 25.24 O ATOM 877 OE2 GLU A 58 0.666 -3.451 -21.199 1.00 24.30 O ATOM 0 H GLU A 58 0.803 -1.764 -16.619 1.00 55.23 H new ATOM 0 HA GLU A 58 -1.935 -1.917 -17.528 1.00 22.24 H new ATOM 0 HB2 GLU A 58 0.032 -4.192 -17.106 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -1.329 -4.141 -18.209 1.00 12.33 H new ATOM 0 HG2 GLU A 58 0.506 -1.960 -18.776 1.00 25.21 H new ATOM 0 HG3 GLU A 58 1.365 -3.487 -18.755 1.00 25.21 H new ATOM 884 N PHE A 59 -1.700 -2.308 -14.566 1.00 74.45 N ATOM 885 CA PHE A 59 -2.299 -2.758 -13.316 1.00 21.52 C ATOM 886 C PHE A 59 -2.963 -1.589 -12.595 1.00 53.04 C ATOM 887 O PHE A 59 -3.297 -1.682 -11.414 1.00 13.31 O ATOM 888 CB PHE A 59 -1.247 -3.399 -12.405 1.00 12.03 C ATOM 889 CG PHE A 59 -0.094 -4.019 -13.146 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.989 -3.248 -13.537 1.00 22.34 C ATOM 891 CD2 PHE A 59 -0.096 -5.370 -13.450 1.00 63.25 C ATOM 892 CE1 PHE A 59 2.050 -3.815 -14.218 1.00 44.50 C ATOM 893 CE2 PHE A 59 0.962 -5.943 -14.131 1.00 73.00 C ATOM 894 CZ PHE A 59 2.036 -5.164 -14.515 1.00 33.14 C ATOM 0 H PHE A 59 -1.186 -1.430 -14.494 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.054 -3.507 -13.555 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -0.862 -2.641 -11.722 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.727 -4.164 -11.795 1.00 12.03 H new ATOM 0 HD1 PHE A 59 1.004 -2.193 -13.307 1.00 22.34 H new ATOM 0 HD2 PHE A 59 -0.934 -5.983 -13.152 1.00 63.25 H new ATOM 0 HE1 PHE A 59 2.889 -3.204 -14.517 1.00 44.50 H new ATOM 0 HE2 PHE A 59 0.949 -6.998 -14.362 1.00 73.00 H new ATOM 0 HZ PHE A 59 2.864 -5.609 -15.047 1.00 33.14 H new ATOM 904 N LYS A 60 -3.155 -0.489 -13.320 1.00 35.11 N ATOM 905 CA LYS A 60 -3.781 0.701 -12.764 1.00 12.50 C ATOM 906 C LYS A 60 -5.175 0.387 -12.226 1.00 53.32 C ATOM 907 O LYS A 60 -5.704 1.113 -11.385 1.00 1.45 O ATOM 908 CB LYS A 60 -3.858 1.789 -13.830 1.00 4.42 C ATOM 909 CG LYS A 60 -4.707 1.395 -15.022 1.00 41.52 C ATOM 910 CD LYS A 60 -5.377 2.603 -15.657 1.00 11.45 C ATOM 911 CE LYS A 60 -5.690 2.360 -17.124 1.00 63.33 C ATOM 912 NZ LYS A 60 -7.128 2.039 -17.340 1.00 32.12 N ATOM 0 H LYS A 60 -2.883 -0.401 -14.299 1.00 35.11 H new ATOM 0 HA LYS A 60 -3.172 1.055 -11.932 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -4.266 2.697 -13.385 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -2.851 2.026 -14.172 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -4.084 0.893 -15.762 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -5.467 0.680 -14.707 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -6.298 2.833 -15.121 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -4.727 3.473 -15.562 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -5.425 3.245 -17.703 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -5.075 1.540 -17.495 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -7.300 1.880 -18.353 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -7.376 1.180 -16.808 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -7.714 2.832 -17.010 1.00 32.12 H new ATOM 926 N ASP A 61 -5.755 -0.711 -12.703 1.00 63.52 N ATOM 927 CA ASP A 61 -7.075 -1.138 -12.256 1.00 24.02 C ATOM 928 C ASP A 61 -6.947 -2.407 -11.421 1.00 52.43 C ATOM 929 O ASP A 61 -7.859 -2.784 -10.686 1.00 2.45 O ATOM 930 CB ASP A 61 -7.994 -1.386 -13.454 1.00 61.12 C ATOM 931 CG ASP A 61 -9.422 -1.679 -13.037 1.00 13.52 C ATOM 932 OD1 ASP A 61 -9.701 -2.831 -12.643 1.00 23.44 O ATOM 933 OD2 ASP A 61 -10.261 -0.756 -13.104 1.00 30.32 O ATOM 0 H ASP A 61 -5.329 -1.322 -13.401 1.00 63.52 H new ATOM 0 HA ASP A 61 -7.513 -0.348 -11.646 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -7.981 -0.512 -14.105 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -7.609 -2.223 -14.036 1.00 61.12 H new ATOM 938 N ARG A 62 -5.792 -3.050 -11.545 1.00 74.15 N ATOM 939 CA ARG A 62 -5.491 -4.267 -10.820 1.00 30.21 C ATOM 940 C ARG A 62 -4.948 -3.929 -9.431 1.00 43.41 C ATOM 941 O ARG A 62 -5.361 -2.939 -8.828 1.00 13.43 O ATOM 942 CB ARG A 62 -4.479 -5.087 -11.619 1.00 63.22 C ATOM 943 CG ARG A 62 -4.735 -6.579 -11.565 1.00 63.51 C ATOM 944 CD ARG A 62 -4.949 -7.164 -12.952 1.00 55.34 C ATOM 945 NE ARG A 62 -3.772 -7.008 -13.802 1.00 33.12 N ATOM 946 CZ ARG A 62 -3.758 -7.280 -15.105 1.00 32.42 C ATOM 947 NH1 ARG A 62 -4.854 -7.722 -15.710 1.00 51.31 N ATOM 948 NH2 ARG A 62 -2.645 -7.111 -15.806 1.00 30.32 N ATOM 0 H ARG A 62 -5.038 -2.736 -12.156 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.399 -4.856 -10.691 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.498 -4.760 -12.659 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.478 -4.884 -11.239 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -3.891 -7.076 -11.087 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.612 -6.776 -10.948 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -5.195 -8.222 -12.865 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -5.803 -6.676 -13.423 1.00 55.34 H new ATOM 0 HE ARG A 62 -2.910 -6.671 -13.372 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -5.713 -7.855 -15.176 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -4.837 -7.929 -16.709 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -1.799 -6.773 -15.347 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -2.634 -7.320 -16.804 1.00 30.32 H new ATOM 962 N VAL A 63 -4.020 -4.740 -8.926 1.00 5.03 N ATOM 963 CA VAL A 63 -3.432 -4.498 -7.613 1.00 24.54 C ATOM 964 C VAL A 63 -2.967 -3.050 -7.501 1.00 43.11 C ATOM 965 O VAL A 63 -2.286 -2.536 -8.388 1.00 13.12 O ATOM 966 CB VAL A 63 -2.239 -5.443 -7.357 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.271 -5.403 -8.526 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.526 -5.095 -6.055 1.00 23.12 C ATOM 0 H VAL A 63 -3.661 -5.566 -9.405 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.198 -4.693 -6.863 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.628 -6.457 -7.261 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.435 -6.075 -8.330 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.784 -5.718 -9.434 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -0.897 -4.387 -8.654 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.691 -5.779 -5.904 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.153 -4.072 -6.107 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -2.224 -5.185 -5.223 1.00 23.12 H new ATOM 978 N VAL A 64 -3.355 -2.391 -6.417 1.00 64.12 N ATOM 979 CA VAL A 64 -2.991 -1.000 -6.207 1.00 33.20 C ATOM 980 C VAL A 64 -2.169 -0.813 -4.938 1.00 54.35 C ATOM 981 O VAL A 64 -2.325 -1.553 -3.966 1.00 2.41 O ATOM 982 CB VAL A 64 -4.244 -0.111 -6.121 1.00 61.33 C ATOM 983 CG1 VAL A 64 -3.855 1.355 -6.033 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.159 -0.364 -7.309 1.00 23.14 C ATOM 0 H VAL A 64 -3.921 -2.798 -5.672 1.00 64.12 H new ATOM 0 HA VAL A 64 -2.386 -0.704 -7.064 1.00 33.20 H new ATOM 0 HB VAL A 64 -4.790 -0.368 -5.213 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -4.755 1.967 -5.973 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -3.246 1.517 -5.144 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -3.285 1.634 -6.919 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.040 0.273 -7.232 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -4.627 -0.137 -8.233 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -5.467 -1.410 -7.315 1.00 23.14 H new ATOM 994 N ILE A 65 -1.303 0.196 -4.951 1.00 53.13 N ATOM 995 CA ILE A 65 -0.465 0.505 -3.805 1.00 64.23 C ATOM 996 C ILE A 65 -1.130 1.589 -2.954 1.00 64.25 C ATOM 997 O ILE A 65 -1.200 2.749 -3.356 1.00 74.41 O ATOM 998 CB ILE A 65 0.931 0.972 -4.267 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.568 -0.085 -5.172 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.829 1.267 -3.079 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.649 -1.457 -4.537 1.00 24.43 C ATOM 0 H ILE A 65 -1.165 0.815 -5.750 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.345 -0.397 -3.204 1.00 64.23 H new ATOM 0 HB ILE A 65 0.812 1.895 -4.834 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.993 -0.155 -6.096 1.00 43.52 H new ATOM 0 HG13 ILE A 65 2.572 0.240 -5.445 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.806 1.594 -3.434 1.00 13.14 H new ATOM 0 HG22 ILE A 65 1.382 2.054 -2.471 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.945 0.365 -2.478 1.00 13.14 H new ATOM 0 HD11 ILE A 65 2.111 -2.155 -5.236 1.00 24.43 H new ATOM 0 HD12 ILE A 65 2.249 -1.403 -3.628 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.646 -1.803 -4.289 1.00 24.43 H new ATOM 1013 N ALA A 66 -1.650 1.194 -1.792 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.346 2.135 -0.906 1.00 14.51 C ATOM 1015 C ALA A 66 -1.516 2.526 0.318 1.00 73.12 C ATOM 1016 O ALA A 66 -0.517 1.885 0.649 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.674 1.543 -0.463 1.00 0.23 C ATOM 0 H ALA A 66 -1.605 0.237 -1.442 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.514 3.046 -1.480 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.185 2.247 0.194 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.295 1.347 -1.337 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.496 0.610 0.072 1.00 0.23 H new ATOM 1023 N LYS A 67 -1.952 3.584 1.002 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.262 4.057 2.194 1.00 52.23 C ATOM 1025 C LYS A 67 -2.202 4.849 3.092 1.00 31.31 C ATOM 1026 O LYS A 67 -3.105 5.536 2.615 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.052 4.918 1.818 1.00 44.25 C ATOM 1028 CG LYS A 67 -0.415 6.240 1.160 1.00 70.43 C ATOM 1029 CD LYS A 67 0.688 7.275 1.342 1.00 21.32 C ATOM 1030 CE LYS A 67 1.185 7.811 0.007 1.00 75.00 C ATOM 1031 NZ LYS A 67 2.669 7.752 -0.097 1.00 23.24 N ATOM 0 H LYS A 67 -2.778 4.126 0.749 1.00 1.20 H new ATOM 0 HA LYS A 67 -0.914 3.181 2.742 1.00 52.23 H new ATOM 0 HB2 LYS A 67 0.531 5.119 2.717 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.589 4.351 1.142 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -0.595 6.081 0.097 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.344 6.618 1.587 1.00 70.43 H new ATOM 0 HD2 LYS A 67 0.316 8.100 1.949 1.00 21.32 H new ATOM 0 HD3 LYS A 67 1.520 6.828 1.887 1.00 21.32 H new ATOM 0 HE2 LYS A 67 0.741 7.234 -0.804 1.00 75.00 H new ATOM 0 HE3 LYS A 67 0.853 8.842 -0.117 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 2.967 8.126 -1.020 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 3.093 8.323 0.661 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 2.985 6.765 -0.005 1.00 23.24 H new ATOM 1045 N VAL A 68 -1.977 4.748 4.394 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.795 5.452 5.368 1.00 72.45 C ATOM 1047 C VAL A 68 -1.923 6.120 6.420 1.00 32.14 C ATOM 1048 O VAL A 68 -0.882 5.587 6.807 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.783 4.499 6.067 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -3.032 3.438 6.858 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.731 5.275 6.969 1.00 51.14 C ATOM 0 H VAL A 68 -1.232 4.183 4.800 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.360 6.210 4.825 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.377 3.998 5.302 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.746 2.774 7.345 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.401 2.860 6.183 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.411 3.919 7.613 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.420 4.583 7.453 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.157 5.807 7.728 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.295 5.992 6.373 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.354 7.281 6.888 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.611 8.007 7.903 1.00 43.22 C ATOM 1063 C ASP A 69 -1.783 7.338 9.261 1.00 5.23 C ATOM 1064 O ASP A 69 -2.833 7.443 9.892 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.075 9.459 7.962 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.914 10.432 8.022 1.00 4.11 C ATOM 1067 OD1 ASP A 69 0.053 10.158 8.765 1.00 53.31 O ATOM 1068 OD2 ASP A 69 -0.970 11.467 7.326 1.00 42.00 O ATOM 0 H ASP A 69 -3.212 7.739 6.581 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.553 7.992 7.640 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.686 9.679 7.086 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.710 9.600 8.837 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.746 6.636 9.695 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.770 5.926 10.968 1.00 24.21 C ATOM 1075 C ALA A 70 -0.865 6.879 12.158 1.00 22.35 C ATOM 1076 O ALA A 70 -1.039 6.441 13.296 1.00 53.45 O ATOM 1077 CB ALA A 70 0.468 5.052 11.090 1.00 61.12 C ATOM 0 H ALA A 70 0.130 6.542 9.180 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.664 5.303 10.984 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.447 4.523 12.043 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.485 4.330 10.274 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.360 5.676 11.041 1.00 61.12 H new ATOM 1083 N THR A 71 -0.740 8.176 11.900 1.00 42.24 N ATOM 1084 CA THR A 71 -0.803 9.170 12.967 1.00 3.43 C ATOM 1085 C THR A 71 -1.948 10.159 12.755 1.00 33.43 C ATOM 1086 O THR A 71 -2.441 10.758 13.710 1.00 51.01 O ATOM 1087 CB THR A 71 0.522 9.925 13.058 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.402 11.049 13.913 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.023 10.417 11.718 1.00 30.12 C ATOM 0 H THR A 71 -0.595 8.563 10.967 1.00 42.24 H new ATOM 0 HA THR A 71 -0.989 8.639 13.901 1.00 3.43 H new ATOM 0 HB THR A 71 1.239 9.205 13.453 1.00 25.35 H new ATOM 0 HG1 THR A 71 1.261 11.518 13.959 1.00 70.43 H new ATOM 0 HG21 THR A 71 1.967 10.944 11.854 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.174 9.568 11.052 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.289 11.094 11.281 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.362 10.336 11.505 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.442 11.267 11.190 1.00 75.21 C ATOM 1099 C ALA A 72 -4.817 10.641 11.415 1.00 45.34 C ATOM 1100 O ALA A 72 -5.818 11.351 11.515 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.314 11.763 9.758 1.00 51.24 C ATOM 0 H ALA A 72 -1.970 9.851 10.698 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.352 12.114 11.870 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -4.126 12.456 9.539 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.359 12.273 9.634 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.365 10.916 9.074 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.867 9.314 11.494 1.00 1.30 N ATOM 1108 CA ASN A 73 -6.131 8.615 11.706 1.00 2.25 C ATOM 1109 C ASN A 73 -5.991 7.526 12.760 1.00 71.03 C ATOM 1110 O ASN A 73 -5.027 6.761 12.757 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.633 7.991 10.402 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.521 7.355 9.596 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -5.143 6.207 9.833 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -4.988 8.101 8.638 1.00 11.11 N ATOM 0 H ASN A 73 -4.053 8.705 11.415 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.853 9.353 12.055 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -7.388 7.238 10.630 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.120 8.758 9.800 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -4.233 7.728 8.062 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -5.333 9.047 8.477 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.976 7.446 13.646 1.00 10.14 N ATOM 1122 CA ASP A 74 -6.981 6.432 14.688 1.00 32.42 C ATOM 1123 C ASP A 74 -7.479 5.114 14.111 1.00 31.33 C ATOM 1124 O ASP A 74 -8.684 4.870 14.046 1.00 44.21 O ATOM 1125 CB ASP A 74 -7.868 6.866 15.856 1.00 3.14 C ATOM 1126 CG ASP A 74 -7.425 8.184 16.461 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -7.190 9.140 15.693 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -7.313 8.259 17.703 1.00 5.34 O ATOM 0 H ASP A 74 -7.781 8.072 13.662 1.00 10.14 H new ATOM 0 HA ASP A 74 -5.965 6.302 15.061 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.898 6.956 15.512 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -7.855 6.094 16.625 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.547 4.272 13.682 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.896 2.986 13.096 1.00 63.22 C ATOM 1135 C VAL A 75 -7.067 1.916 14.173 1.00 35.25 C ATOM 1136 O VAL A 75 -6.437 1.979 15.229 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.830 2.535 12.074 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.586 3.628 11.037 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.532 2.159 12.776 1.00 12.01 C ATOM 0 H VAL A 75 -5.545 4.457 13.729 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.847 3.113 12.578 1.00 63.22 H new ATOM 0 HB VAL A 75 -6.204 1.650 11.559 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.832 3.292 10.325 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -6.515 3.842 10.508 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -5.237 4.532 11.536 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.796 1.845 12.036 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.151 3.021 13.323 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.719 1.341 13.472 1.00 12.01 H new ATOM 1149 N PRO A 76 -7.933 0.919 13.921 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.193 -0.164 14.876 1.00 75.42 C ATOM 1151 C PRO A 76 -7.015 -1.125 15.009 1.00 43.21 C ATOM 1152 O PRO A 76 -6.777 -1.683 16.080 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.402 -0.883 14.276 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.322 -0.604 12.815 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.730 0.773 12.688 1.00 24.22 C ATOM 0 HA PRO A 76 -8.360 0.217 15.883 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.366 -1.954 14.477 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.335 -0.510 14.700 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.701 -1.344 12.310 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.309 -0.648 12.355 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -8.110 0.863 11.796 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.503 1.538 12.617 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.284 -1.316 13.916 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.134 -2.213 13.917 1.00 21.44 C ATOM 1165 C ASP A 77 -3.979 -1.623 14.717 1.00 3.52 C ATOM 1166 O ASP A 77 -3.514 -0.520 14.432 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.679 -2.497 12.485 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.380 -3.697 11.881 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -6.473 -3.518 11.304 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -4.837 -4.817 11.985 1.00 31.34 O ATOM 0 H ASP A 77 -6.467 -0.863 13.020 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.439 -3.147 14.389 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -4.869 -1.620 11.866 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.602 -2.667 12.476 1.00 64.14 H new ATOM 1175 N GLU A 78 -3.515 -2.369 15.714 1.00 40.33 N ATOM 1176 CA GLU A 78 -2.407 -1.920 16.547 1.00 13.24 C ATOM 1177 C GLU A 78 -1.083 -2.118 15.819 1.00 64.14 C ATOM 1178 O GLU A 78 -0.953 -3.013 14.983 1.00 14.04 O ATOM 1179 CB GLU A 78 -2.397 -2.678 17.877 1.00 53.01 C ATOM 1180 CG GLU A 78 -2.030 -4.147 17.741 1.00 32.34 C ATOM 1181 CD GLU A 78 -3.146 -5.072 18.188 1.00 33.04 C ATOM 1182 OE1 GLU A 78 -3.365 -5.190 19.412 1.00 0.15 O ATOM 1183 OE2 GLU A 78 -3.800 -5.679 17.314 1.00 73.45 O ATOM 0 H GLU A 78 -3.888 -3.285 15.964 1.00 40.33 H new ATOM 0 HA GLU A 78 -2.538 -0.858 16.753 1.00 13.24 H new ATOM 0 HB2 GLU A 78 -1.690 -2.197 18.554 1.00 53.01 H new ATOM 0 HB3 GLU A 78 -3.382 -2.600 18.337 1.00 53.01 H new ATOM 0 HG2 GLU A 78 -1.781 -4.360 16.702 1.00 32.34 H new ATOM 0 HG3 GLU A 78 -1.136 -4.350 18.331 1.00 32.34 H new ATOM 1190 N ILE A 79 -0.105 -1.278 16.132 1.00 70.21 N ATOM 1191 CA ILE A 79 1.201 -1.367 15.496 1.00 52.53 C ATOM 1192 C ILE A 79 2.326 -1.120 16.498 1.00 55.14 C ATOM 1193 O ILE A 79 2.562 0.014 16.913 1.00 31.05 O ATOM 1194 CB ILE A 79 1.325 -0.356 14.340 1.00 0.21 C ATOM 1195 CG1 ILE A 79 0.137 -0.491 13.386 1.00 50.33 C ATOM 1196 CG2 ILE A 79 2.639 -0.552 13.595 1.00 72.34 C ATOM 1197 CD1 ILE A 79 0.055 0.618 12.361 1.00 75.14 C ATOM 0 H ILE A 79 -0.192 -0.530 16.820 1.00 70.21 H new ATOM 0 HA ILE A 79 1.293 -2.379 15.101 1.00 52.53 H new ATOM 0 HB ILE A 79 1.319 0.651 14.758 1.00 0.21 H new ATOM 0 HG12 ILE A 79 0.204 -1.448 12.869 1.00 50.33 H new ATOM 0 HG13 ILE A 79 -0.785 -0.506 13.967 1.00 50.33 H new ATOM 0 HG21 ILE A 79 2.708 0.171 12.782 1.00 72.34 H new ATOM 0 HG22 ILE A 79 3.472 -0.406 14.282 1.00 72.34 H new ATOM 0 HG23 ILE A 79 2.678 -1.562 13.186 1.00 72.34 H new ATOM 0 HD11 ILE A 79 -0.811 0.457 11.719 1.00 75.14 H new ATOM 0 HD12 ILE A 79 -0.044 1.577 12.870 1.00 75.14 H new ATOM 0 HD13 ILE A 79 0.961 0.620 11.754 1.00 75.14 H new ATOM 1209 N GLN A 80 3.020 -2.188 16.877 1.00 41.44 N ATOM 1210 CA GLN A 80 4.126 -2.084 17.825 1.00 15.22 C ATOM 1211 C GLN A 80 5.343 -1.427 17.175 1.00 54.51 C ATOM 1212 O GLN A 80 6.247 -0.955 17.864 1.00 11.35 O ATOM 1213 CB GLN A 80 4.502 -3.469 18.353 1.00 42.40 C ATOM 1214 CG GLN A 80 5.014 -4.412 17.277 1.00 35.35 C ATOM 1215 CD GLN A 80 3.919 -5.289 16.702 1.00 32.31 C ATOM 1216 OE1 GLN A 80 3.411 -6.188 17.372 1.00 3.14 O ATOM 1217 NE2 GLN A 80 3.550 -5.032 15.452 1.00 40.34 N ATOM 0 H GLN A 80 2.837 -3.134 16.544 1.00 41.44 H new ATOM 0 HA GLN A 80 3.801 -1.460 18.657 1.00 15.22 H new ATOM 0 HB2 GLN A 80 5.266 -3.360 19.123 1.00 42.40 H new ATOM 0 HB3 GLN A 80 3.630 -3.916 18.831 1.00 42.40 H new ATOM 0 HG2 GLN A 80 5.467 -3.830 16.475 1.00 35.35 H new ATOM 0 HG3 GLN A 80 5.798 -5.043 17.695 1.00 35.35 H new ATOM 0 HE21 GLN A 80 3.998 -4.277 14.933 1.00 40.34 H new ATOM 0 HE22 GLN A 80 2.819 -5.590 15.011 1.00 40.34 H new ATOM 1226 N GLY A 81 5.356 -1.400 15.845 1.00 13.45 N ATOM 1227 CA GLY A 81 6.456 -0.802 15.121 1.00 71.42 C ATOM 1228 C GLY A 81 5.971 0.164 14.063 1.00 63.33 C ATOM 1229 O GLY A 81 5.316 -0.233 13.100 1.00 62.44 O ATOM 0 H GLY A 81 4.618 -1.785 15.256 1.00 13.45 H new ATOM 0 HA2 GLY A 81 7.109 -0.279 15.819 1.00 71.42 H new ATOM 0 HA3 GLY A 81 7.052 -1.585 14.653 1.00 71.42 H new ATOM 1233 N PHE A 82 6.286 1.436 14.249 1.00 73.35 N ATOM 1234 CA PHE A 82 5.871 2.473 13.312 1.00 65.21 C ATOM 1235 C PHE A 82 7.047 2.952 12.463 1.00 11.44 C ATOM 1236 O PHE A 82 8.123 3.244 12.986 1.00 70.03 O ATOM 1237 CB PHE A 82 5.281 3.666 14.067 1.00 51.04 C ATOM 1238 CG PHE A 82 3.835 3.501 14.435 1.00 4.54 C ATOM 1239 CD1 PHE A 82 3.476 2.818 15.586 1.00 44.34 C ATOM 1240 CD2 PHE A 82 2.836 4.033 13.634 1.00 65.22 C ATOM 1241 CE1 PHE A 82 2.147 2.667 15.933 1.00 51.10 C ATOM 1242 CE2 PHE A 82 1.505 3.885 13.978 1.00 30.43 C ATOM 1243 CZ PHE A 82 1.161 3.201 15.128 1.00 53.15 C ATOM 0 H PHE A 82 6.829 1.778 15.042 1.00 73.35 H new ATOM 0 HA PHE A 82 5.115 2.041 12.656 1.00 65.21 H new ATOM 0 HB2 PHE A 82 5.860 3.830 14.976 1.00 51.04 H new ATOM 0 HB3 PHE A 82 5.389 4.561 13.454 1.00 51.04 H new ATOM 0 HD1 PHE A 82 4.244 2.399 16.219 1.00 44.34 H new ATOM 0 HD2 PHE A 82 3.100 4.568 12.733 1.00 65.22 H new ATOM 0 HE1 PHE A 82 1.880 2.132 16.832 1.00 51.10 H new ATOM 0 HE2 PHE A 82 0.734 4.304 13.348 1.00 30.43 H new ATOM 0 HZ PHE A 82 0.122 3.084 15.397 1.00 53.15 H new ATOM 1253 N PRO A 83 6.857 3.040 11.134 1.00 3.04 N ATOM 1254 CA PRO A 83 5.598 2.704 10.471 1.00 54.24 C ATOM 1255 C PRO A 83 5.438 1.206 10.255 1.00 11.33 C ATOM 1256 O PRO A 83 6.146 0.400 10.858 1.00 42.02 O ATOM 1257 CB PRO A 83 5.690 3.419 9.118 1.00 3.23 C ATOM 1258 CG PRO A 83 7.002 4.144 9.118 1.00 1.32 C ATOM 1259 CD PRO A 83 7.855 3.480 10.162 1.00 54.44 C ATOM 0 HA PRO A 83 4.740 3.007 11.071 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.640 2.705 8.296 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.861 4.114 8.988 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.476 4.090 8.138 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.862 5.201 9.346 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.423 2.644 9.754 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.575 4.171 10.601 1.00 54.44 H new ATOM 1267 N THR A 84 4.507 0.843 9.381 1.00 2.41 N ATOM 1268 CA THR A 84 4.259 -0.563 9.073 1.00 41.24 C ATOM 1269 C THR A 84 3.580 -0.716 7.724 1.00 32.43 C ATOM 1270 O THR A 84 2.993 0.221 7.198 1.00 60.21 O ATOM 1271 CB THR A 84 3.388 -1.216 10.158 1.00 10.10 C ATOM 1272 OG1 THR A 84 4.161 -1.518 11.306 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.712 -2.507 9.707 1.00 53.53 C ATOM 0 H THR A 84 3.913 1.499 8.874 1.00 2.41 H new ATOM 0 HA THR A 84 5.227 -1.064 9.041 1.00 41.24 H new ATOM 0 HB THR A 84 2.614 -0.482 10.379 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.792 -0.788 11.476 1.00 22.31 H new ATOM 0 HG21 THR A 84 2.115 -2.910 10.525 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.066 -2.301 8.854 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.471 -3.234 9.420 1.00 53.53 H new ATOM 1281 N ILE A 85 3.646 -1.922 7.190 1.00 60.42 N ATOM 1282 CA ILE A 85 3.020 -2.236 5.926 1.00 22.33 C ATOM 1283 C ILE A 85 1.997 -3.347 6.137 1.00 73.34 C ATOM 1284 O ILE A 85 2.023 -4.040 7.151 1.00 71.15 O ATOM 1285 CB ILE A 85 4.068 -2.646 4.865 1.00 41.20 C ATOM 1286 CG1 ILE A 85 4.871 -1.413 4.433 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.407 -3.314 3.661 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.618 -1.586 3.127 1.00 54.43 C ATOM 0 H ILE A 85 4.134 -2.707 7.621 1.00 60.42 H new ATOM 0 HA ILE A 85 2.515 -1.346 5.551 1.00 22.33 H new ATOM 0 HB ILE A 85 4.746 -3.376 5.308 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.192 -0.565 4.341 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.586 -1.165 5.218 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.170 -3.590 2.934 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.876 -4.208 3.987 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.702 -2.621 3.202 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.160 -0.669 2.894 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.324 -2.412 3.218 1.00 54.43 H new ATOM 0 HD13 ILE A 85 4.909 -1.802 2.328 1.00 54.43 H new ATOM 1300 N LYS A 86 1.092 -3.493 5.191 1.00 3.11 N ATOM 1301 CA LYS A 86 0.046 -4.506 5.270 1.00 60.53 C ATOM 1302 C LYS A 86 -0.584 -4.730 3.900 1.00 52.11 C ATOM 1303 O LYS A 86 -1.139 -3.808 3.307 1.00 22.13 O ATOM 1304 CB LYS A 86 -1.022 -4.083 6.280 1.00 33.22 C ATOM 1305 CG LYS A 86 -1.438 -5.195 7.228 1.00 12.03 C ATOM 1306 CD LYS A 86 -1.945 -4.640 8.548 1.00 13.41 C ATOM 1307 CE LYS A 86 -1.621 -5.571 9.705 1.00 71.15 C ATOM 1308 NZ LYS A 86 -2.721 -5.618 10.707 1.00 24.02 N ATOM 0 H LYS A 86 1.056 -2.919 4.348 1.00 3.11 H new ATOM 0 HA LYS A 86 0.494 -5.443 5.602 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -0.646 -3.242 6.863 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.901 -3.730 5.740 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -2.217 -5.799 6.763 1.00 12.03 H new ATOM 0 HG3 LYS A 86 -0.590 -5.855 7.411 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -1.497 -3.663 8.729 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -3.023 -4.490 8.491 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -1.436 -6.575 9.322 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -0.702 -5.241 10.190 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -2.328 -5.839 11.644 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -3.199 -4.695 10.741 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -3.406 -6.353 10.437 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.480 -5.953 3.393 1.00 25.44 N ATOM 1323 CA LEU A 87 -1.024 -6.284 2.080 1.00 13.34 C ATOM 1324 C LEU A 87 -2.354 -7.021 2.189 1.00 25.24 C ATOM 1325 O LEU A 87 -2.393 -8.197 2.550 1.00 31.53 O ATOM 1326 CB LEU A 87 -0.021 -7.152 1.324 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.334 -7.433 -0.158 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.355 -8.548 -0.282 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.836 -6.178 -0.854 1.00 30.13 C ATOM 0 H LEU A 87 -0.025 -6.731 3.870 1.00 25.44 H new ATOM 0 HA LEU A 87 -1.202 -5.352 1.543 1.00 13.34 H new ATOM 0 HB2 LEU A 87 0.956 -6.672 1.381 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.062 -8.107 1.842 1.00 63.02 H new ATOM 0 HG LEU A 87 0.589 -7.748 -0.645 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.565 -8.734 -1.335 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.960 -9.455 0.175 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -2.275 -8.257 0.225 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -1.050 -6.402 -1.899 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.745 -5.829 -0.364 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.073 -5.401 -0.798 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.440 -6.334 1.849 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.763 -6.943 1.884 1.00 20.25 C ATOM 1343 C TYR A 88 -5.139 -7.433 0.490 1.00 64.41 C ATOM 1344 O TYR A 88 -5.714 -6.687 -0.303 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.816 -5.951 2.377 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.744 -5.651 3.857 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.580 -5.152 4.428 1.00 30.13 C ATOM 1348 CD2 TYR A 88 -6.842 -5.860 4.682 1.00 73.15 C ATOM 1349 CE1 TYR A 88 -4.513 -4.872 5.779 1.00 35.44 C ATOM 1350 CE2 TYR A 88 -6.782 -5.581 6.034 1.00 54.40 C ATOM 1351 CZ TYR A 88 -5.615 -5.087 6.577 1.00 1.22 C ATOM 1352 OH TYR A 88 -5.549 -4.811 7.923 1.00 3.10 O ATOM 0 H TYR A 88 -3.430 -5.360 1.548 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.732 -7.783 2.578 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.707 -5.018 1.823 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.806 -6.345 2.146 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.714 -4.980 3.806 1.00 30.13 H new ATOM 0 HD2 TYR A 88 -7.758 -6.247 4.260 1.00 73.15 H new ATOM 0 HE1 TYR A 88 -3.600 -4.486 6.208 1.00 35.44 H new ATOM 0 HE2 TYR A 88 -7.645 -5.749 6.662 1.00 54.40 H new ATOM 0 HH TYR A 88 -5.879 -5.581 8.431 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.817 -8.695 0.166 1.00 54.33 N ATOM 1363 CA PRO A 89 -5.119 -9.277 -1.139 1.00 44.12 C ATOM 1364 C PRO A 89 -6.585 -9.173 -1.482 1.00 5.24 C ATOM 1365 O PRO A 89 -7.398 -8.720 -0.676 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.749 -10.757 -0.980 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.605 -10.968 0.485 1.00 52.43 C ATOM 1368 CD PRO A 89 -4.139 -9.660 1.035 1.00 64.41 C ATOM 0 HA PRO A 89 -4.579 -8.763 -1.934 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.522 -11.403 -1.397 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.822 -10.990 -1.504 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.553 -11.266 0.933 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.888 -11.761 0.698 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.422 -9.535 2.080 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -3.055 -9.561 0.984 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.924 -9.641 -2.667 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.304 -9.646 -3.094 1.00 75.24 C ATOM 1378 C ALA A 90 -8.899 -11.007 -2.802 1.00 45.22 C ATOM 1379 O ALA A 90 -9.441 -11.677 -3.681 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.422 -9.298 -4.570 1.00 33.05 C ATOM 0 H ALA A 90 -6.265 -10.020 -3.346 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.857 -8.885 -2.544 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.472 -9.309 -4.864 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -8.007 -8.305 -4.744 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.872 -10.030 -5.161 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.777 -11.404 -1.543 1.00 72.10 N ATOM 1387 CA GLY A 91 -9.288 -12.687 -1.108 1.00 72.44 C ATOM 1388 C GLY A 91 -8.773 -13.077 0.264 1.00 51.35 C ATOM 1389 O GLY A 91 -9.355 -13.934 0.929 1.00 44.12 O ATOM 0 H GLY A 91 -8.329 -10.854 -0.810 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.377 -12.654 -1.089 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -9.005 -13.452 -1.831 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.682 -12.444 0.695 1.00 43.32 N ATOM 1394 CA ALA A 92 -7.104 -12.736 2.002 1.00 72.41 C ATOM 1395 C ALA A 92 -6.948 -11.457 2.819 1.00 74.42 C ATOM 1396 O ALA A 92 -5.926 -11.238 3.469 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.766 -13.447 1.846 1.00 31.53 C ATOM 0 H ALA A 92 -7.185 -11.731 0.161 1.00 43.32 H new ATOM 0 HA ALA A 92 -7.782 -13.399 2.539 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -5.349 -13.657 2.831 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.912 -14.383 1.306 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -5.078 -12.810 1.289 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.979 -10.620 2.779 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.983 -9.358 3.511 1.00 62.03 C ATOM 1405 C LYS A 93 -8.147 -9.591 5.017 1.00 52.40 C ATOM 1406 O LYS A 93 -8.175 -8.641 5.799 1.00 73.44 O ATOM 1407 CB LYS A 93 -9.119 -8.470 3.003 1.00 51.10 C ATOM 1408 CG LYS A 93 -9.213 -8.398 1.487 1.00 74.33 C ATOM 1409 CD LYS A 93 -10.653 -8.236 1.026 1.00 31.12 C ATOM 1410 CE LYS A 93 -11.482 -9.475 1.329 1.00 50.44 C ATOM 1411 NZ LYS A 93 -10.897 -10.702 0.722 1.00 73.13 N ATOM 0 H LYS A 93 -8.829 -10.795 2.243 1.00 63.44 H new ATOM 0 HA LYS A 93 -7.025 -8.865 3.343 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -10.064 -8.843 3.399 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -8.984 -7.463 3.397 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -8.617 -7.561 1.124 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -8.790 -9.303 1.052 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -11.098 -7.371 1.518 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.672 -8.038 -0.046 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -11.557 -9.605 2.409 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -12.496 -9.333 0.954 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -11.638 -11.223 0.211 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -10.141 -10.435 0.059 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -10.503 -11.306 1.471 1.00 73.13 H new ATOM 1425 N GLY A 94 -8.258 -10.859 5.416 1.00 31.24 N ATOM 1426 CA GLY A 94 -8.419 -11.190 6.819 1.00 21.30 C ATOM 1427 C GLY A 94 -7.097 -11.483 7.495 1.00 43.25 C ATOM 1428 O GLY A 94 -6.980 -11.378 8.716 1.00 34.03 O ATOM 0 H GLY A 94 -8.239 -11.662 4.788 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.911 -10.363 7.331 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -9.073 -12.057 6.913 1.00 21.30 H new ATOM 1432 N GLN A 95 -6.090 -11.828 6.698 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.767 -12.106 7.227 1.00 32.12 C ATOM 1434 C GLN A 95 -3.710 -11.417 6.374 1.00 35.41 C ATOM 1435 O GLN A 95 -2.760 -12.045 5.904 1.00 1.14 O ATOM 1436 CB GLN A 95 -4.501 -13.608 7.280 1.00 22.32 C ATOM 1437 CG GLN A 95 -3.122 -13.941 7.818 1.00 60.44 C ATOM 1438 CD GLN A 95 -3.146 -15.047 8.854 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -4.182 -15.668 9.093 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -2.000 -15.300 9.477 1.00 12.52 N ATOM 0 H GLN A 95 -6.169 -11.921 5.685 1.00 30.14 H new ATOM 0 HA GLN A 95 -4.718 -11.717 8.244 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -5.255 -14.084 7.906 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -4.607 -14.027 6.279 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -2.477 -14.238 6.991 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -2.683 -13.046 8.259 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -1.165 -14.761 9.248 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -1.955 -16.033 10.184 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.877 -10.103 6.169 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.960 -9.282 5.380 1.00 41.01 C ATOM 1451 C PRO A 96 -1.495 -9.635 5.606 1.00 1.53 C ATOM 1452 O PRO A 96 -1.163 -10.411 6.502 1.00 11.13 O ATOM 1453 CB PRO A 96 -3.224 -7.889 5.930 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.653 -7.894 6.344 1.00 12.13 C ATOM 1455 CD PRO A 96 -5.006 -9.312 6.690 1.00 13.13 C ATOM 0 HA PRO A 96 -3.124 -9.407 4.310 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.571 -7.669 6.774 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -3.036 -7.126 5.175 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.808 -7.238 7.201 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -5.289 -7.524 5.540 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -5.121 -9.443 7.766 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.948 -9.611 6.230 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.614 -9.035 4.811 1.00 3.32 N ATOM 1464 CA VAL A 97 0.804 -9.273 4.956 1.00 62.24 C ATOM 1465 C VAL A 97 1.458 -8.076 5.613 1.00 12.14 C ATOM 1466 O VAL A 97 1.994 -7.199 4.936 1.00 15.12 O ATOM 1467 CB VAL A 97 1.482 -9.546 3.605 1.00 14.00 C ATOM 1468 CG1 VAL A 97 2.941 -9.927 3.813 1.00 44.42 C ATOM 1469 CG2 VAL A 97 0.735 -10.635 2.847 1.00 64.03 C ATOM 0 H VAL A 97 -0.863 -8.385 4.066 1.00 3.32 H new ATOM 0 HA VAL A 97 0.927 -10.159 5.578 1.00 62.24 H new ATOM 0 HB VAL A 97 1.451 -8.636 3.006 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.409 -10.118 2.847 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.462 -9.111 4.314 1.00 44.42 H new ATOM 0 HG13 VAL A 97 2.998 -10.826 4.427 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.228 -10.817 1.892 1.00 64.03 H new ATOM 0 HG22 VAL A 97 0.734 -11.553 3.435 1.00 64.03 H new ATOM 0 HG23 VAL A 97 -0.292 -10.316 2.670 1.00 64.03 H new ATOM 1479 N THR A 98 1.396 -8.041 6.937 1.00 41.44 N ATOM 1480 CA THR A 98 1.981 -6.948 7.689 1.00 64.43 C ATOM 1481 C THR A 98 3.492 -6.956 7.520 1.00 21.02 C ATOM 1482 O THR A 98 4.125 -8.011 7.551 1.00 30.03 O ATOM 1483 CB THR A 98 1.602 -7.045 9.164 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.399 -6.172 9.946 1.00 24.31 O ATOM 1485 CG2 THR A 98 1.750 -8.439 9.735 1.00 50.13 C ATOM 0 H THR A 98 0.947 -8.757 7.508 1.00 41.44 H new ATOM 0 HA THR A 98 1.590 -6.007 7.304 1.00 64.43 H new ATOM 0 HB THR A 98 0.549 -6.765 9.208 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.139 -6.248 10.888 1.00 24.31 H new ATOM 0 HG21 THR A 98 1.464 -8.434 10.787 1.00 50.13 H new ATOM 0 HG22 THR A 98 1.106 -9.127 9.187 1.00 50.13 H new ATOM 0 HG23 THR A 98 2.787 -8.762 9.643 1.00 50.13 H new ATOM 1493 N TYR A 99 4.060 -5.780 7.308 1.00 11.02 N ATOM 1494 CA TYR A 99 5.491 -5.658 7.097 1.00 35.40 C ATOM 1495 C TYR A 99 6.076 -4.496 7.895 1.00 21.30 C ATOM 1496 O TYR A 99 5.342 -3.681 8.451 1.00 23.13 O ATOM 1497 CB TYR A 99 5.753 -5.473 5.605 1.00 10.30 C ATOM 1498 CG TYR A 99 6.438 -6.656 4.961 1.00 52.22 C ATOM 1499 CD1 TYR A 99 5.713 -7.788 4.600 1.00 32.43 C ATOM 1500 CD2 TYR A 99 7.805 -6.646 4.717 1.00 4.22 C ATOM 1501 CE1 TYR A 99 6.334 -8.874 4.014 1.00 14.41 C ATOM 1502 CE2 TYR A 99 8.432 -7.729 4.131 1.00 35.13 C ATOM 1503 CZ TYR A 99 7.693 -8.840 3.782 1.00 52.53 C ATOM 1504 OH TYR A 99 8.315 -9.919 3.198 1.00 43.14 O ATOM 0 H TYR A 99 3.551 -4.897 7.278 1.00 11.02 H new ATOM 0 HA TYR A 99 5.981 -6.566 7.449 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.805 -5.292 5.098 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.367 -4.584 5.460 1.00 10.30 H new ATOM 0 HD1 TYR A 99 4.649 -7.818 4.781 1.00 32.43 H new ATOM 0 HD2 TYR A 99 8.387 -5.778 4.990 1.00 4.22 H new ATOM 0 HE1 TYR A 99 5.758 -9.745 3.739 1.00 14.41 H new ATOM 0 HE2 TYR A 99 9.496 -7.706 3.947 1.00 35.13 H new ATOM 0 HH TYR A 99 9.273 -9.733 3.104 1.00 43.14 H new ATOM 1514 N SER A 100 7.403 -4.430 7.955 1.00 31.31 N ATOM 1515 CA SER A 100 8.081 -3.371 8.694 1.00 32.14 C ATOM 1516 C SER A 100 8.830 -2.423 7.758 1.00 23.31 C ATOM 1517 O SER A 100 9.707 -1.677 8.194 1.00 62.10 O ATOM 1518 CB SER A 100 9.055 -3.975 9.707 1.00 40.51 C ATOM 1519 OG SER A 100 10.101 -4.674 9.056 1.00 1.21 O ATOM 0 H SER A 100 8.029 -5.096 7.502 1.00 31.31 H new ATOM 0 HA SER A 100 7.319 -2.795 9.220 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.474 -3.184 10.329 1.00 40.51 H new ATOM 0 HB3 SER A 100 8.519 -4.653 10.372 1.00 40.51 H new ATOM 0 HG SER A 100 10.710 -5.049 9.726 1.00 1.21 H new ATOM 1525 N GLY A 101 8.481 -2.450 6.475 1.00 13.00 N ATOM 1526 CA GLY A 101 9.134 -1.581 5.515 1.00 32.02 C ATOM 1527 C GLY A 101 10.254 -2.276 4.769 1.00 62.13 C ATOM 1528 O GLY A 101 10.685 -3.363 5.153 1.00 15.31 O ATOM 0 H GLY A 101 7.760 -3.057 6.085 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.397 -1.217 4.799 1.00 32.02 H new ATOM 0 HA3 GLY A 101 9.533 -0.709 6.033 1.00 32.02 H new ATOM 1532 N SER A 102 10.727 -1.645 3.700 1.00 50.31 N ATOM 1533 CA SER A 102 11.805 -2.209 2.897 1.00 71.21 C ATOM 1534 C SER A 102 12.493 -1.129 2.065 1.00 63.42 C ATOM 1535 O SER A 102 13.714 -1.126 1.926 1.00 24.21 O ATOM 1536 CB SER A 102 11.266 -3.308 1.979 1.00 23.50 C ATOM 1537 OG SER A 102 10.849 -4.438 2.725 1.00 75.23 O ATOM 0 H SER A 102 10.381 -0.744 3.370 1.00 50.31 H new ATOM 0 HA SER A 102 12.540 -2.640 3.577 1.00 71.21 H new ATOM 0 HB2 SER A 102 10.428 -2.922 1.398 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.038 -3.603 1.268 1.00 23.50 H new ATOM 0 HG SER A 102 11.105 -4.323 3.664 1.00 75.23 H new ATOM 1543 N ARG A 103 11.693 -0.219 1.513 1.00 13.43 N ATOM 1544 CA ARG A 103 12.202 0.874 0.685 1.00 74.42 C ATOM 1545 C ARG A 103 12.677 0.359 -0.673 1.00 52.14 C ATOM 1546 O ARG A 103 13.518 0.976 -1.327 1.00 2.14 O ATOM 1547 CB ARG A 103 13.320 1.638 1.419 1.00 32.55 C ATOM 1548 CG ARG A 103 14.740 1.215 1.055 1.00 62.25 C ATOM 1549 CD ARG A 103 15.636 1.156 2.282 1.00 24.05 C ATOM 1550 NE ARG A 103 16.716 0.184 2.127 1.00 31.04 N ATOM 1551 CZ ARG A 103 17.412 -0.319 3.144 1.00 1.13 C ATOM 1552 NH1 ARG A 103 17.144 0.054 4.389 1.00 72.31 N ATOM 1553 NH2 ARG A 103 18.378 -1.197 2.915 1.00 73.50 N ATOM 0 H ARG A 103 10.679 -0.217 1.626 1.00 13.43 H new ATOM 0 HA ARG A 103 11.385 1.572 0.502 1.00 74.42 H new ATOM 0 HB2 ARG A 103 13.210 2.702 1.210 1.00 32.55 H new ATOM 0 HB3 ARG A 103 13.183 1.508 2.493 1.00 32.55 H new ATOM 0 HG2 ARG A 103 14.717 0.238 0.573 1.00 62.25 H new ATOM 0 HG3 ARG A 103 15.156 1.917 0.333 1.00 62.25 H new ATOM 0 HD2 ARG A 103 16.061 2.143 2.468 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.038 0.896 3.155 1.00 24.05 H new ATOM 0 HE ARG A 103 16.950 -0.127 1.184 1.00 31.04 H new ATOM 0 HH11 ARG A 103 16.401 0.729 4.570 1.00 72.31 H new ATOM 0 HH12 ARG A 103 17.681 -0.335 5.165 1.00 72.31 H new ATOM 0 HH21 ARG A 103 18.588 -1.487 1.960 1.00 73.50 H new ATOM 0 HH22 ARG A 103 18.912 -1.583 3.694 1.00 73.50 H new ATOM 1567 N THR A 104 12.132 -0.779 -1.084 1.00 51.13 N ATOM 1568 CA THR A 104 12.495 -1.388 -2.354 1.00 63.43 C ATOM 1569 C THR A 104 11.277 -1.649 -3.225 1.00 10.52 C ATOM 1570 O THR A 104 10.325 -2.306 -2.803 1.00 43.31 O ATOM 1571 CB THR A 104 13.223 -2.701 -2.107 1.00 53.32 C ATOM 1572 OG1 THR A 104 12.476 -3.531 -1.234 1.00 61.20 O ATOM 1573 CG2 THR A 104 14.581 -2.502 -1.500 1.00 35.33 C ATOM 0 H THR A 104 11.434 -1.300 -0.553 1.00 51.13 H new ATOM 0 HA THR A 104 13.145 -0.688 -2.879 1.00 63.43 H new ATOM 0 HB THR A 104 13.338 -3.168 -3.085 1.00 53.32 H new ATOM 0 HG1 THR A 104 13.082 -4.141 -0.765 1.00 61.20 H new ATOM 0 HG21 THR A 104 15.056 -3.471 -1.345 1.00 35.33 H new ATOM 0 HG22 THR A 104 15.195 -1.900 -2.170 1.00 35.33 H new ATOM 0 HG23 THR A 104 14.480 -1.990 -0.543 1.00 35.33 H new ATOM 1581 N VAL A 105 11.329 -1.155 -4.452 1.00 53.23 N ATOM 1582 CA VAL A 105 10.248 -1.360 -5.398 1.00 31.22 C ATOM 1583 C VAL A 105 10.255 -2.800 -5.895 1.00 4.43 C ATOM 1584 O VAL A 105 9.214 -3.352 -6.251 1.00 4.43 O ATOM 1585 CB VAL A 105 10.374 -0.415 -6.605 1.00 25.14 C ATOM 1586 CG1 VAL A 105 9.278 -0.699 -7.619 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.334 1.037 -6.154 1.00 12.42 C ATOM 0 H VAL A 105 12.110 -0.609 -4.815 1.00 53.23 H new ATOM 0 HA VAL A 105 9.312 -1.147 -4.881 1.00 31.22 H new ATOM 0 HB VAL A 105 11.336 -0.593 -7.085 1.00 25.14 H new ATOM 0 HG11 VAL A 105 9.382 -0.022 -8.467 1.00 41.23 H new ATOM 0 HG12 VAL A 105 9.361 -1.729 -7.966 1.00 41.23 H new ATOM 0 HG13 VAL A 105 8.304 -0.550 -7.153 1.00 41.23 H new ATOM 0 HG21 VAL A 105 10.425 1.690 -7.022 1.00 12.42 H new ATOM 0 HG22 VAL A 105 9.389 1.235 -5.648 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.160 1.228 -5.469 1.00 12.42 H new ATOM 1597 N GLU A 106 11.439 -3.401 -5.912 1.00 21.14 N ATOM 1598 CA GLU A 106 11.589 -4.776 -6.360 1.00 34.33 C ATOM 1599 C GLU A 106 10.930 -5.718 -5.370 1.00 74.15 C ATOM 1600 O GLU A 106 10.326 -6.728 -5.746 1.00 5.20 O ATOM 1601 CB GLU A 106 13.070 -5.121 -6.505 1.00 44.31 C ATOM 1602 CG GLU A 106 13.904 -3.978 -7.053 1.00 51.44 C ATOM 1603 CD GLU A 106 14.754 -4.386 -8.240 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.167 -5.564 -8.298 1.00 0.23 O ATOM 1605 OE2 GLU A 106 15.006 -3.528 -9.112 1.00 13.12 O ATOM 0 H GLU A 106 12.309 -2.955 -5.620 1.00 21.14 H new ATOM 0 HA GLU A 106 11.105 -4.887 -7.330 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.464 -5.415 -5.532 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.172 -5.984 -7.164 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.244 -3.162 -7.348 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.551 -3.595 -6.263 1.00 51.44 H new ATOM 1612 N ASP A 107 11.029 -5.362 -4.097 1.00 22.20 N ATOM 1613 CA ASP A 107 10.427 -6.156 -3.042 1.00 22.14 C ATOM 1614 C ASP A 107 8.922 -5.966 -3.061 1.00 30.35 C ATOM 1615 O ASP A 107 8.172 -6.836 -2.627 1.00 45.13 O ATOM 1616 CB ASP A 107 10.992 -5.764 -1.677 1.00 34.21 C ATOM 1617 CG ASP A 107 10.568 -6.721 -0.580 1.00 23.23 C ATOM 1618 OD1 ASP A 107 9.355 -6.792 -0.289 1.00 53.32 O ATOM 1619 OD2 ASP A 107 11.449 -7.401 -0.012 1.00 52.13 O ATOM 0 H ASP A 107 11.520 -4.529 -3.773 1.00 22.20 H new ATOM 0 HA ASP A 107 10.662 -7.206 -3.216 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.080 -5.737 -1.731 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.660 -4.757 -1.425 1.00 34.21 H new ATOM 1624 N LEU A 108 8.493 -4.820 -3.587 1.00 13.14 N ATOM 1625 CA LEU A 108 7.076 -4.505 -3.687 1.00 21.53 C ATOM 1626 C LEU A 108 6.411 -5.407 -4.704 1.00 44.54 C ATOM 1627 O LEU A 108 5.380 -6.022 -4.430 1.00 54.12 O ATOM 1628 CB LEU A 108 6.888 -3.045 -4.084 1.00 44.23 C ATOM 1629 CG LEU A 108 6.833 -2.069 -2.913 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.594 -0.653 -3.409 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.749 -2.483 -1.928 1.00 1.34 C ATOM 0 H LEU A 108 9.111 -4.095 -3.950 1.00 13.14 H new ATOM 0 HA LEU A 108 6.613 -4.668 -2.714 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.705 -2.754 -4.744 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.966 -2.954 -4.659 1.00 44.23 H new ATOM 0 HG LEU A 108 7.793 -2.092 -2.398 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.558 0.029 -2.559 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.405 -0.359 -4.076 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.648 -0.611 -3.948 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.722 -1.777 -1.098 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.782 -2.488 -2.432 1.00 1.34 H new ATOM 0 HD23 LEU A 108 5.965 -3.481 -1.548 1.00 1.34 H new ATOM 1643 N ILE A 109 7.019 -5.507 -5.875 1.00 64.31 N ATOM 1644 CA ILE A 109 6.494 -6.366 -6.917 1.00 13.12 C ATOM 1645 C ILE A 109 6.351 -7.782 -6.372 1.00 1.02 C ATOM 1646 O ILE A 109 5.265 -8.365 -6.392 1.00 62.41 O ATOM 1647 CB ILE A 109 7.417 -6.370 -8.153 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.461 -4.977 -8.786 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.962 -7.409 -9.172 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.861 -4.510 -9.121 1.00 65.14 C ATOM 0 H ILE A 109 7.872 -5.006 -6.124 1.00 64.31 H new ATOM 0 HA ILE A 109 5.521 -5.985 -7.226 1.00 13.12 H new ATOM 0 HB ILE A 109 8.422 -6.638 -7.828 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.860 -4.981 -9.696 1.00 63.20 H new ATOM 0 HG13 ILE A 109 7.002 -4.262 -8.104 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.630 -7.391 -10.033 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.984 -8.399 -8.717 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.946 -7.181 -9.496 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.816 -3.516 -9.566 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.460 -4.474 -8.211 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.317 -5.204 -9.828 1.00 65.14 H new ATOM 1662 N LYS A 110 7.450 -8.308 -5.840 1.00 11.50 N ATOM 1663 CA LYS A 110 7.449 -9.635 -5.252 1.00 41.30 C ATOM 1664 C LYS A 110 6.540 -9.662 -4.035 1.00 4.32 C ATOM 1665 O LYS A 110 6.120 -10.726 -3.579 1.00 2.43 O ATOM 1666 CB LYS A 110 8.868 -10.036 -4.850 1.00 41.03 C ATOM 1667 CG LYS A 110 9.501 -11.052 -5.787 1.00 60.41 C ATOM 1668 CD LYS A 110 9.432 -12.458 -5.213 1.00 43.44 C ATOM 1669 CE LYS A 110 10.540 -13.340 -5.765 1.00 44.51 C ATOM 1670 NZ LYS A 110 10.064 -14.192 -6.889 1.00 34.32 N ATOM 0 H LYS A 110 8.351 -7.832 -5.806 1.00 11.50 H new ATOM 0 HA LYS A 110 7.078 -10.346 -5.991 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.494 -9.144 -4.818 1.00 41.03 H new ATOM 0 HB3 LYS A 110 8.848 -10.448 -3.841 1.00 41.03 H new ATOM 0 HG2 LYS A 110 8.992 -11.026 -6.751 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.541 -10.783 -5.968 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.509 -12.413 -4.127 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.463 -12.900 -5.446 1.00 43.44 H new ATOM 0 HE2 LYS A 110 11.365 -12.715 -6.107 1.00 44.51 H new ATOM 0 HE3 LYS A 110 10.930 -13.974 -4.969 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 10.849 -14.778 -7.237 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.294 -14.807 -6.557 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 9.716 -13.587 -7.660 1.00 34.32 H new ATOM 1684 N PHE A 111 6.240 -8.478 -3.509 1.00 33.42 N ATOM 1685 CA PHE A 111 5.390 -8.360 -2.350 1.00 12.40 C ATOM 1686 C PHE A 111 3.986 -8.823 -2.673 1.00 40.41 C ATOM 1687 O PHE A 111 3.602 -9.935 -2.338 1.00 21.53 O ATOM 1688 CB PHE A 111 5.365 -6.920 -1.871 1.00 64.35 C ATOM 1689 CG PHE A 111 5.049 -6.758 -0.412 1.00 33.13 C ATOM 1690 CD1 PHE A 111 3.883 -7.287 0.118 1.00 12.22 C ATOM 1691 CD2 PHE A 111 5.908 -6.066 0.425 1.00 43.23 C ATOM 1692 CE1 PHE A 111 3.581 -7.131 1.457 1.00 2.32 C ATOM 1693 CE2 PHE A 111 5.611 -5.905 1.765 1.00 33.12 C ATOM 1694 CZ PHE A 111 4.446 -6.438 2.281 1.00 24.21 C ATOM 0 H PHE A 111 6.579 -7.589 -3.876 1.00 33.42 H new ATOM 0 HA PHE A 111 5.791 -8.993 -1.558 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.335 -6.466 -2.073 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.627 -6.369 -2.454 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.202 -7.828 -0.523 1.00 12.22 H new ATOM 0 HD2 PHE A 111 6.820 -5.647 0.026 1.00 43.23 H new ATOM 0 HE1 PHE A 111 2.670 -7.550 1.859 1.00 2.32 H new ATOM 0 HE2 PHE A 111 6.289 -5.363 2.408 1.00 33.12 H new ATOM 0 HZ PHE A 111 4.212 -6.313 3.328 1.00 24.21 H new ATOM 1704 N ILE A 112 3.235 -7.973 -3.357 1.00 71.40 N ATOM 1705 CA ILE A 112 1.877 -8.313 -3.745 1.00 72.10 C ATOM 1706 C ILE A 112 1.883 -9.453 -4.749 1.00 63.21 C ATOM 1707 O ILE A 112 0.835 -9.966 -5.127 1.00 61.34 O ATOM 1708 CB ILE A 112 1.137 -7.114 -4.371 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.588 -5.800 -3.728 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.364 -7.298 -4.227 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.516 -4.987 -4.605 1.00 24.14 C ATOM 0 H ILE A 112 3.542 -7.047 -3.653 1.00 71.40 H new ATOM 0 HA ILE A 112 1.355 -8.610 -2.835 1.00 72.10 H new ATOM 0 HB ILE A 112 1.383 -7.067 -5.432 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.709 -5.201 -3.489 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.090 -6.019 -2.786 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.879 -6.447 -4.672 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.669 -8.213 -4.735 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.622 -7.367 -3.170 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.796 -4.070 -4.087 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.412 -5.568 -4.823 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.010 -4.737 -5.537 1.00 24.14 H new ATOM 1723 N ALA A 113 3.074 -9.854 -5.169 1.00 65.34 N ATOM 1724 CA ALA A 113 3.200 -10.944 -6.137 1.00 25.50 C ATOM 1725 C ALA A 113 3.414 -12.278 -5.440 1.00 50.32 C ATOM 1726 O ALA A 113 3.164 -13.339 -6.012 1.00 62.32 O ATOM 1727 CB ALA A 113 4.325 -10.675 -7.122 1.00 31.51 C ATOM 0 H ALA A 113 3.959 -9.450 -4.862 1.00 65.34 H new ATOM 0 HA ALA A 113 2.264 -10.996 -6.692 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.395 -11.502 -7.829 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.122 -9.751 -7.663 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.267 -10.579 -6.581 1.00 31.51 H new ATOM 1733 N GLU A 114 3.849 -12.215 -4.192 1.00 22.41 N ATOM 1734 CA GLU A 114 4.066 -13.415 -3.394 1.00 51.43 C ATOM 1735 C GLU A 114 3.105 -13.394 -2.221 1.00 52.15 C ATOM 1736 O GLU A 114 2.721 -14.429 -1.676 1.00 3.41 O ATOM 1737 CB GLU A 114 5.512 -13.482 -2.898 1.00 23.01 C ATOM 1738 CG GLU A 114 6.540 -13.507 -4.018 1.00 60.52 C ATOM 1739 CD GLU A 114 7.366 -14.778 -4.025 1.00 52.03 C ATOM 1740 OE1 GLU A 114 6.928 -15.768 -4.649 1.00 21.42 O ATOM 1741 OE2 GLU A 114 8.451 -14.785 -3.406 1.00 33.21 O ATOM 0 H GLU A 114 4.060 -11.343 -3.707 1.00 22.41 H new ATOM 0 HA GLU A 114 3.885 -14.298 -4.006 1.00 51.43 H new ATOM 0 HB2 GLU A 114 5.707 -12.623 -2.256 1.00 23.01 H new ATOM 0 HB3 GLU A 114 5.635 -14.374 -2.283 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.030 -13.404 -4.976 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.203 -12.648 -3.916 1.00 60.52 H new ATOM 1748 N ASN A 115 2.725 -12.180 -1.857 1.00 45.32 N ATOM 1749 CA ASN A 115 1.815 -11.920 -0.780 1.00 63.32 C ATOM 1750 C ASN A 115 0.415 -11.728 -1.330 1.00 23.34 C ATOM 1751 O ASN A 115 -0.577 -12.054 -0.678 1.00 24.10 O ATOM 1752 CB ASN A 115 2.288 -10.658 -0.084 1.00 63.53 C ATOM 1753 CG ASN A 115 3.549 -10.903 0.709 1.00 20.43 C ATOM 1754 OD1 ASN A 115 3.526 -11.498 1.785 1.00 74.23 O ATOM 1755 ND2 ASN A 115 4.662 -10.457 0.156 1.00 70.42 N ATOM 0 H ASN A 115 3.056 -11.334 -2.321 1.00 45.32 H new ATOM 0 HA ASN A 115 1.790 -12.753 -0.078 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.468 -9.879 -0.824 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.505 -10.292 0.580 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.557 -10.600 0.624 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.627 -9.969 -0.739 1.00 70.42 H new ATOM 1762 N GLY A 116 0.347 -11.193 -2.546 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.924 -10.964 -3.173 1.00 0.40 C ATOM 1764 C GLY A 116 -1.527 -12.229 -3.741 1.00 4.13 C ATOM 1765 O GLY A 116 -0.816 -13.192 -4.025 1.00 12.25 O ATOM 0 H GLY A 116 1.156 -10.917 -3.102 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.612 -10.533 -2.446 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.805 -10.232 -3.972 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.839 -12.217 -3.929 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.538 -13.362 -4.496 1.00 65.20 C ATOM 1771 C LYS A 117 -3.511 -13.243 -6.002 1.00 20.51 C ATOM 1772 O LYS A 117 -3.461 -14.235 -6.728 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.985 -13.411 -4.015 1.00 72.12 C ATOM 1774 CG LYS A 117 -5.125 -13.516 -2.506 1.00 74.02 C ATOM 1775 CD LYS A 117 -5.065 -14.962 -2.041 1.00 64.42 C ATOM 1776 CE LYS A 117 -3.644 -15.380 -1.702 1.00 24.11 C ATOM 1777 NZ LYS A 117 -3.611 -16.454 -0.672 1.00 51.02 N ATOM 0 H LYS A 117 -3.441 -11.427 -3.697 1.00 30.14 H new ATOM 0 HA LYS A 117 -3.042 -14.278 -4.175 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.503 -12.515 -4.357 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.483 -14.263 -4.477 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -4.331 -12.945 -2.025 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -6.071 -13.072 -2.195 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -5.702 -15.090 -1.166 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -5.460 -15.613 -2.821 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -3.143 -15.728 -2.605 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -3.087 -14.515 -1.342 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -2.624 -16.710 -0.469 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -4.066 -16.114 0.199 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -4.120 -17.289 -1.025 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.533 -12.000 -6.451 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.496 -11.689 -7.858 1.00 54.21 C ATOM 1793 C TYR A 118 -2.122 -12.024 -8.435 1.00 31.22 C ATOM 1794 O TYR A 118 -1.975 -12.224 -9.640 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.809 -10.207 -8.054 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.185 -9.946 -8.622 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -6.287 -9.831 -7.785 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -5.383 -9.815 -9.990 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -7.548 -9.593 -8.294 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -6.642 -9.576 -10.508 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.721 -9.466 -9.656 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.976 -9.229 -10.167 1.00 31.31 O ATOM 0 H TYR A 118 -3.577 -11.181 -5.844 1.00 41.14 H new ATOM 0 HA TYR A 118 -4.242 -12.286 -8.382 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.718 -9.696 -7.096 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.063 -9.772 -8.719 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -6.155 -9.929 -6.718 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -4.540 -9.901 -10.660 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -8.395 -9.507 -7.629 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -6.780 -9.476 -11.574 1.00 2.21 H new ATOM 0 HH TYR A 118 -8.925 -9.165 -11.144 1.00 31.31 H new ATOM 1812 N LYS A 119 -1.115 -12.087 -7.558 1.00 14.21 N ATOM 1813 CA LYS A 119 0.245 -12.401 -7.973 1.00 21.52 C ATOM 1814 C LYS A 119 0.735 -11.428 -9.040 1.00 1.24 C ATOM 1815 O LYS A 119 1.363 -11.828 -10.020 1.00 32.33 O ATOM 1816 CB LYS A 119 0.325 -13.833 -8.498 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.448 -14.835 -7.659 1.00 41.10 C ATOM 1818 CD LYS A 119 0.154 -14.980 -6.271 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.699 -15.869 -5.382 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.071 -16.399 -4.223 1.00 25.12 N ATOM 0 H LYS A 119 -1.222 -11.924 -6.557 1.00 14.21 H new ATOM 0 HA LYS A 119 0.890 -12.304 -7.100 1.00 21.52 H new ATOM 0 HB2 LYS A 119 -0.055 -13.858 -9.519 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.371 -14.137 -8.540 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.487 -14.516 -7.575 1.00 41.10 H new ATOM 0 HG3 LYS A 119 -0.451 -15.804 -8.158 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.157 -15.399 -6.351 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.255 -13.996 -5.813 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.557 -15.303 -5.019 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -1.090 -16.700 -5.968 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 -0.547 -17.000 -3.642 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 0.875 -16.960 -4.568 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 0.423 -15.607 -3.649 1.00 25.12 H new ATOM 1834 N ALA A 120 0.446 -10.148 -8.840 1.00 74.40 N ATOM 1835 CA ALA A 120 0.862 -9.119 -9.784 1.00 54.30 C ATOM 1836 C ALA A 120 2.365 -8.880 -9.705 1.00 30.52 C ATOM 1837 O ALA A 120 2.858 -8.265 -8.759 1.00 33.35 O ATOM 1838 CB ALA A 120 0.105 -7.827 -9.523 1.00 64.55 C ATOM 0 H ALA A 120 -0.073 -9.799 -8.035 1.00 74.40 H new ATOM 0 HA ALA A 120 0.628 -9.466 -10.790 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.426 -7.067 -10.235 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -0.965 -8.003 -9.637 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.310 -7.483 -8.509 1.00 64.55 H new ATOM 1844 N ALA A 121 3.089 -9.367 -10.707 1.00 10.42 N ATOM 1845 CA ALA A 121 4.536 -9.206 -10.755 1.00 22.33 C ATOM 1846 C ALA A 121 5.033 -9.145 -12.196 1.00 32.25 C ATOM 1847 O ALA A 121 4.663 -10.038 -12.987 1.00 52.14 O ATOM 1848 CB ALA A 121 5.219 -10.341 -10.005 1.00 73.22 C ATOM 1849 OXT ALA A 121 5.786 -8.203 -12.522 1.00 38.03 O ATOM 0 H ALA A 121 2.696 -9.877 -11.498 1.00 10.42 H new ATOM 0 HA ALA A 121 4.789 -8.263 -10.271 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.300 -10.208 -10.049 1.00 73.22 H new ATOM 0 HB2 ALA A 121 4.895 -10.336 -8.964 1.00 73.22 H new ATOM 0 HB3 ALA A 121 4.952 -11.293 -10.464 1.00 73.22 H new TER 1855 ALA A 121