USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 91 SER OG : rot 180:sc= 0.486 USER MOD Set 1.2: A 100 THR OG1 : rot -119:sc= 0.526 USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -122:sc= 0.137 (180deg=-0.00101) USER MOD Set 3.2: A 89 THR OG1 : rot -140:sc= 0.618 USER MOD Set 4.1: A 23 GLN : amide:sc= 1.08 K(o=2.1,f=-9.6!) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -127:sc= 1.07 (180deg=-0.0352) USER MOD Set 5.1: A 7 HIS : no HE2:sc= -0.276 K(o=-0.41,f=-1.2) USER MOD Set 5.2: A 8 HIS :FLIP no HD1:sc= -0.135 F(o=-1.2,f=-0.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.081 (180deg=-8.05e-05) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 9 SER OG : rot 158:sc= 0.36 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.018) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 1.28 (180deg=-0.0635) USER MOD Single : A 17 MET CE :methyl 172:sc= 0 (180deg=-0.0683) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 19:sc= 0.315 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0.84 (180deg=0.661) USER MOD Single : A 37 CYS SG : rot -150:sc= -0.406 USER MOD Single : A 38 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= -0.325 K(o=-0.32,f=-3!) USER MOD Single : A 55 MET CE :methyl -150:sc= -0.349 (180deg=-1.26) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 59 ASN : amide:sc= -0.712 K(o=-0.71,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 70 THR OG1 : rot -27:sc= 0.633 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.382 F(o=-2.7!,f=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= 1.09 (180deg=-0.675!) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= -0.0208 (180deg=-0.175) USER MOD Single : A 88 TYR OH : rot -29:sc= -0.0526 USER MOD Single : A 94 ASN : amide:sc= -2.32! C(o=-2.3!,f=-13!) USER MOD Single : A 99 THR OG1 : rot -80:sc= 0.321 USER MOD Single : A 101 CYS SG : rot 160:sc= -0.579 USER MOD Single : A 102 ASN : amide:sc= -0.569 K(o=-0.57,f=-4.7!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 108 THR OG1 : rot 130:sc= -0.0222 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 25:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.490 -9.311 8.166 1.00 62.31 N ATOM 2 CA MET A 1 32.335 -10.405 7.167 1.00 41.15 C ATOM 3 C MET A 1 33.198 -10.153 5.922 1.00 41.41 C ATOM 4 O MET A 1 33.881 -9.135 5.823 1.00 22.21 O ATOM 5 CB MET A 1 30.861 -10.558 6.752 1.00 75.02 C ATOM 6 CG MET A 1 29.961 -11.137 7.837 1.00 65.13 C ATOM 7 SD MET A 1 28.246 -11.290 7.299 1.00 13.13 S ATOM 8 CE MET A 1 27.527 -12.165 8.690 1.00 52.04 C ATOM 0 H1 MET A 1 32.706 -9.720 9.098 1.00 62.31 H new ATOM 0 H2 MET A 1 33.266 -8.683 7.875 1.00 62.31 H new ATOM 0 H3 MET A 1 31.606 -8.766 8.224 1.00 62.31 H new ATOM 0 HA MET A 1 32.672 -11.327 7.640 1.00 41.15 H new ATOM 0 HB2 MET A 1 30.475 -9.582 6.459 1.00 75.02 H new ATOM 0 HB3 MET A 1 30.808 -11.199 5.872 1.00 75.02 H new ATOM 0 HG2 MET A 1 30.336 -12.118 8.131 1.00 65.13 H new ATOM 0 HG3 MET A 1 30.006 -10.501 8.721 1.00 65.13 H new ATOM 0 HE1 MET A 1 26.466 -12.334 8.505 1.00 52.04 H new ATOM 0 HE2 MET A 1 28.030 -13.124 8.816 1.00 52.04 H new ATOM 0 HE3 MET A 1 27.647 -11.570 9.595 1.00 52.04 H new ATOM 20 N GLY A 2 33.154 -11.092 4.979 1.00 64.12 N ATOM 21 CA GLY A 2 33.944 -10.980 3.754 1.00 55.25 C ATOM 22 C GLY A 2 34.246 -12.337 3.125 1.00 13.55 C ATOM 23 O GLY A 2 33.334 -13.131 2.882 1.00 23.30 O ATOM 0 H GLY A 2 32.583 -11.935 5.039 1.00 64.12 H new ATOM 0 HA2 GLY A 2 33.407 -10.362 3.035 1.00 55.25 H new ATOM 0 HA3 GLY A 2 34.881 -10.470 3.976 1.00 55.25 H new ATOM 27 N HIS A 3 35.521 -12.609 2.857 1.00 3.22 N ATOM 28 CA HIS A 3 35.932 -13.897 2.284 1.00 1.44 C ATOM 29 C HIS A 3 36.937 -14.639 3.188 1.00 32.03 C ATOM 30 O HIS A 3 36.994 -15.870 3.176 1.00 23.21 O ATOM 31 CB HIS A 3 36.522 -13.693 0.883 1.00 12.33 C ATOM 32 CG HIS A 3 36.999 -14.963 0.244 1.00 40.11 C ATOM 33 ND1 HIS A 3 38.323 -15.209 -0.047 1.00 63.55 N ATOM 34 CD2 HIS A 3 36.321 -16.066 -0.155 1.00 5.23 C ATOM 35 CE1 HIS A 3 38.439 -16.402 -0.593 1.00 42.33 C ATOM 36 NE2 HIS A 3 37.242 -16.941 -0.669 1.00 23.54 N ATOM 0 H HIS A 3 36.289 -11.959 3.025 1.00 3.22 H new ATOM 0 HA HIS A 3 35.041 -14.520 2.210 1.00 1.44 H new ATOM 0 HB2 HIS A 3 35.768 -13.235 0.243 1.00 12.33 H new ATOM 0 HB3 HIS A 3 37.355 -12.993 0.947 1.00 12.33 H new ATOM 0 HD2 HIS A 3 35.255 -16.226 -0.082 1.00 5.23 H new ATOM 0 HE1 HIS A 3 39.360 -16.860 -0.922 1.00 42.33 H new ATOM 0 HE2 HIS A 3 37.032 -17.864 -1.050 1.00 23.54 H new ATOM 45 N HIS A 4 37.718 -13.896 3.974 1.00 43.25 N ATOM 46 CA HIS A 4 38.714 -14.498 4.872 1.00 22.14 C ATOM 47 C HIS A 4 38.066 -15.490 5.855 1.00 54.22 C ATOM 48 O HIS A 4 37.359 -15.089 6.783 1.00 14.12 O ATOM 49 CB HIS A 4 39.475 -13.411 5.648 1.00 12.52 C ATOM 50 CG HIS A 4 40.376 -12.572 4.790 1.00 60.00 C ATOM 51 ND1 HIS A 4 41.735 -12.785 4.697 1.00 24.10 N ATOM 52 CD2 HIS A 4 40.114 -11.510 3.988 1.00 5.25 C ATOM 53 CE1 HIS A 4 42.267 -11.900 3.881 1.00 12.04 C ATOM 54 NE2 HIS A 4 41.308 -11.117 3.438 1.00 22.42 N ATOM 0 H HIS A 4 37.683 -12.877 4.009 1.00 43.25 H new ATOM 0 HA HIS A 4 39.419 -15.050 4.250 1.00 22.14 H new ATOM 0 HB2 HIS A 4 38.755 -12.762 6.146 1.00 12.52 H new ATOM 0 HB3 HIS A 4 40.070 -13.885 6.429 1.00 12.52 H new ATOM 0 HD2 HIS A 4 39.148 -11.059 3.815 1.00 5.25 H new ATOM 0 HE1 HIS A 4 43.313 -11.829 3.620 1.00 12.04 H new ATOM 0 HE2 HIS A 4 41.432 -10.340 2.788 1.00 22.42 H new ATOM 63 N HIS A 5 38.305 -16.783 5.619 1.00 32.02 N ATOM 64 CA HIS A 5 37.771 -17.870 6.459 1.00 14.20 C ATOM 65 C HIS A 5 36.230 -17.922 6.446 1.00 74.02 C ATOM 66 O HIS A 5 35.608 -18.612 7.260 1.00 31.32 O ATOM 67 CB HIS A 5 38.296 -17.746 7.897 1.00 3.04 C ATOM 68 CG HIS A 5 39.797 -17.765 7.982 1.00 31.52 C ATOM 69 ND1 HIS A 5 40.541 -18.928 8.002 1.00 75.14 N ATOM 70 CD2 HIS A 5 40.695 -16.751 8.034 1.00 60.01 C ATOM 71 CE1 HIS A 5 41.824 -18.628 8.062 1.00 64.14 C ATOM 72 NE2 HIS A 5 41.945 -17.317 8.082 1.00 61.31 N ATOM 0 H HIS A 5 38.875 -17.111 4.839 1.00 32.02 H new ATOM 0 HA HIS A 5 38.124 -18.808 6.031 1.00 14.20 H new ATOM 0 HB2 HIS A 5 37.925 -16.819 8.334 1.00 3.04 H new ATOM 0 HB3 HIS A 5 37.894 -18.563 8.496 1.00 3.04 H new ATOM 0 HD2 HIS A 5 40.469 -15.695 8.037 1.00 60.01 H new ATOM 0 HE1 HIS A 5 42.638 -19.338 8.090 1.00 64.14 H new ATOM 0 HE2 HIS A 5 42.826 -16.804 8.126 1.00 61.31 H new ATOM 81 N HIS A 6 35.621 -17.214 5.498 1.00 25.41 N ATOM 82 CA HIS A 6 34.162 -17.191 5.354 1.00 70.01 C ATOM 83 C HIS A 6 33.672 -18.358 4.482 1.00 55.31 C ATOM 84 O HIS A 6 33.575 -18.234 3.260 1.00 61.03 O ATOM 85 CB HIS A 6 33.714 -15.847 4.752 1.00 72.43 C ATOM 86 CG HIS A 6 32.255 -15.782 4.400 1.00 70.51 C ATOM 87 ND1 HIS A 6 31.768 -16.109 3.151 1.00 61.13 N ATOM 88 CD2 HIS A 6 31.175 -15.421 5.134 1.00 34.01 C ATOM 89 CE1 HIS A 6 30.460 -15.947 3.131 1.00 24.34 C ATOM 90 NE2 HIS A 6 30.075 -15.531 4.317 1.00 1.30 N ATOM 0 H HIS A 6 36.116 -16.644 4.812 1.00 25.41 H new ATOM 0 HA HIS A 6 33.719 -17.304 6.343 1.00 70.01 H new ATOM 0 HB2 HIS A 6 33.940 -15.051 5.462 1.00 72.43 H new ATOM 0 HB3 HIS A 6 34.301 -15.651 3.855 1.00 72.43 H new ATOM 0 HD1 HIS A 6 32.333 -16.427 2.364 1.00 61.13 H new ATOM 0 HD2 HIS A 6 31.178 -15.106 6.167 1.00 34.01 H new ATOM 0 HE1 HIS A 6 29.814 -16.126 2.284 1.00 24.34 H new ATOM 99 N HIS A 7 33.376 -19.494 5.111 1.00 3.20 N ATOM 100 CA HIS A 7 32.884 -20.673 4.384 1.00 74.50 C ATOM 101 C HIS A 7 31.352 -20.819 4.489 1.00 75.11 C ATOM 102 O HIS A 7 30.691 -21.128 3.497 1.00 30.40 O ATOM 103 CB HIS A 7 33.608 -21.948 4.857 1.00 71.41 C ATOM 104 CG HIS A 7 33.886 -21.997 6.332 1.00 14.15 C ATOM 105 ND1 HIS A 7 34.980 -21.386 6.909 1.00 1.43 N ATOM 106 CD2 HIS A 7 33.220 -22.593 7.347 1.00 50.42 C ATOM 107 CE1 HIS A 7 34.974 -21.606 8.206 1.00 71.22 C ATOM 108 NE2 HIS A 7 33.918 -22.333 8.495 1.00 52.21 N ATOM 0 H HIS A 7 33.466 -19.627 6.118 1.00 3.20 H new ATOM 0 HA HIS A 7 33.113 -20.527 3.328 1.00 74.50 H new ATOM 0 HB2 HIS A 7 33.005 -22.815 4.585 1.00 71.41 H new ATOM 0 HB3 HIS A 7 34.552 -22.035 4.319 1.00 71.41 H new ATOM 0 HD1 HIS A 7 35.685 -20.846 6.407 1.00 1.43 H new ATOM 0 HD2 HIS A 7 32.308 -23.167 7.267 1.00 50.42 H new ATOM 0 HE1 HIS A 7 35.710 -21.250 8.912 1.00 71.22 H new ATOM 117 N HIS A 8 30.791 -20.593 5.684 1.00 2.35 N ATOM 118 CA HIS A 8 29.325 -20.602 5.869 1.00 51.30 C ATOM 119 C HIS A 8 28.922 -20.290 7.320 1.00 64.45 C ATOM 120 O HIS A 8 29.592 -20.701 8.272 1.00 13.24 O ATOM 121 CB HIS A 8 28.704 -21.948 5.449 1.00 65.53 C ATOM 122 CG HIS A 8 29.107 -23.109 6.307 1.00 25.53 C ATOM 123 ND1 HIS A 8 30.205 -23.900 6.276 1.00 71.01 N flip ATOM 124 CD2 HIS A 8 28.335 -23.579 7.344 1.00 51.03 C flip ATOM 125 CE1 HIS A 8 30.072 -24.821 7.283 1.00 65.04 C flip ATOM 126 NE2 HIS A 8 28.936 -24.605 7.911 1.00 52.42 N flip ATOM 0 H HIS A 8 31.321 -20.403 6.534 1.00 2.35 H new ATOM 0 HA HIS A 8 28.938 -19.815 5.223 1.00 51.30 H new ATOM 0 HB2 HIS A 8 27.618 -21.856 5.470 1.00 65.53 H new ATOM 0 HB3 HIS A 8 28.986 -22.159 4.417 1.00 65.53 H new ATOM 0 HD2 HIS A 8 27.383 -23.170 7.647 1.00 51.03 H new ATOM 0 HE1 HIS A 8 30.784 -25.597 7.522 1.00 65.04 H new ATOM 0 HE2 HIS A 8 28.581 -25.141 8.703 1.00 52.42 H new ATOM 135 N SER A 9 27.821 -19.563 7.470 1.00 71.24 N ATOM 136 CA SER A 9 27.241 -19.259 8.790 1.00 4.40 C ATOM 137 C SER A 9 25.872 -19.942 8.955 1.00 23.44 C ATOM 138 O SER A 9 25.477 -20.765 8.128 1.00 20.43 O ATOM 139 CB SER A 9 27.094 -17.740 8.967 1.00 61.21 C ATOM 140 OG SER A 9 26.240 -17.181 7.979 1.00 24.25 O ATOM 0 H SER A 9 27.300 -19.165 6.688 1.00 71.24 H new ATOM 0 HA SER A 9 27.914 -19.644 9.556 1.00 4.40 H new ATOM 0 HB2 SER A 9 26.695 -17.525 9.958 1.00 61.21 H new ATOM 0 HB3 SER A 9 28.075 -17.269 8.910 1.00 61.21 H new ATOM 0 HG SER A 9 25.889 -16.323 8.297 1.00 24.25 H new ATOM 146 N HIS A 10 25.160 -19.623 10.037 1.00 21.43 N ATOM 147 CA HIS A 10 23.806 -20.158 10.265 1.00 23.43 C ATOM 148 C HIS A 10 22.835 -19.036 10.661 1.00 3.01 C ATOM 149 O HIS A 10 22.642 -18.759 11.845 1.00 61.03 O ATOM 150 CB HIS A 10 23.821 -21.248 11.354 1.00 33.13 C ATOM 151 CG HIS A 10 24.696 -22.428 11.033 1.00 0.51 C ATOM 152 ND1 HIS A 10 25.900 -22.663 11.660 1.00 73.51 N ATOM 153 CD2 HIS A 10 24.530 -23.454 10.162 1.00 72.52 C ATOM 154 CE1 HIS A 10 26.432 -23.772 11.197 1.00 11.42 C ATOM 155 NE2 HIS A 10 25.625 -24.277 10.286 1.00 1.03 N ATOM 0 H HIS A 10 25.493 -18.998 10.771 1.00 21.43 H new ATOM 0 HA HIS A 10 23.464 -20.604 9.331 1.00 23.43 H new ATOM 0 HB2 HIS A 10 24.157 -20.805 12.291 1.00 33.13 H new ATOM 0 HB3 HIS A 10 22.802 -21.599 11.515 1.00 33.13 H new ATOM 0 HD2 HIS A 10 23.693 -23.598 9.495 1.00 72.52 H new ATOM 0 HE1 HIS A 10 27.373 -24.198 11.511 1.00 11.42 H new ATOM 0 HE2 HIS A 10 25.786 -25.136 9.760 1.00 1.03 H new ATOM 164 N GLU A 11 22.237 -18.381 9.667 1.00 53.22 N ATOM 165 CA GLU A 11 21.331 -17.250 9.914 1.00 41.53 C ATOM 166 C GLU A 11 19.925 -17.508 9.349 1.00 44.12 C ATOM 167 O GLU A 11 19.725 -18.390 8.514 1.00 51.43 O ATOM 168 CB GLU A 11 21.928 -15.966 9.322 1.00 63.35 C ATOM 169 CG GLU A 11 23.206 -15.516 10.027 1.00 32.24 C ATOM 170 CD GLU A 11 23.895 -14.358 9.328 1.00 33.45 C ATOM 171 OE1 GLU A 11 23.281 -13.275 9.210 1.00 61.11 O ATOM 172 OE2 GLU A 11 25.063 -14.521 8.906 1.00 72.25 O ATOM 0 H GLU A 11 22.361 -18.611 8.681 1.00 53.22 H new ATOM 0 HA GLU A 11 21.225 -17.132 10.992 1.00 41.53 H new ATOM 0 HB2 GLU A 11 22.141 -16.126 8.265 1.00 63.35 H new ATOM 0 HB3 GLU A 11 21.188 -15.168 9.381 1.00 63.35 H new ATOM 0 HG2 GLU A 11 22.966 -15.225 11.050 1.00 32.24 H new ATOM 0 HG3 GLU A 11 23.896 -16.358 10.089 1.00 32.24 H new ATOM 179 N HIS A 12 18.950 -16.722 9.809 1.00 52.33 N ATOM 180 CA HIS A 12 17.538 -16.947 9.464 1.00 44.15 C ATOM 181 C HIS A 12 17.027 -15.945 8.414 1.00 13.14 C ATOM 182 O HIS A 12 17.002 -14.738 8.657 1.00 74.44 O ATOM 183 CB HIS A 12 16.668 -16.855 10.730 1.00 52.54 C ATOM 184 CG HIS A 12 16.997 -17.886 11.770 1.00 31.31 C ATOM 185 ND1 HIS A 12 16.056 -18.727 12.322 1.00 20.14 N ATOM 186 CD2 HIS A 12 18.171 -18.203 12.369 1.00 5.00 C ATOM 187 CE1 HIS A 12 16.633 -19.510 13.210 1.00 12.52 C ATOM 188 NE2 HIS A 12 17.914 -19.215 13.258 1.00 52.12 N ATOM 0 H HIS A 12 19.109 -15.922 10.422 1.00 52.33 H new ATOM 0 HA HIS A 12 17.466 -17.945 9.031 1.00 44.15 H new ATOM 0 HB2 HIS A 12 16.783 -15.863 11.167 1.00 52.54 H new ATOM 0 HB3 HIS A 12 15.620 -16.959 10.448 1.00 52.54 H new ATOM 0 HD2 HIS A 12 19.130 -17.744 12.181 1.00 5.00 H new ATOM 0 HE1 HIS A 12 16.138 -20.267 13.800 1.00 12.52 H new ATOM 0 HE2 HIS A 12 18.604 -19.666 13.859 1.00 52.12 H new ATOM 197 N LYS A 13 16.635 -16.456 7.245 1.00 61.15 N ATOM 198 CA LYS A 13 15.958 -15.642 6.222 1.00 25.34 C ATOM 199 C LYS A 13 14.528 -16.156 5.988 1.00 43.44 C ATOM 200 O LYS A 13 14.327 -17.319 5.627 1.00 33.45 O ATOM 201 CB LYS A 13 16.742 -15.651 4.898 1.00 23.51 C ATOM 202 CG LYS A 13 18.142 -15.050 5.002 1.00 11.42 C ATOM 203 CD LYS A 13 18.782 -14.848 3.626 1.00 13.45 C ATOM 204 CE LYS A 13 18.886 -16.151 2.836 1.00 64.51 C ATOM 205 NZ LYS A 13 19.532 -15.953 1.509 1.00 21.13 N ATOM 0 H LYS A 13 16.773 -17.431 6.979 1.00 61.15 H new ATOM 0 HA LYS A 13 15.913 -14.616 6.587 1.00 25.34 H new ATOM 0 HB2 LYS A 13 16.824 -16.678 4.543 1.00 23.51 H new ATOM 0 HB3 LYS A 13 16.175 -15.099 4.148 1.00 23.51 H new ATOM 0 HG2 LYS A 13 18.088 -14.093 5.521 1.00 11.42 H new ATOM 0 HG3 LYS A 13 18.774 -15.704 5.603 1.00 11.42 H new ATOM 0 HD2 LYS A 13 18.195 -14.127 3.057 1.00 13.45 H new ATOM 0 HD3 LYS A 13 19.777 -14.421 3.750 1.00 13.45 H new ATOM 0 HE2 LYS A 13 19.458 -16.879 3.412 1.00 64.51 H new ATOM 0 HE3 LYS A 13 17.889 -16.569 2.694 1.00 64.51 H new ATOM 0 HZ1 LYS A 13 19.169 -16.659 0.837 1.00 21.13 H new ATOM 0 HZ2 LYS A 13 19.317 -14.998 1.157 1.00 21.13 H new ATOM 0 HZ3 LYS A 13 20.562 -16.064 1.604 1.00 21.13 H new ATOM 219 N ARG A 14 13.537 -15.293 6.190 1.00 52.23 N ATOM 220 CA ARG A 14 12.125 -15.687 6.097 1.00 11.02 C ATOM 221 C ARG A 14 11.438 -15.035 4.880 1.00 73.52 C ATOM 222 O ARG A 14 11.387 -13.808 4.773 1.00 30.44 O ATOM 223 CB ARG A 14 11.401 -15.280 7.392 1.00 33.13 C ATOM 224 CG ARG A 14 10.123 -16.060 7.689 1.00 44.44 C ATOM 225 CD ARG A 14 10.418 -17.527 7.992 1.00 22.55 C ATOM 226 NE ARG A 14 9.283 -18.201 8.614 1.00 20.43 N ATOM 227 CZ ARG A 14 9.337 -19.404 9.124 1.00 62.41 C ATOM 228 NH1 ARG A 14 10.418 -20.117 9.040 1.00 53.42 N ATOM 229 NH2 ARG A 14 8.298 -19.903 9.706 1.00 30.02 N ATOM 0 H ARG A 14 13.682 -14.310 6.421 1.00 52.23 H new ATOM 0 HA ARG A 14 12.074 -16.768 5.966 1.00 11.02 H new ATOM 0 HB2 ARG A 14 12.088 -15.405 8.229 1.00 33.13 H new ATOM 0 HB3 ARG A 14 11.157 -14.219 7.336 1.00 33.13 H new ATOM 0 HG2 ARG A 14 9.609 -15.609 8.538 1.00 44.44 H new ATOM 0 HG3 ARG A 14 9.448 -15.993 6.836 1.00 44.44 H new ATOM 0 HD2 ARG A 14 10.682 -18.041 7.068 1.00 22.55 H new ATOM 0 HD3 ARG A 14 11.283 -17.593 8.651 1.00 22.55 H new ATOM 0 HE ARG A 14 8.393 -17.704 8.653 1.00 20.43 H new ATOM 0 HH11 ARG A 14 11.242 -19.741 8.571 1.00 53.42 H new ATOM 0 HH12 ARG A 14 10.444 -21.054 9.443 1.00 53.42 H new ATOM 0 HH21 ARG A 14 7.437 -19.359 9.767 1.00 30.02 H new ATOM 0 HH22 ARG A 14 8.338 -20.841 10.104 1.00 30.02 H new ATOM 243 N ALA A 15 10.916 -15.856 3.970 1.00 13.00 N ATOM 244 CA ALA A 15 10.205 -15.358 2.786 1.00 55.30 C ATOM 245 C ALA A 15 8.916 -14.607 3.172 1.00 32.15 C ATOM 246 O ALA A 15 8.182 -15.040 4.066 1.00 54.53 O ATOM 247 CB ALA A 15 9.888 -16.515 1.845 1.00 34.05 C ATOM 0 H ALA A 15 10.971 -16.873 4.028 1.00 13.00 H new ATOM 0 HA ALA A 15 10.856 -14.648 2.275 1.00 55.30 H new ATOM 0 HB1 ALA A 15 9.360 -16.137 0.969 1.00 34.05 H new ATOM 0 HB2 ALA A 15 10.816 -16.994 1.532 1.00 34.05 H new ATOM 0 HB3 ALA A 15 9.261 -17.242 2.361 1.00 34.05 H new ATOM 253 N PRO A 16 8.611 -13.483 2.485 1.00 4.32 N ATOM 254 CA PRO A 16 7.468 -12.618 2.839 1.00 32.23 C ATOM 255 C PRO A 16 6.103 -13.297 2.629 1.00 43.04 C ATOM 256 O PRO A 16 5.915 -14.072 1.688 1.00 11.14 O ATOM 257 CB PRO A 16 7.635 -11.414 1.898 1.00 40.21 C ATOM 258 CG PRO A 16 8.405 -11.945 0.736 1.00 51.45 C ATOM 259 CD PRO A 16 9.338 -12.978 1.305 1.00 13.14 C ATOM 0 HA PRO A 16 7.472 -12.357 3.897 1.00 32.23 H new ATOM 0 HB2 PRO A 16 6.668 -11.019 1.585 1.00 40.21 H new ATOM 0 HB3 PRO A 16 8.169 -10.600 2.388 1.00 40.21 H new ATOM 0 HG2 PRO A 16 7.740 -12.385 -0.007 1.00 51.45 H new ATOM 0 HG3 PRO A 16 8.959 -11.150 0.237 1.00 51.45 H new ATOM 0 HD2 PRO A 16 9.542 -13.773 0.588 1.00 13.14 H new ATOM 0 HD3 PRO A 16 10.299 -12.543 1.581 1.00 13.14 H new ATOM 267 N MET A 17 5.157 -12.999 3.516 1.00 45.24 N ATOM 268 CA MET A 17 3.814 -13.586 3.458 1.00 30.14 C ATOM 269 C MET A 17 2.747 -12.598 3.957 1.00 0.32 C ATOM 270 O MET A 17 2.850 -12.076 5.070 1.00 14.34 O ATOM 271 CB MET A 17 3.780 -14.870 4.302 1.00 53.21 C ATOM 272 CG MET A 17 2.382 -15.419 4.551 1.00 52.04 C ATOM 273 SD MET A 17 1.448 -15.674 3.031 1.00 4.14 S ATOM 274 CE MET A 17 -0.106 -16.274 3.694 1.00 2.52 C ATOM 0 H MET A 17 5.294 -12.350 4.291 1.00 45.24 H new ATOM 0 HA MET A 17 3.587 -13.822 2.418 1.00 30.14 H new ATOM 0 HB2 MET A 17 4.374 -15.635 3.803 1.00 53.21 H new ATOM 0 HB3 MET A 17 4.256 -14.672 5.262 1.00 53.21 H new ATOM 0 HG2 MET A 17 2.459 -16.365 5.087 1.00 52.04 H new ATOM 0 HG3 MET A 17 1.836 -14.730 5.196 1.00 52.04 H new ATOM 0 HE1 MET A 17 -0.841 -16.344 2.892 1.00 2.52 H new ATOM 0 HE2 MET A 17 0.043 -17.259 4.136 1.00 2.52 H new ATOM 0 HE3 MET A 17 -0.466 -15.584 4.457 1.00 2.52 H new ATOM 284 N PHE A 18 1.729 -12.346 3.130 1.00 23.42 N ATOM 285 CA PHE A 18 0.599 -11.497 3.526 1.00 24.15 C ATOM 286 C PHE A 18 -0.341 -12.249 4.481 1.00 2.24 C ATOM 287 O PHE A 18 -1.110 -13.117 4.061 1.00 20.42 O ATOM 288 CB PHE A 18 -0.194 -11.030 2.292 1.00 54.24 C ATOM 289 CG PHE A 18 0.499 -9.973 1.467 1.00 0.31 C ATOM 290 CD1 PHE A 18 0.349 -8.629 1.781 1.00 43.44 C ATOM 291 CD2 PHE A 18 1.284 -10.319 0.377 1.00 33.44 C ATOM 292 CE1 PHE A 18 0.969 -7.655 1.023 1.00 21.13 C ATOM 293 CE2 PHE A 18 1.908 -9.346 -0.381 1.00 13.04 C ATOM 294 CZ PHE A 18 1.751 -8.012 -0.059 1.00 25.00 C ATOM 0 H PHE A 18 1.663 -12.717 2.182 1.00 23.42 H new ATOM 0 HA PHE A 18 1.006 -10.626 4.039 1.00 24.15 H new ATOM 0 HB2 PHE A 18 -0.397 -11.893 1.658 1.00 54.24 H new ATOM 0 HB3 PHE A 18 -1.158 -10.642 2.621 1.00 54.24 H new ATOM 0 HD1 PHE A 18 -0.259 -8.342 2.627 1.00 43.44 H new ATOM 0 HD2 PHE A 18 1.409 -11.360 0.118 1.00 33.44 H new ATOM 0 HE1 PHE A 18 0.842 -6.613 1.276 1.00 21.13 H new ATOM 0 HE2 PHE A 18 2.519 -9.629 -1.226 1.00 13.04 H new ATOM 0 HZ PHE A 18 2.238 -7.251 -0.651 1.00 25.00 H new ATOM 304 N ILE A 19 -0.276 -11.906 5.762 1.00 12.34 N ATOM 305 CA ILE A 19 -1.128 -12.530 6.779 1.00 72.41 C ATOM 306 C ILE A 19 -2.570 -12.009 6.682 1.00 4.14 C ATOM 307 O ILE A 19 -3.531 -12.752 6.886 1.00 35.35 O ATOM 308 CB ILE A 19 -0.588 -12.251 8.201 1.00 54.52 C ATOM 309 CG1 ILE A 19 0.919 -12.551 8.275 1.00 0.40 C ATOM 310 CG2 ILE A 19 -1.353 -13.082 9.231 1.00 40.45 C ATOM 311 CD1 ILE A 19 1.542 -12.189 9.608 1.00 14.22 C ATOM 0 H ILE A 19 0.359 -11.196 6.127 1.00 12.34 H new ATOM 0 HA ILE A 19 -1.119 -13.604 6.594 1.00 72.41 H new ATOM 0 HB ILE A 19 -0.737 -11.195 8.428 1.00 54.52 H new ATOM 0 HG12 ILE A 19 1.080 -13.612 8.084 1.00 0.40 H new ATOM 0 HG13 ILE A 19 1.430 -12.003 7.483 1.00 0.40 H new ATOM 0 HG21 ILE A 19 -0.962 -12.876 10.227 1.00 40.45 H new ATOM 0 HG22 ILE A 19 -2.411 -12.822 9.195 1.00 40.45 H new ATOM 0 HG23 ILE A 19 -1.232 -14.142 9.006 1.00 40.45 H new ATOM 0 HD11 ILE A 19 2.605 -12.427 9.589 1.00 14.22 H new ATOM 0 HD12 ILE A 19 1.412 -11.123 9.793 1.00 14.22 H new ATOM 0 HD13 ILE A 19 1.057 -12.756 10.402 1.00 14.22 H new ATOM 323 N TYR A 20 -2.707 -10.726 6.363 1.00 52.42 N ATOM 324 CA TYR A 20 -4.021 -10.097 6.190 1.00 62.11 C ATOM 325 C TYR A 20 -4.046 -9.284 4.893 1.00 75.42 C ATOM 326 O TYR A 20 -3.143 -8.484 4.643 1.00 43.41 O ATOM 327 CB TYR A 20 -4.346 -9.162 7.367 1.00 41.11 C ATOM 328 CG TYR A 20 -4.259 -9.812 8.735 1.00 13.05 C ATOM 329 CD1 TYR A 20 -5.311 -10.569 9.244 1.00 54.12 C ATOM 330 CD2 TYR A 20 -3.126 -9.658 9.520 1.00 60.31 C ATOM 331 CE1 TYR A 20 -5.229 -11.150 10.495 1.00 53.11 C ATOM 332 CE2 TYR A 20 -3.037 -10.236 10.770 1.00 23.43 C ATOM 333 CZ TYR A 20 -4.089 -10.980 11.253 1.00 75.01 C ATOM 334 OH TYR A 20 -4.004 -11.553 12.501 1.00 24.43 O ATOM 0 H TYR A 20 -1.920 -10.093 6.217 1.00 52.42 H new ATOM 0 HA TYR A 20 -4.767 -10.890 6.150 1.00 62.11 H new ATOM 0 HB2 TYR A 20 -3.663 -8.313 7.339 1.00 41.11 H new ATOM 0 HB3 TYR A 20 -5.352 -8.766 7.231 1.00 41.11 H new ATOM 0 HD1 TYR A 20 -6.204 -10.704 8.652 1.00 54.12 H new ATOM 0 HD2 TYR A 20 -2.298 -9.075 9.146 1.00 60.31 H new ATOM 0 HE1 TYR A 20 -6.053 -11.734 10.877 1.00 53.11 H new ATOM 0 HE2 TYR A 20 -2.146 -10.105 11.366 1.00 23.43 H new ATOM 0 HH TYR A 20 -3.136 -11.338 12.901 1.00 24.43 H new ATOM 344 N LYS A 21 -5.068 -9.490 4.068 1.00 20.41 N ATOM 345 CA LYS A 21 -5.222 -8.712 2.836 1.00 23.13 C ATOM 346 C LYS A 21 -5.751 -7.296 3.144 1.00 30.14 C ATOM 347 O LYS A 21 -6.626 -7.123 3.998 1.00 72.21 O ATOM 348 CB LYS A 21 -6.140 -9.444 1.845 1.00 2.33 C ATOM 349 CG LYS A 21 -7.522 -9.786 2.395 1.00 64.23 C ATOM 350 CD LYS A 21 -8.307 -10.656 1.418 1.00 24.11 C ATOM 351 CE LYS A 21 -9.668 -11.050 1.973 1.00 10.32 C ATOM 352 NZ LYS A 21 -10.386 -11.974 1.059 1.00 21.14 N ATOM 0 H LYS A 21 -5.799 -10.184 4.225 1.00 20.41 H new ATOM 0 HA LYS A 21 -4.241 -8.607 2.372 1.00 23.13 H new ATOM 0 HB2 LYS A 21 -6.260 -8.825 0.956 1.00 2.33 H new ATOM 0 HB3 LYS A 21 -5.651 -10.365 1.529 1.00 2.33 H new ATOM 0 HG2 LYS A 21 -7.418 -10.307 3.347 1.00 64.23 H new ATOM 0 HG3 LYS A 21 -8.075 -8.868 2.593 1.00 64.23 H new ATOM 0 HD2 LYS A 21 -8.440 -10.118 0.479 1.00 24.11 H new ATOM 0 HD3 LYS A 21 -7.734 -11.555 1.192 1.00 24.11 H new ATOM 0 HE2 LYS A 21 -9.541 -11.526 2.945 1.00 10.32 H new ATOM 0 HE3 LYS A 21 -10.269 -10.155 2.132 1.00 10.32 H new ATOM 0 HZ1 LYS A 21 -11.309 -12.221 1.470 1.00 21.14 H new ATOM 0 HZ2 LYS A 21 -10.529 -11.511 0.139 1.00 21.14 H new ATOM 0 HZ3 LYS A 21 -9.823 -12.839 0.927 1.00 21.14 H new ATOM 366 N PRO A 22 -5.220 -6.265 2.454 1.00 51.44 N ATOM 367 CA PRO A 22 -5.554 -4.851 2.732 1.00 74.03 C ATOM 368 C PRO A 22 -7.051 -4.524 2.577 1.00 44.42 C ATOM 369 O PRO A 22 -7.803 -5.249 1.920 1.00 24.11 O ATOM 370 CB PRO A 22 -4.716 -4.072 1.701 1.00 11.20 C ATOM 371 CG PRO A 22 -4.391 -5.071 0.638 1.00 21.54 C ATOM 372 CD PRO A 22 -4.257 -6.388 1.345 1.00 71.33 C ATOM 0 HA PRO A 22 -5.335 -4.594 3.768 1.00 74.03 H new ATOM 0 HB2 PRO A 22 -5.274 -3.229 1.294 1.00 11.20 H new ATOM 0 HB3 PRO A 22 -3.811 -3.667 2.153 1.00 11.20 H new ATOM 0 HG2 PRO A 22 -5.177 -5.110 -0.116 1.00 21.54 H new ATOM 0 HG3 PRO A 22 -3.467 -4.808 0.123 1.00 21.54 H new ATOM 0 HD2 PRO A 22 -4.500 -7.225 0.690 1.00 71.33 H new ATOM 0 HD3 PRO A 22 -3.242 -6.551 1.707 1.00 71.33 H new ATOM 380 N GLN A 23 -7.473 -3.414 3.187 1.00 42.42 N ATOM 381 CA GLN A 23 -8.881 -2.996 3.172 1.00 72.34 C ATOM 382 C GLN A 23 -9.181 -2.040 2.004 1.00 34.13 C ATOM 383 O GLN A 23 -8.340 -1.227 1.623 1.00 21.24 O ATOM 384 CB GLN A 23 -9.242 -2.307 4.500 1.00 15.23 C ATOM 385 CG GLN A 23 -8.465 -1.012 4.764 1.00 4.31 C ATOM 386 CD GLN A 23 -8.974 -0.249 5.979 1.00 70.11 C ATOM 387 OE1 GLN A 23 -10.150 -0.316 6.322 1.00 32.22 O ATOM 388 NE2 GLN A 23 -8.103 0.504 6.622 1.00 13.21 N ATOM 0 H GLN A 23 -6.857 -2.784 3.701 1.00 42.42 H new ATOM 0 HA GLN A 23 -9.486 -3.893 3.041 1.00 72.34 H new ATOM 0 HB2 GLN A 23 -10.309 -2.085 4.504 1.00 15.23 H new ATOM 0 HB3 GLN A 23 -9.058 -3.002 5.319 1.00 15.23 H new ATOM 0 HG2 GLN A 23 -7.411 -1.250 4.907 1.00 4.31 H new ATOM 0 HG3 GLN A 23 -8.530 -0.370 3.885 1.00 4.31 H new ATOM 0 HE21 GLN A 23 -7.132 0.538 6.312 1.00 13.21 H new ATOM 0 HE22 GLN A 23 -8.400 1.052 7.429 1.00 13.21 H new ATOM 397 N SER A 24 -10.384 -2.141 1.441 1.00 62.43 N ATOM 398 CA SER A 24 -10.823 -1.220 0.383 1.00 72.11 C ATOM 399 C SER A 24 -11.847 -0.213 0.933 1.00 73.11 C ATOM 400 O SER A 24 -12.886 -0.596 1.476 1.00 74.54 O ATOM 401 CB SER A 24 -11.422 -1.995 -0.802 1.00 11.45 C ATOM 402 OG SER A 24 -12.672 -2.577 -0.474 1.00 15.02 O ATOM 0 H SER A 24 -11.074 -2.848 1.696 1.00 62.43 H new ATOM 0 HA SER A 24 -9.950 -0.671 0.029 1.00 72.11 H new ATOM 0 HB2 SER A 24 -11.546 -1.322 -1.651 1.00 11.45 H new ATOM 0 HB3 SER A 24 -10.728 -2.776 -1.113 1.00 11.45 H new ATOM 0 HG SER A 24 -13.045 -2.129 0.314 1.00 15.02 H new ATOM 408 N LYS A 25 -11.545 1.077 0.798 1.00 3.13 N ATOM 409 CA LYS A 25 -12.385 2.141 1.372 1.00 62.01 C ATOM 410 C LYS A 25 -12.752 3.214 0.335 1.00 12.25 C ATOM 411 O LYS A 25 -12.070 3.381 -0.676 1.00 74.52 O ATOM 412 CB LYS A 25 -11.656 2.802 2.558 1.00 60.12 C ATOM 413 CG LYS A 25 -11.682 1.982 3.850 1.00 1.01 C ATOM 414 CD LYS A 25 -13.086 1.933 4.459 1.00 62.24 C ATOM 415 CE LYS A 25 -13.108 1.219 5.806 1.00 41.33 C ATOM 416 NZ LYS A 25 -12.706 -0.206 5.691 1.00 12.45 N ATOM 0 H LYS A 25 -10.725 1.417 0.296 1.00 3.13 H new ATOM 0 HA LYS A 25 -13.311 1.676 1.711 1.00 62.01 H new ATOM 0 HB2 LYS A 25 -10.618 2.982 2.277 1.00 60.12 H new ATOM 0 HB3 LYS A 25 -12.108 3.775 2.750 1.00 60.12 H new ATOM 0 HG2 LYS A 25 -11.338 0.968 3.645 1.00 1.01 H new ATOM 0 HG3 LYS A 25 -10.987 2.415 4.570 1.00 1.01 H new ATOM 0 HD2 LYS A 25 -13.462 2.949 4.583 1.00 62.24 H new ATOM 0 HD3 LYS A 25 -13.761 1.425 3.770 1.00 62.24 H new ATOM 0 HE2 LYS A 25 -12.437 1.730 6.497 1.00 41.33 H new ATOM 0 HE3 LYS A 25 -14.110 1.279 6.231 1.00 41.33 H new ATOM 0 HZ1 LYS A 25 -13.434 -0.808 6.127 1.00 12.45 H new ATOM 0 HZ2 LYS A 25 -12.604 -0.458 4.687 1.00 12.45 H new ATOM 0 HZ3 LYS A 25 -11.799 -0.351 6.179 1.00 12.45 H new ATOM 430 N LYS A 26 -13.842 3.940 0.603 1.00 43.41 N ATOM 431 CA LYS A 26 -14.242 5.085 -0.226 1.00 42.44 C ATOM 432 C LYS A 26 -14.298 6.377 0.611 1.00 53.44 C ATOM 433 O LYS A 26 -15.060 6.482 1.572 1.00 14.03 O ATOM 434 CB LYS A 26 -15.595 4.822 -0.919 1.00 45.01 C ATOM 435 CG LYS A 26 -16.761 4.562 0.035 1.00 40.34 C ATOM 436 CD LYS A 26 -18.070 4.322 -0.715 1.00 73.33 C ATOM 437 CE LYS A 26 -18.477 5.526 -1.558 1.00 32.52 C ATOM 438 NZ LYS A 26 -19.767 5.310 -2.266 1.00 3.20 N ATOM 0 H LYS A 26 -14.465 3.756 1.389 1.00 43.41 H new ATOM 0 HA LYS A 26 -13.487 5.216 -1.001 1.00 42.44 H new ATOM 0 HB2 LYS A 26 -15.840 5.680 -1.545 1.00 45.01 H new ATOM 0 HB3 LYS A 26 -15.487 3.964 -1.582 1.00 45.01 H new ATOM 0 HG2 LYS A 26 -16.535 3.696 0.656 1.00 40.34 H new ATOM 0 HG3 LYS A 26 -16.878 5.413 0.705 1.00 40.34 H new ATOM 0 HD2 LYS A 26 -17.964 3.449 -1.359 1.00 73.33 H new ATOM 0 HD3 LYS A 26 -18.861 4.097 0.000 1.00 73.33 H new ATOM 0 HE2 LYS A 26 -18.559 6.404 -0.917 1.00 32.52 H new ATOM 0 HE3 LYS A 26 -17.695 5.736 -2.288 1.00 32.52 H new ATOM 0 HZ1 LYS A 26 -20.002 6.155 -2.825 1.00 3.20 H new ATOM 0 HZ2 LYS A 26 -19.683 4.489 -2.898 1.00 3.20 H new ATOM 0 HZ3 LYS A 26 -20.520 5.135 -1.570 1.00 3.20 H new ATOM 452 N VAL A 27 -13.481 7.359 0.241 1.00 4.33 N ATOM 453 CA VAL A 27 -13.399 8.633 0.978 1.00 74.32 C ATOM 454 C VAL A 27 -13.924 9.806 0.135 1.00 43.12 C ATOM 455 O VAL A 27 -14.266 9.632 -1.031 1.00 54.24 O ATOM 456 CB VAL A 27 -11.943 8.932 1.421 1.00 24.55 C ATOM 457 CG1 VAL A 27 -11.442 7.865 2.396 1.00 73.23 C ATOM 458 CG2 VAL A 27 -11.021 9.031 0.206 1.00 13.42 C ATOM 0 H VAL A 27 -12.861 7.304 -0.567 1.00 4.33 H new ATOM 0 HA VAL A 27 -14.027 8.527 1.863 1.00 74.32 H new ATOM 0 HB VAL A 27 -11.934 9.892 1.937 1.00 24.55 H new ATOM 0 HG11 VAL A 27 -10.419 8.095 2.693 1.00 73.23 H new ATOM 0 HG12 VAL A 27 -12.081 7.850 3.279 1.00 73.23 H new ATOM 0 HG13 VAL A 27 -11.468 6.889 1.912 1.00 73.23 H new ATOM 0 HG21 VAL A 27 -10.004 9.241 0.537 1.00 13.42 H new ATOM 0 HG22 VAL A 27 -11.037 8.088 -0.341 1.00 13.42 H new ATOM 0 HG23 VAL A 27 -11.364 9.834 -0.446 1.00 13.42 H new ATOM 468 N LEU A 28 -13.996 10.997 0.732 1.00 72.42 N ATOM 469 CA LEU A 28 -14.468 12.196 0.020 1.00 21.35 C ATOM 470 C LEU A 28 -13.311 12.988 -0.617 1.00 4.14 C ATOM 471 O LEU A 28 -12.148 12.845 -0.233 1.00 22.42 O ATOM 472 CB LEU A 28 -15.264 13.114 0.965 1.00 21.23 C ATOM 473 CG LEU A 28 -16.617 12.558 1.441 1.00 61.24 C ATOM 474 CD1 LEU A 28 -17.302 13.533 2.394 1.00 31.03 C ATOM 475 CD2 LEU A 28 -17.520 12.253 0.249 1.00 14.22 C ATOM 0 H LEU A 28 -13.735 11.162 1.704 1.00 72.42 H new ATOM 0 HA LEU A 28 -15.119 11.848 -0.782 1.00 21.35 H new ATOM 0 HB2 LEU A 28 -14.650 13.327 1.840 1.00 21.23 H new ATOM 0 HB3 LEU A 28 -15.438 14.064 0.460 1.00 21.23 H new ATOM 0 HG LEU A 28 -16.430 11.630 1.981 1.00 61.24 H new ATOM 0 HD11 LEU A 28 -18.257 13.117 2.716 1.00 31.03 H new ATOM 0 HD12 LEU A 28 -16.666 13.699 3.264 1.00 31.03 H new ATOM 0 HD13 LEU A 28 -17.473 14.481 1.884 1.00 31.03 H new ATOM 0 HD21 LEU A 28 -18.473 11.861 0.605 1.00 14.22 H new ATOM 0 HD22 LEU A 28 -17.694 13.167 -0.319 1.00 14.22 H new ATOM 0 HD23 LEU A 28 -17.040 11.513 -0.392 1.00 14.22 H new ATOM 487 N GLU A 29 -13.657 13.824 -1.596 1.00 64.14 N ATOM 488 CA GLU A 29 -12.682 14.674 -2.296 1.00 44.32 C ATOM 489 C GLU A 29 -11.901 15.592 -1.332 1.00 34.42 C ATOM 490 O GLU A 29 -12.433 16.588 -0.835 1.00 51.31 O ATOM 491 CB GLU A 29 -13.400 15.537 -3.348 1.00 62.24 C ATOM 492 CG GLU A 29 -13.979 14.759 -4.519 1.00 32.14 C ATOM 493 CD GLU A 29 -14.670 15.669 -5.522 1.00 64.03 C ATOM 494 OE1 GLU A 29 -15.770 16.179 -5.212 1.00 41.02 O ATOM 495 OE2 GLU A 29 -14.116 15.881 -6.622 1.00 2.53 O ATOM 0 H GLU A 29 -14.615 13.934 -1.928 1.00 64.14 H new ATOM 0 HA GLU A 29 -11.964 14.009 -2.776 1.00 44.32 H new ATOM 0 HB2 GLU A 29 -14.205 16.086 -2.860 1.00 62.24 H new ATOM 0 HB3 GLU A 29 -12.698 16.277 -3.732 1.00 62.24 H new ATOM 0 HG2 GLU A 29 -13.182 14.209 -5.018 1.00 32.14 H new ATOM 0 HG3 GLU A 29 -14.691 14.022 -4.148 1.00 32.14 H new ATOM 502 N GLY A 30 -10.638 15.256 -1.082 1.00 72.14 N ATOM 503 CA GLY A 30 -9.777 16.093 -0.245 1.00 61.12 C ATOM 504 C GLY A 30 -9.387 15.435 1.077 1.00 22.11 C ATOM 505 O GLY A 30 -8.539 15.954 1.808 1.00 50.10 O ATOM 0 H GLY A 30 -10.188 14.415 -1.444 1.00 72.14 H new ATOM 0 HA2 GLY A 30 -8.872 16.339 -0.800 1.00 61.12 H new ATOM 0 HA3 GLY A 30 -10.288 17.033 -0.037 1.00 61.12 H new ATOM 509 N ASP A 31 -10.009 14.302 1.390 1.00 14.33 N ATOM 510 CA ASP A 31 -9.722 13.572 2.631 1.00 71.32 C ATOM 511 C ASP A 31 -8.474 12.678 2.514 1.00 62.14 C ATOM 512 O ASP A 31 -7.778 12.675 1.495 1.00 5.02 O ATOM 513 CB ASP A 31 -10.938 12.727 3.031 1.00 64.23 C ATOM 514 CG ASP A 31 -12.099 13.584 3.504 1.00 65.22 C ATOM 515 OD1 ASP A 31 -12.673 14.324 2.681 1.00 75.24 O ATOM 516 OD2 ASP A 31 -12.435 13.522 4.708 1.00 73.41 O ATOM 0 H ASP A 31 -10.718 13.864 0.802 1.00 14.33 H new ATOM 0 HA ASP A 31 -9.514 14.313 3.403 1.00 71.32 H new ATOM 0 HB2 ASP A 31 -11.256 12.125 2.180 1.00 64.23 H new ATOM 0 HB3 ASP A 31 -10.653 12.035 3.823 1.00 64.23 H new ATOM 521 N SER A 32 -8.190 11.927 3.581 1.00 1.51 N ATOM 522 CA SER A 32 -7.040 11.014 3.613 1.00 34.44 C ATOM 523 C SER A 32 -7.457 9.594 4.020 1.00 2.11 C ATOM 524 O SER A 32 -8.360 9.406 4.836 1.00 52.22 O ATOM 525 CB SER A 32 -5.970 11.529 4.586 1.00 35.41 C ATOM 526 OG SER A 32 -6.469 11.612 5.913 1.00 45.03 O ATOM 0 H SER A 32 -8.742 11.932 4.439 1.00 1.51 H new ATOM 0 HA SER A 32 -6.629 10.977 2.604 1.00 34.44 H new ATOM 0 HB2 SER A 32 -5.106 10.865 4.562 1.00 35.41 H new ATOM 0 HB3 SER A 32 -5.626 12.512 4.263 1.00 35.41 H new ATOM 0 HG SER A 32 -5.763 11.941 6.508 1.00 45.03 H new ATOM 532 N VAL A 33 -6.777 8.597 3.458 1.00 62.23 N ATOM 533 CA VAL A 33 -7.070 7.186 3.742 1.00 14.41 C ATOM 534 C VAL A 33 -5.782 6.412 4.076 1.00 24.53 C ATOM 535 O VAL A 33 -4.692 6.791 3.640 1.00 62.24 O ATOM 536 CB VAL A 33 -7.776 6.513 2.533 1.00 52.12 C ATOM 537 CG1 VAL A 33 -6.844 6.468 1.320 1.00 33.21 C ATOM 538 CG2 VAL A 33 -8.281 5.112 2.897 1.00 73.12 C ATOM 0 H VAL A 33 -6.013 8.738 2.798 1.00 62.23 H new ATOM 0 HA VAL A 33 -7.735 7.158 4.605 1.00 14.41 H new ATOM 0 HB VAL A 33 -8.645 7.116 2.269 1.00 52.12 H new ATOM 0 HG11 VAL A 33 -7.357 5.993 0.484 1.00 33.21 H new ATOM 0 HG12 VAL A 33 -6.560 7.483 1.042 1.00 33.21 H new ATOM 0 HG13 VAL A 33 -5.950 5.896 1.569 1.00 33.21 H new ATOM 0 HG21 VAL A 33 -8.771 4.665 2.032 1.00 73.12 H new ATOM 0 HG22 VAL A 33 -7.439 4.489 3.199 1.00 73.12 H new ATOM 0 HG23 VAL A 33 -8.993 5.184 3.719 1.00 73.12 H new ATOM 548 N LYS A 34 -5.904 5.333 4.847 1.00 41.41 N ATOM 549 CA LYS A 34 -4.745 4.504 5.196 1.00 24.41 C ATOM 550 C LYS A 34 -4.999 3.016 4.875 1.00 10.33 C ATOM 551 O LYS A 34 -5.902 2.381 5.426 1.00 55.12 O ATOM 552 CB LYS A 34 -4.377 4.720 6.677 1.00 62.42 C ATOM 553 CG LYS A 34 -5.511 4.447 7.667 1.00 64.11 C ATOM 554 CD LYS A 34 -5.219 5.047 9.043 1.00 31.21 C ATOM 555 CE LYS A 34 -3.930 4.505 9.660 1.00 31.31 C ATOM 556 NZ LYS A 34 -4.072 3.105 10.135 1.00 74.11 N ATOM 0 H LYS A 34 -6.788 5.011 5.242 1.00 41.41 H new ATOM 0 HA LYS A 34 -3.896 4.811 4.585 1.00 24.41 H new ATOM 0 HB2 LYS A 34 -3.534 4.075 6.925 1.00 62.42 H new ATOM 0 HB3 LYS A 34 -4.040 5.749 6.807 1.00 62.42 H new ATOM 0 HG2 LYS A 34 -6.441 4.863 7.279 1.00 64.11 H new ATOM 0 HG3 LYS A 34 -5.659 3.371 7.763 1.00 64.11 H new ATOM 0 HD2 LYS A 34 -5.147 6.131 8.955 1.00 31.21 H new ATOM 0 HD3 LYS A 34 -6.054 4.836 9.711 1.00 31.21 H new ATOM 0 HE2 LYS A 34 -3.129 4.556 8.923 1.00 31.31 H new ATOM 0 HE3 LYS A 34 -3.635 5.141 10.495 1.00 31.31 H new ATOM 0 HZ1 LYS A 34 -3.213 2.824 10.650 1.00 74.11 H new ATOM 0 HZ2 LYS A 34 -4.894 3.035 10.769 1.00 74.11 H new ATOM 0 HZ3 LYS A 34 -4.209 2.474 9.320 1.00 74.11 H new ATOM 570 N LEU A 35 -4.190 2.474 3.963 1.00 34.42 N ATOM 571 CA LEU A 35 -4.299 1.072 3.533 1.00 3.42 C ATOM 572 C LEU A 35 -3.158 0.244 4.140 1.00 2.31 C ATOM 573 O LEU A 35 -1.990 0.479 3.838 1.00 4.01 O ATOM 574 CB LEU A 35 -4.250 0.992 1.997 1.00 51.52 C ATOM 575 CG LEU A 35 -5.268 1.882 1.258 1.00 74.51 C ATOM 576 CD1 LEU A 35 -5.088 1.774 -0.258 1.00 51.22 C ATOM 577 CD2 LEU A 35 -6.697 1.522 1.664 1.00 31.45 C ATOM 0 H LEU A 35 -3.441 2.990 3.501 1.00 34.42 H new ATOM 0 HA LEU A 35 -5.249 0.667 3.880 1.00 3.42 H new ATOM 0 HB2 LEU A 35 -3.247 1.265 1.667 1.00 51.52 H new ATOM 0 HB3 LEU A 35 -4.413 -0.043 1.698 1.00 51.52 H new ATOM 0 HG LEU A 35 -5.084 2.917 1.545 1.00 74.51 H new ATOM 0 HD11 LEU A 35 -5.818 2.411 -0.757 1.00 51.22 H new ATOM 0 HD12 LEU A 35 -4.082 2.094 -0.529 1.00 51.22 H new ATOM 0 HD13 LEU A 35 -5.236 0.740 -0.569 1.00 51.22 H new ATOM 0 HD21 LEU A 35 -7.399 2.163 1.130 1.00 31.45 H new ATOM 0 HD22 LEU A 35 -6.895 0.480 1.414 1.00 31.45 H new ATOM 0 HD23 LEU A 35 -6.818 1.667 2.738 1.00 31.45 H new ATOM 589 N GLU A 36 -3.489 -0.724 4.990 1.00 62.31 N ATOM 590 CA GLU A 36 -2.466 -1.446 5.758 1.00 51.14 C ATOM 591 C GLU A 36 -2.634 -2.976 5.702 1.00 13.24 C ATOM 592 O GLU A 36 -3.732 -3.493 5.474 1.00 62.44 O ATOM 593 CB GLU A 36 -2.495 -0.960 7.210 1.00 73.25 C ATOM 594 CG GLU A 36 -3.849 -1.137 7.889 1.00 44.52 C ATOM 595 CD GLU A 36 -3.942 -0.384 9.203 1.00 72.24 C ATOM 596 OE1 GLU A 36 -3.459 -0.901 10.231 1.00 31.23 O ATOM 597 OE2 GLU A 36 -4.493 0.735 9.213 1.00 61.23 O ATOM 0 H GLU A 36 -4.446 -1.028 5.167 1.00 62.31 H new ATOM 0 HA GLU A 36 -1.500 -1.230 5.302 1.00 51.14 H new ATOM 0 HB2 GLU A 36 -1.739 -1.501 7.780 1.00 73.25 H new ATOM 0 HB3 GLU A 36 -2.220 0.094 7.236 1.00 73.25 H new ATOM 0 HG2 GLU A 36 -4.636 -0.791 7.219 1.00 44.52 H new ATOM 0 HG3 GLU A 36 -4.026 -2.197 8.068 1.00 44.52 H new ATOM 604 N CYS A 37 -1.521 -3.684 5.899 1.00 65.15 N ATOM 605 CA CYS A 37 -1.501 -5.155 5.927 1.00 64.34 C ATOM 606 C CYS A 37 -0.306 -5.680 6.744 1.00 2.31 C ATOM 607 O CYS A 37 0.640 -4.942 7.027 1.00 42.53 O ATOM 608 CB CYS A 37 -1.437 -5.719 4.500 1.00 74.41 C ATOM 609 SG CYS A 37 0.021 -5.203 3.560 1.00 61.44 S ATOM 0 H CYS A 37 -0.606 -3.258 6.044 1.00 65.15 H new ATOM 0 HA CYS A 37 -2.422 -5.489 6.405 1.00 64.34 H new ATOM 0 HB2 CYS A 37 -1.455 -6.808 4.551 1.00 74.41 H new ATOM 0 HB3 CYS A 37 -2.332 -5.410 3.959 1.00 74.41 H new ATOM 0 HG CYS A 37 -0.273 -5.157 2.294 1.00 61.44 H new ATOM 615 N GLN A 38 -0.349 -6.961 7.120 1.00 62.15 N ATOM 616 CA GLN A 38 0.749 -7.584 7.875 1.00 4.30 C ATOM 617 C GLN A 38 1.533 -8.578 7.006 1.00 2.23 C ATOM 618 O GLN A 38 0.955 -9.491 6.413 1.00 41.33 O ATOM 619 CB GLN A 38 0.208 -8.322 9.110 1.00 44.13 C ATOM 620 CG GLN A 38 -0.489 -7.424 10.129 1.00 0.34 C ATOM 621 CD GLN A 38 0.441 -6.424 10.805 1.00 35.02 C ATOM 622 OE1 GLN A 38 0.029 -5.328 11.161 1.00 63.54 O ATOM 623 NE2 GLN A 38 1.686 -6.800 11.023 1.00 72.41 N ATOM 0 H GLN A 38 -1.128 -7.587 6.916 1.00 62.15 H new ATOM 0 HA GLN A 38 1.418 -6.783 8.189 1.00 4.30 H new ATOM 0 HB2 GLN A 38 -0.493 -9.089 8.781 1.00 44.13 H new ATOM 0 HB3 GLN A 38 1.034 -8.835 9.602 1.00 44.13 H new ATOM 0 HG2 GLN A 38 -1.292 -6.880 9.631 1.00 0.34 H new ATOM 0 HG3 GLN A 38 -0.953 -8.048 10.893 1.00 0.34 H new ATOM 0 HE21 GLN A 38 2.002 -7.720 10.715 1.00 72.41 H new ATOM 0 HE22 GLN A 38 2.333 -6.171 11.499 1.00 72.41 H new ATOM 632 N ILE A 39 2.850 -8.396 6.943 1.00 71.22 N ATOM 633 CA ILE A 39 3.736 -9.300 6.201 1.00 1.11 C ATOM 634 C ILE A 39 4.820 -9.887 7.121 1.00 11.02 C ATOM 635 O ILE A 39 5.507 -9.153 7.831 1.00 25.15 O ATOM 636 CB ILE A 39 4.429 -8.569 5.019 1.00 1.41 C ATOM 637 CG1 ILE A 39 3.386 -7.975 4.060 1.00 3.11 C ATOM 638 CG2 ILE A 39 5.370 -9.516 4.272 1.00 2.34 C ATOM 639 CD1 ILE A 39 3.989 -7.218 2.894 1.00 32.12 C ATOM 0 H ILE A 39 3.334 -7.624 7.401 1.00 71.22 H new ATOM 0 HA ILE A 39 3.112 -10.104 5.810 1.00 1.11 H new ATOM 0 HB ILE A 39 5.022 -7.751 5.428 1.00 1.41 H new ATOM 0 HG12 ILE A 39 2.761 -8.780 3.674 1.00 3.11 H new ATOM 0 HG13 ILE A 39 2.733 -7.304 4.618 1.00 3.11 H new ATOM 0 HG21 ILE A 39 5.844 -8.983 3.448 1.00 2.34 H new ATOM 0 HG22 ILE A 39 6.136 -9.882 4.956 1.00 2.34 H new ATOM 0 HG23 ILE A 39 4.801 -10.359 3.879 1.00 2.34 H new ATOM 0 HD11 ILE A 39 3.191 -6.828 2.262 1.00 32.12 H new ATOM 0 HD12 ILE A 39 4.591 -6.391 3.270 1.00 32.12 H new ATOM 0 HD13 ILE A 39 4.619 -7.890 2.311 1.00 32.12 H new ATOM 651 N SER A 40 4.968 -11.209 7.114 1.00 3.23 N ATOM 652 CA SER A 40 6.053 -11.854 7.869 1.00 2.22 C ATOM 653 C SER A 40 7.266 -12.102 6.963 1.00 44.32 C ATOM 654 O SER A 40 7.273 -13.040 6.165 1.00 74.22 O ATOM 655 CB SER A 40 5.581 -13.181 8.477 1.00 10.31 C ATOM 656 OG SER A 40 6.634 -13.837 9.176 1.00 34.20 O ATOM 0 H SER A 40 4.363 -11.852 6.604 1.00 3.23 H new ATOM 0 HA SER A 40 6.344 -11.182 8.677 1.00 2.22 H new ATOM 0 HB2 SER A 40 4.751 -12.996 9.158 1.00 10.31 H new ATOM 0 HB3 SER A 40 5.206 -13.832 7.687 1.00 10.31 H new ATOM 0 HG SER A 40 6.302 -14.678 9.553 1.00 34.20 H new ATOM 662 N ALA A 41 8.268 -11.231 7.062 1.00 5.54 N ATOM 663 CA ALA A 41 9.506 -11.367 6.285 1.00 62.30 C ATOM 664 C ALA A 41 10.756 -11.127 7.145 1.00 62.34 C ATOM 665 O ALA A 41 10.735 -10.317 8.070 1.00 30.13 O ATOM 666 CB ALA A 41 9.494 -10.407 5.104 1.00 54.23 C ATOM 0 H ALA A 41 8.249 -10.417 7.676 1.00 5.54 H new ATOM 0 HA ALA A 41 9.550 -12.393 5.920 1.00 62.30 H new ATOM 0 HB1 ALA A 41 10.418 -10.518 4.536 1.00 54.23 H new ATOM 0 HB2 ALA A 41 8.643 -10.632 4.461 1.00 54.23 H new ATOM 0 HB3 ALA A 41 9.413 -9.383 5.468 1.00 54.23 H new ATOM 672 N ILE A 42 11.849 -11.815 6.815 1.00 61.32 N ATOM 673 CA ILE A 42 13.151 -11.589 7.465 1.00 72.11 C ATOM 674 C ILE A 42 14.293 -11.698 6.433 1.00 43.31 C ATOM 675 O ILE A 42 14.551 -12.779 5.908 1.00 42.04 O ATOM 676 CB ILE A 42 13.417 -12.602 8.617 1.00 30.20 C ATOM 677 CG1 ILE A 42 12.339 -12.485 9.712 1.00 72.52 C ATOM 678 CG2 ILE A 42 14.810 -12.387 9.214 1.00 34.23 C ATOM 679 CD1 ILE A 42 12.508 -13.470 10.855 1.00 34.44 C ATOM 0 H ILE A 42 11.863 -12.539 6.097 1.00 61.32 H new ATOM 0 HA ILE A 42 13.120 -10.586 7.890 1.00 72.11 H new ATOM 0 HB ILE A 42 13.371 -13.608 8.199 1.00 30.20 H new ATOM 0 HG12 ILE A 42 12.353 -11.472 10.114 1.00 72.52 H new ATOM 0 HG13 ILE A 42 11.359 -12.635 9.259 1.00 72.52 H new ATOM 0 HG21 ILE A 42 14.976 -13.105 10.017 1.00 34.23 H new ATOM 0 HG22 ILE A 42 15.564 -12.528 8.439 1.00 34.23 H new ATOM 0 HG23 ILE A 42 14.883 -11.375 9.611 1.00 34.23 H new ATOM 0 HD11 ILE A 42 11.710 -13.323 11.583 1.00 34.44 H new ATOM 0 HD12 ILE A 42 12.463 -14.488 10.468 1.00 34.44 H new ATOM 0 HD13 ILE A 42 13.473 -13.307 11.336 1.00 34.44 H new ATOM 691 N PRO A 43 14.986 -10.589 6.099 1.00 52.23 N ATOM 692 CA PRO A 43 14.716 -9.239 6.635 1.00 41.11 C ATOM 693 C PRO A 43 13.511 -8.554 5.949 1.00 24.04 C ATOM 694 O PRO A 43 12.971 -9.072 4.970 1.00 52.45 O ATOM 695 CB PRO A 43 16.025 -8.466 6.327 1.00 2.15 C ATOM 696 CG PRO A 43 16.968 -9.465 5.724 1.00 63.30 C ATOM 697 CD PRO A 43 16.113 -10.564 5.162 1.00 70.44 C ATOM 0 HA PRO A 43 14.455 -9.268 7.693 1.00 41.11 H new ATOM 0 HB2 PRO A 43 15.838 -7.642 5.638 1.00 2.15 H new ATOM 0 HB3 PRO A 43 16.445 -8.033 7.235 1.00 2.15 H new ATOM 0 HG2 PRO A 43 17.574 -9.006 4.943 1.00 63.30 H new ATOM 0 HG3 PRO A 43 17.656 -9.853 6.475 1.00 63.30 H new ATOM 0 HD2 PRO A 43 15.791 -10.349 4.143 1.00 70.44 H new ATOM 0 HD3 PRO A 43 16.641 -11.517 5.135 1.00 70.44 H new ATOM 705 N PRO A 44 13.059 -7.388 6.468 1.00 12.14 N ATOM 706 CA PRO A 44 11.998 -6.592 5.820 1.00 71.32 C ATOM 707 C PRO A 44 12.256 -6.374 4.313 1.00 43.35 C ATOM 708 O PRO A 44 13.352 -5.967 3.919 1.00 53.50 O ATOM 709 CB PRO A 44 12.052 -5.262 6.585 1.00 5.04 C ATOM 710 CG PRO A 44 12.541 -5.636 7.943 1.00 14.52 C ATOM 711 CD PRO A 44 13.514 -6.771 7.735 1.00 64.23 C ATOM 0 HA PRO A 44 11.027 -7.086 5.861 1.00 71.32 H new ATOM 0 HB2 PRO A 44 12.724 -4.553 6.102 1.00 5.04 H new ATOM 0 HB3 PRO A 44 11.071 -4.790 6.632 1.00 5.04 H new ATOM 0 HG2 PRO A 44 13.026 -4.790 8.430 1.00 14.52 H new ATOM 0 HG3 PRO A 44 11.715 -5.942 8.585 1.00 14.52 H new ATOM 0 HD2 PRO A 44 14.540 -6.411 7.661 1.00 64.23 H new ATOM 0 HD3 PRO A 44 13.484 -7.482 8.561 1.00 64.23 H new ATOM 719 N PRO A 45 11.250 -6.653 3.452 1.00 3.13 N ATOM 720 CA PRO A 45 11.397 -6.566 1.989 1.00 54.11 C ATOM 721 C PRO A 45 11.107 -5.166 1.423 1.00 15.41 C ATOM 722 O PRO A 45 10.601 -4.288 2.124 1.00 25.03 O ATOM 723 CB PRO A 45 10.340 -7.564 1.510 1.00 25.50 C ATOM 724 CG PRO A 45 9.236 -7.451 2.511 1.00 21.32 C ATOM 725 CD PRO A 45 9.885 -7.074 3.830 1.00 41.12 C ATOM 0 HA PRO A 45 12.416 -6.774 1.664 1.00 54.11 H new ATOM 0 HB2 PRO A 45 9.992 -7.321 0.506 1.00 25.50 H new ATOM 0 HB3 PRO A 45 10.739 -8.577 1.473 1.00 25.50 H new ATOM 0 HG2 PRO A 45 8.512 -6.696 2.206 1.00 21.32 H new ATOM 0 HG3 PRO A 45 8.696 -8.393 2.600 1.00 21.32 H new ATOM 0 HD2 PRO A 45 9.342 -6.269 4.326 1.00 41.12 H new ATOM 0 HD3 PRO A 45 9.905 -7.917 4.520 1.00 41.12 H new ATOM 733 N LYS A 46 11.427 -4.968 0.142 1.00 31.14 N ATOM 734 CA LYS A 46 11.143 -3.700 -0.538 1.00 24.33 C ATOM 735 C LYS A 46 9.700 -3.674 -1.066 1.00 35.34 C ATOM 736 O LYS A 46 9.223 -4.650 -1.651 1.00 12.20 O ATOM 737 CB LYS A 46 12.132 -3.468 -1.691 1.00 24.34 C ATOM 738 CG LYS A 46 11.944 -2.128 -2.402 1.00 31.02 C ATOM 739 CD LYS A 46 12.159 -0.942 -1.459 1.00 52.34 C ATOM 740 CE LYS A 46 11.893 0.392 -2.154 1.00 41.20 C ATOM 741 NZ LYS A 46 12.111 1.552 -1.248 1.00 63.11 N ATOM 0 H LYS A 46 11.882 -5.667 -0.445 1.00 31.14 H new ATOM 0 HA LYS A 46 11.260 -2.896 0.189 1.00 24.33 H new ATOM 0 HB2 LYS A 46 13.149 -3.523 -1.302 1.00 24.34 H new ATOM 0 HB3 LYS A 46 12.024 -4.273 -2.418 1.00 24.34 H new ATOM 0 HG2 LYS A 46 12.643 -2.059 -3.236 1.00 31.02 H new ATOM 0 HG3 LYS A 46 10.940 -2.079 -2.823 1.00 31.02 H new ATOM 0 HD2 LYS A 46 11.500 -1.040 -0.596 1.00 52.34 H new ATOM 0 HD3 LYS A 46 13.182 -0.958 -1.083 1.00 52.34 H new ATOM 0 HE2 LYS A 46 12.546 0.484 -3.022 1.00 41.20 H new ATOM 0 HE3 LYS A 46 10.867 0.409 -2.523 1.00 41.20 H new ATOM 0 HZ1 LYS A 46 11.919 2.435 -1.762 1.00 63.11 H new ATOM 0 HZ2 LYS A 46 11.470 1.480 -0.432 1.00 63.11 H new ATOM 0 HZ3 LYS A 46 13.096 1.552 -0.916 1.00 63.11 H new ATOM 755 N LEU A 47 9.013 -2.553 -0.852 1.00 33.01 N ATOM 756 CA LEU A 47 7.603 -2.413 -1.229 1.00 45.53 C ATOM 757 C LEU A 47 7.426 -1.588 -2.512 1.00 41.31 C ATOM 758 O LEU A 47 8.022 -0.519 -2.668 1.00 25.12 O ATOM 759 CB LEU A 47 6.839 -1.747 -0.082 1.00 1.54 C ATOM 760 CG LEU A 47 6.931 -2.476 1.267 1.00 53.22 C ATOM 761 CD1 LEU A 47 6.305 -1.636 2.373 1.00 3.13 C ATOM 762 CD2 LEU A 47 6.265 -3.848 1.186 1.00 42.32 C ATOM 0 H LEU A 47 9.412 -1.721 -0.416 1.00 33.01 H new ATOM 0 HA LEU A 47 7.208 -3.410 -1.423 1.00 45.53 H new ATOM 0 HB2 LEU A 47 7.215 -0.732 0.044 1.00 1.54 H new ATOM 0 HB3 LEU A 47 5.789 -1.666 -0.363 1.00 1.54 H new ATOM 0 HG LEU A 47 7.984 -2.624 1.505 1.00 53.22 H new ATOM 0 HD11 LEU A 47 6.380 -2.169 3.321 1.00 3.13 H new ATOM 0 HD12 LEU A 47 6.831 -0.684 2.449 1.00 3.13 H new ATOM 0 HD13 LEU A 47 5.256 -1.453 2.141 1.00 3.13 H new ATOM 0 HD21 LEU A 47 6.342 -4.347 2.152 1.00 42.32 H new ATOM 0 HD22 LEU A 47 5.214 -3.727 0.922 1.00 42.32 H new ATOM 0 HD23 LEU A 47 6.763 -4.450 0.426 1.00 42.32 H new ATOM 774 N PHE A 48 6.602 -2.093 -3.425 1.00 70.11 N ATOM 775 CA PHE A 48 6.270 -1.382 -4.667 1.00 5.42 C ATOM 776 C PHE A 48 4.754 -1.206 -4.804 1.00 40.10 C ATOM 777 O PHE A 48 4.010 -2.187 -4.818 1.00 30.34 O ATOM 778 CB PHE A 48 6.812 -2.148 -5.880 1.00 53.42 C ATOM 779 CG PHE A 48 8.316 -2.252 -5.907 1.00 55.11 C ATOM 780 CD1 PHE A 48 9.082 -1.264 -6.512 1.00 73.02 C ATOM 781 CD2 PHE A 48 8.965 -3.332 -5.326 1.00 14.33 C ATOM 782 CE1 PHE A 48 10.460 -1.352 -6.536 1.00 64.54 C ATOM 783 CE2 PHE A 48 10.343 -3.423 -5.348 1.00 54.30 C ATOM 784 CZ PHE A 48 11.091 -2.432 -5.954 1.00 3.03 C ATOM 0 H PHE A 48 6.145 -3.000 -3.331 1.00 70.11 H new ATOM 0 HA PHE A 48 6.735 -0.397 -4.627 1.00 5.42 H new ATOM 0 HB2 PHE A 48 6.387 -3.152 -5.885 1.00 53.42 H new ATOM 0 HB3 PHE A 48 6.474 -1.654 -6.791 1.00 53.42 H new ATOM 0 HD1 PHE A 48 8.594 -0.416 -6.969 1.00 73.02 H new ATOM 0 HD2 PHE A 48 8.386 -4.110 -4.851 1.00 14.33 H new ATOM 0 HE1 PHE A 48 11.043 -0.576 -7.010 1.00 64.54 H new ATOM 0 HE2 PHE A 48 10.836 -4.269 -4.892 1.00 54.30 H new ATOM 0 HZ PHE A 48 12.169 -2.503 -5.972 1.00 3.03 H new ATOM 794 N TRP A 49 4.299 0.043 -4.896 1.00 3.41 N ATOM 795 CA TRP A 49 2.869 0.334 -5.050 1.00 51.14 C ATOM 796 C TRP A 49 2.545 0.879 -6.449 1.00 50.40 C ATOM 797 O TRP A 49 3.150 1.847 -6.920 1.00 41.53 O ATOM 798 CB TRP A 49 2.401 1.332 -3.983 1.00 61.42 C ATOM 799 CG TRP A 49 2.365 0.762 -2.594 1.00 73.14 C ATOM 800 CD1 TRP A 49 3.409 0.650 -1.720 1.00 71.21 C ATOM 801 CD2 TRP A 49 1.217 0.234 -1.920 1.00 23.33 C ATOM 802 NE1 TRP A 49 2.979 0.083 -0.545 1.00 71.20 N ATOM 803 CE2 TRP A 49 1.637 -0.182 -0.641 1.00 74.41 C ATOM 804 CE3 TRP A 49 -0.128 0.071 -2.272 1.00 32.03 C ATOM 805 CZ2 TRP A 49 0.761 -0.747 0.282 1.00 65.44 C ATOM 806 CZ3 TRP A 49 -0.997 -0.489 -1.354 1.00 51.13 C ATOM 807 CH2 TRP A 49 -0.550 -0.892 -0.089 1.00 13.12 C ATOM 0 H TRP A 49 4.896 0.870 -4.867 1.00 3.41 H new ATOM 0 HA TRP A 49 2.334 -0.607 -4.921 1.00 51.14 H new ATOM 0 HB2 TRP A 49 3.063 2.198 -3.993 1.00 61.42 H new ATOM 0 HB3 TRP A 49 1.405 1.689 -4.245 1.00 61.42 H new ATOM 0 HD1 TRP A 49 4.423 0.961 -1.923 1.00 71.21 H new ATOM 0 HE1 TRP A 49 3.564 -0.110 0.268 1.00 71.20 H new ATOM 0 HE3 TRP A 49 -0.481 0.378 -3.245 1.00 32.03 H new ATOM 0 HZ2 TRP A 49 1.103 -1.060 1.257 1.00 65.44 H new ATOM 0 HZ3 TRP A 49 -2.037 -0.618 -1.616 1.00 51.13 H new ATOM 0 HH2 TRP A 49 -1.252 -1.325 0.607 1.00 13.12 H new ATOM 818 N LYS A 50 1.580 0.248 -7.103 1.00 61.14 N ATOM 819 CA LYS A 50 1.126 0.666 -8.429 1.00 10.42 C ATOM 820 C LYS A 50 -0.357 1.072 -8.396 1.00 53.24 C ATOM 821 O LYS A 50 -1.202 0.315 -7.935 1.00 65.43 O ATOM 822 CB LYS A 50 1.365 -0.483 -9.423 1.00 40.31 C ATOM 823 CG LYS A 50 0.726 -0.291 -10.798 1.00 1.24 C ATOM 824 CD LYS A 50 1.145 -1.390 -11.774 1.00 1.23 C ATOM 825 CE LYS A 50 0.825 -2.789 -11.247 1.00 41.20 C ATOM 826 NZ LYS A 50 -0.637 -3.013 -11.080 1.00 72.11 N ATOM 0 H LYS A 50 1.089 -0.566 -6.734 1.00 61.14 H new ATOM 0 HA LYS A 50 1.693 1.540 -8.749 1.00 10.42 H new ATOM 0 HB2 LYS A 50 2.439 -0.613 -9.553 1.00 40.31 H new ATOM 0 HB3 LYS A 50 0.983 -1.406 -8.987 1.00 40.31 H new ATOM 0 HG2 LYS A 50 -0.359 -0.288 -10.698 1.00 1.24 H new ATOM 0 HG3 LYS A 50 1.012 0.681 -11.200 1.00 1.24 H new ATOM 0 HD2 LYS A 50 0.638 -1.239 -12.727 1.00 1.23 H new ATOM 0 HD3 LYS A 50 2.215 -1.313 -11.966 1.00 1.23 H new ATOM 0 HE2 LYS A 50 1.228 -3.534 -11.934 1.00 41.20 H new ATOM 0 HE3 LYS A 50 1.324 -2.936 -10.289 1.00 41.20 H new ATOM 0 HZ1 LYS A 50 -0.839 -3.264 -10.091 1.00 72.11 H new ATOM 0 HZ2 LYS A 50 -1.152 -2.144 -11.329 1.00 72.11 H new ATOM 0 HZ3 LYS A 50 -0.943 -3.788 -11.703 1.00 72.11 H new ATOM 840 N ARG A 51 -0.663 2.258 -8.910 1.00 34.54 N ATOM 841 CA ARG A 51 -2.037 2.779 -8.920 1.00 52.32 C ATOM 842 C ARG A 51 -2.632 2.725 -10.329 1.00 61.35 C ATOM 843 O ARG A 51 -2.201 3.459 -11.216 1.00 40.54 O ATOM 844 CB ARG A 51 -2.042 4.240 -8.441 1.00 4.21 C ATOM 845 CG ARG A 51 -3.358 4.984 -8.684 1.00 4.34 C ATOM 846 CD ARG A 51 -3.199 6.488 -8.474 1.00 33.44 C ATOM 847 NE ARG A 51 -4.302 7.246 -9.064 1.00 64.34 N ATOM 848 CZ ARG A 51 -4.340 7.617 -10.319 1.00 53.42 C ATOM 849 NH1 ARG A 51 -3.394 7.271 -11.136 1.00 54.05 N ATOM 850 NH2 ARG A 51 -5.328 8.328 -10.767 1.00 5.14 N ATOM 0 H ARG A 51 0.023 2.885 -9.330 1.00 34.54 H new ATOM 0 HA ARG A 51 -2.637 2.159 -8.254 1.00 52.32 H new ATOM 0 HB2 ARG A 51 -1.820 4.260 -7.374 1.00 4.21 H new ATOM 0 HB3 ARG A 51 -1.238 4.777 -8.944 1.00 4.21 H new ATOM 0 HG2 ARG A 51 -3.703 4.792 -9.700 1.00 4.34 H new ATOM 0 HG3 ARG A 51 -4.124 4.601 -8.010 1.00 4.34 H new ATOM 0 HD2 ARG A 51 -3.144 6.701 -7.406 1.00 33.44 H new ATOM 0 HD3 ARG A 51 -2.258 6.817 -8.914 1.00 33.44 H new ATOM 0 HE ARG A 51 -5.086 7.500 -8.463 1.00 64.34 H new ATOM 0 HH11 ARG A 51 -2.613 6.706 -10.802 1.00 54.05 H new ATOM 0 HH12 ARG A 51 -3.431 7.564 -12.112 1.00 54.05 H new ATOM 0 HH21 ARG A 51 -6.084 8.603 -10.140 1.00 5.14 H new ATOM 0 HH22 ARG A 51 -5.349 8.612 -11.746 1.00 5.14 H new ATOM 864 N ASN A 52 -3.639 1.873 -10.512 1.00 55.12 N ATOM 865 CA ASN A 52 -4.380 1.782 -11.775 1.00 1.33 C ATOM 866 C ASN A 52 -3.442 1.803 -13.002 1.00 63.03 C ATOM 867 O ASN A 52 -3.481 2.729 -13.815 1.00 32.34 O ATOM 868 CB ASN A 52 -5.405 2.924 -11.846 1.00 31.21 C ATOM 869 CG ASN A 52 -6.454 2.707 -12.923 1.00 43.43 C ATOM 870 OD1 ASN A 52 -6.750 1.576 -13.306 1.00 14.35 O ATOM 871 ND2 ASN A 52 -7.040 3.780 -13.407 1.00 41.22 N ATOM 0 H ASN A 52 -3.966 1.227 -9.793 1.00 55.12 H new ATOM 0 HA ASN A 52 -4.900 0.825 -11.799 1.00 1.33 H new ATOM 0 HB2 ASN A 52 -5.899 3.024 -10.879 1.00 31.21 H new ATOM 0 HB3 ASN A 52 -4.884 3.862 -12.036 1.00 31.21 H new ATOM 0 HD21 ASN A 52 -7.763 3.688 -14.121 1.00 41.22 H new ATOM 0 HD22 ASN A 52 -6.772 4.704 -13.068 1.00 41.22 H new ATOM 878 N ASN A 53 -2.572 0.791 -13.095 1.00 25.53 N ATOM 879 CA ASN A 53 -1.605 0.648 -14.205 1.00 62.23 C ATOM 880 C ASN A 53 -0.452 1.681 -14.146 1.00 33.31 C ATOM 881 O ASN A 53 0.557 1.529 -14.842 1.00 24.14 O ATOM 882 CB ASN A 53 -2.316 0.731 -15.565 1.00 25.43 C ATOM 883 CG ASN A 53 -3.349 -0.366 -15.761 1.00 70.23 C ATOM 884 OD1 ASN A 53 -3.922 -0.888 -14.809 1.00 52.20 O ATOM 885 ND2 ASN A 53 -3.601 -0.720 -17.002 1.00 64.53 N ATOM 0 H ASN A 53 -2.513 0.043 -12.404 1.00 25.53 H new ATOM 0 HA ASN A 53 -1.156 -0.338 -14.089 1.00 62.23 H new ATOM 0 HB2 ASN A 53 -2.803 1.702 -15.656 1.00 25.43 H new ATOM 0 HB3 ASN A 53 -1.574 0.671 -16.361 1.00 25.43 H new ATOM 0 HD21 ASN A 53 -4.289 -1.447 -17.195 1.00 64.53 H new ATOM 0 HD22 ASN A 53 -3.108 -0.267 -17.772 1.00 64.53 H new ATOM 892 N GLU A 54 -0.595 2.719 -13.322 1.00 63.33 N ATOM 893 CA GLU A 54 0.457 3.738 -13.141 1.00 0.42 C ATOM 894 C GLU A 54 1.262 3.476 -11.857 1.00 12.13 C ATOM 895 O GLU A 54 0.784 2.803 -10.953 1.00 71.23 O ATOM 896 CB GLU A 54 -0.166 5.142 -13.072 1.00 72.11 C ATOM 897 CG GLU A 54 -0.970 5.533 -14.305 1.00 53.35 C ATOM 898 CD GLU A 54 -1.592 6.917 -14.179 1.00 33.53 C ATOM 899 OE1 GLU A 54 -0.918 7.914 -14.513 1.00 31.32 O ATOM 900 OE2 GLU A 54 -2.755 7.019 -13.735 1.00 2.13 O ATOM 0 H GLU A 54 -1.432 2.883 -12.763 1.00 63.33 H new ATOM 0 HA GLU A 54 1.129 3.679 -13.997 1.00 0.42 H new ATOM 0 HB2 GLU A 54 -0.815 5.196 -12.198 1.00 72.11 H new ATOM 0 HB3 GLU A 54 0.629 5.873 -12.925 1.00 72.11 H new ATOM 0 HG2 GLU A 54 -0.322 5.508 -15.181 1.00 53.35 H new ATOM 0 HG3 GLU A 54 -1.757 4.798 -14.470 1.00 53.35 H new ATOM 907 N MET A 55 2.479 4.005 -11.773 1.00 23.34 N ATOM 908 CA MET A 55 3.297 3.851 -10.561 1.00 10.43 C ATOM 909 C MET A 55 3.103 5.030 -9.588 1.00 10.03 C ATOM 910 O MET A 55 3.101 6.195 -9.993 1.00 42.24 O ATOM 911 CB MET A 55 4.774 3.693 -10.938 1.00 15.32 C ATOM 912 CG MET A 55 5.706 3.517 -9.745 1.00 62.14 C ATOM 913 SD MET A 55 7.234 2.673 -10.194 1.00 45.14 S ATOM 914 CE MET A 55 6.589 1.064 -10.663 1.00 45.53 C ATOM 0 H MET A 55 2.923 4.540 -12.519 1.00 23.34 H new ATOM 0 HA MET A 55 2.966 2.950 -10.045 1.00 10.43 H new ATOM 0 HB2 MET A 55 4.879 2.832 -11.598 1.00 15.32 H new ATOM 0 HB3 MET A 55 5.089 4.569 -11.505 1.00 15.32 H new ATOM 0 HG2 MET A 55 5.943 4.494 -9.324 1.00 62.14 H new ATOM 0 HG3 MET A 55 5.195 2.950 -8.967 1.00 62.14 H new ATOM 0 HE1 MET A 55 7.336 0.298 -10.456 1.00 45.53 H new ATOM 0 HE2 MET A 55 5.686 0.853 -10.091 1.00 45.53 H new ATOM 0 HE3 MET A 55 6.353 1.063 -11.727 1.00 45.53 H new ATOM 924 N VAL A 56 2.960 4.715 -8.299 1.00 44.03 N ATOM 925 CA VAL A 56 2.671 5.725 -7.270 1.00 63.33 C ATOM 926 C VAL A 56 3.923 6.540 -6.892 1.00 41.31 C ATOM 927 O VAL A 56 5.008 5.986 -6.704 1.00 25.21 O ATOM 928 CB VAL A 56 2.095 5.062 -5.993 1.00 2.12 C ATOM 929 CG1 VAL A 56 1.678 6.112 -4.963 1.00 51.40 C ATOM 930 CG2 VAL A 56 0.924 4.147 -6.345 1.00 3.12 C ATOM 0 H VAL A 56 3.040 3.764 -7.938 1.00 44.03 H new ATOM 0 HA VAL A 56 1.933 6.403 -7.698 1.00 63.33 H new ATOM 0 HB VAL A 56 2.882 4.455 -5.545 1.00 2.12 H new ATOM 0 HG11 VAL A 56 1.278 5.616 -4.079 1.00 51.40 H new ATOM 0 HG12 VAL A 56 2.545 6.711 -4.682 1.00 51.40 H new ATOM 0 HG13 VAL A 56 0.914 6.760 -5.393 1.00 51.40 H new ATOM 0 HG21 VAL A 56 0.533 3.691 -5.436 1.00 3.12 H new ATOM 0 HG22 VAL A 56 0.138 4.730 -6.825 1.00 3.12 H new ATOM 0 HG23 VAL A 56 1.264 3.366 -7.026 1.00 3.12 H new ATOM 940 N GLN A 57 3.759 7.859 -6.776 1.00 11.31 N ATOM 941 CA GLN A 57 4.862 8.754 -6.397 1.00 0.45 C ATOM 942 C GLN A 57 4.840 9.071 -4.888 1.00 51.40 C ATOM 943 O GLN A 57 3.881 9.645 -4.375 1.00 34.00 O ATOM 944 CB GLN A 57 4.797 10.058 -7.214 1.00 70.24 C ATOM 945 CG GLN A 57 3.468 10.806 -7.102 1.00 50.14 C ATOM 946 CD GLN A 57 3.500 12.163 -7.784 1.00 71.43 C ATOM 947 OE1 GLN A 57 3.840 13.171 -7.172 1.00 74.41 O ATOM 948 NE2 GLN A 57 3.151 12.204 -9.054 1.00 34.52 N ATOM 0 H GLN A 57 2.872 8.335 -6.939 1.00 11.31 H new ATOM 0 HA GLN A 57 5.797 8.240 -6.618 1.00 0.45 H new ATOM 0 HB2 GLN A 57 5.600 10.718 -6.887 1.00 70.24 H new ATOM 0 HB3 GLN A 57 4.982 9.825 -8.263 1.00 70.24 H new ATOM 0 HG2 GLN A 57 2.677 10.200 -7.544 1.00 50.14 H new ATOM 0 HG3 GLN A 57 3.218 10.939 -6.049 1.00 50.14 H new ATOM 0 HE21 GLN A 57 2.873 11.348 -9.534 1.00 34.52 H new ATOM 0 HE22 GLN A 57 3.159 13.092 -9.557 1.00 34.52 H new ATOM 957 N PHE A 58 5.907 8.703 -4.182 1.00 13.43 N ATOM 958 CA PHE A 58 5.995 8.926 -2.729 1.00 5.22 C ATOM 959 C PHE A 58 6.750 10.223 -2.390 1.00 12.03 C ATOM 960 O PHE A 58 6.953 10.546 -1.219 1.00 64.11 O ATOM 961 CB PHE A 58 6.690 7.732 -2.057 1.00 64.32 C ATOM 962 CG PHE A 58 6.044 6.401 -2.364 1.00 15.14 C ATOM 963 CD1 PHE A 58 4.878 6.013 -1.720 1.00 72.33 C ATOM 964 CD2 PHE A 58 6.605 5.539 -3.296 1.00 54.11 C ATOM 965 CE1 PHE A 58 4.287 4.796 -2.002 1.00 5.13 C ATOM 966 CE2 PHE A 58 6.018 4.321 -3.579 1.00 33.43 C ATOM 967 CZ PHE A 58 4.860 3.948 -2.931 1.00 53.33 C ATOM 0 H PHE A 58 6.726 8.249 -4.587 1.00 13.43 H new ATOM 0 HA PHE A 58 4.978 9.025 -2.350 1.00 5.22 H new ATOM 0 HB2 PHE A 58 7.732 7.702 -2.377 1.00 64.32 H new ATOM 0 HB3 PHE A 58 6.692 7.884 -0.978 1.00 64.32 H new ATOM 0 HD1 PHE A 58 4.427 6.669 -0.990 1.00 72.33 H new ATOM 0 HD2 PHE A 58 7.513 5.824 -3.807 1.00 54.11 H new ATOM 0 HE1 PHE A 58 3.377 4.507 -1.496 1.00 5.13 H new ATOM 0 HE2 PHE A 58 6.466 3.661 -4.307 1.00 33.43 H new ATOM 0 HZ PHE A 58 4.401 2.995 -3.149 1.00 53.33 H new ATOM 977 N ASN A 59 7.155 10.968 -3.420 1.00 2.31 N ATOM 978 CA ASN A 59 7.927 12.209 -3.230 1.00 45.14 C ATOM 979 C ASN A 59 7.017 13.421 -2.950 1.00 1.22 C ATOM 980 O ASN A 59 7.492 14.547 -2.795 1.00 44.04 O ATOM 981 CB ASN A 59 8.796 12.474 -4.465 1.00 1.04 C ATOM 982 CG ASN A 59 7.974 12.728 -5.716 1.00 44.24 C ATOM 983 OD1 ASN A 59 7.578 11.803 -6.416 1.00 3.31 O ATOM 984 ND2 ASN A 59 7.717 13.985 -6.005 1.00 73.13 N ATOM 0 H ASN A 59 6.964 10.739 -4.395 1.00 2.31 H new ATOM 0 HA ASN A 59 8.563 12.073 -2.355 1.00 45.14 H new ATOM 0 HB2 ASN A 59 9.437 13.335 -4.275 1.00 1.04 H new ATOM 0 HB3 ASN A 59 9.452 11.620 -4.633 1.00 1.04 H new ATOM 0 HD21 ASN A 59 7.171 14.216 -6.835 1.00 73.13 H new ATOM 0 HD22 ASN A 59 8.063 14.729 -5.399 1.00 73.13 H new ATOM 991 N THR A 60 5.713 13.181 -2.878 1.00 1.44 N ATOM 992 CA THR A 60 4.734 14.243 -2.600 1.00 55.43 C ATOM 993 C THR A 60 4.216 14.153 -1.164 1.00 71.21 C ATOM 994 O THR A 60 4.174 13.073 -0.575 1.00 10.31 O ATOM 995 CB THR A 60 3.526 14.179 -3.569 1.00 12.05 C ATOM 996 OG1 THR A 60 2.493 15.083 -3.139 1.00 14.21 O ATOM 997 CG2 THR A 60 2.960 12.766 -3.661 1.00 52.33 C ATOM 0 H THR A 60 5.300 12.257 -3.008 1.00 1.44 H new ATOM 0 HA THR A 60 5.255 15.190 -2.744 1.00 55.43 H new ATOM 0 HB THR A 60 3.880 14.473 -4.557 1.00 12.05 H new ATOM 0 HG1 THR A 60 1.736 15.034 -3.760 1.00 14.21 H new ATOM 0 HG21 THR A 60 2.114 12.757 -4.349 1.00 52.33 H new ATOM 0 HG22 THR A 60 3.732 12.088 -4.026 1.00 52.33 H new ATOM 0 HG23 THR A 60 2.629 12.442 -2.674 1.00 52.33 H new ATOM 1005 N ASP A 61 3.806 15.287 -0.607 1.00 31.04 N ATOM 1006 CA ASP A 61 3.312 15.331 0.770 1.00 0.03 C ATOM 1007 C ASP A 61 1.952 14.617 0.881 1.00 53.12 C ATOM 1008 O ASP A 61 1.543 14.187 1.962 1.00 72.05 O ATOM 1009 CB ASP A 61 3.201 16.788 1.233 1.00 73.05 C ATOM 1010 CG ASP A 61 3.027 16.910 2.735 1.00 54.11 C ATOM 1011 OD1 ASP A 61 4.049 16.869 3.457 1.00 24.22 O ATOM 1012 OD2 ASP A 61 1.879 17.058 3.204 1.00 31.43 O ATOM 0 H ASP A 61 3.805 16.188 -1.084 1.00 31.04 H new ATOM 0 HA ASP A 61 4.017 14.809 1.417 1.00 0.03 H new ATOM 0 HB2 ASP A 61 4.096 17.331 0.929 1.00 73.05 H new ATOM 0 HB3 ASP A 61 2.356 17.261 0.733 1.00 73.05 H new ATOM 1017 N ARG A 62 1.272 14.475 -0.261 1.00 51.31 N ATOM 1018 CA ARG A 62 -0.023 13.793 -0.314 1.00 45.43 C ATOM 1019 C ARG A 62 0.125 12.275 -0.126 1.00 24.14 C ATOM 1020 O ARG A 62 -0.754 11.623 0.425 1.00 24.52 O ATOM 1021 CB ARG A 62 -0.723 14.075 -1.653 1.00 32.33 C ATOM 1022 CG ARG A 62 -1.002 15.553 -1.915 1.00 21.53 C ATOM 1023 CD ARG A 62 -1.773 15.756 -3.219 1.00 13.33 C ATOM 1024 NE ARG A 62 -1.985 17.172 -3.521 1.00 55.54 N ATOM 1025 CZ ARG A 62 -2.697 17.610 -4.528 1.00 42.31 C ATOM 1026 NH1 ARG A 62 -3.337 16.788 -5.294 1.00 34.43 N ATOM 1027 NH2 ARG A 62 -2.800 18.878 -4.749 1.00 73.20 N ATOM 0 H ARG A 62 1.598 14.824 -1.162 1.00 51.31 H new ATOM 0 HA ARG A 62 -0.627 14.182 0.506 1.00 45.43 H new ATOM 0 HB2 ARG A 62 -0.106 13.684 -2.462 1.00 32.33 H new ATOM 0 HB3 ARG A 62 -1.666 13.529 -1.679 1.00 32.33 H new ATOM 0 HG2 ARG A 62 -1.573 15.969 -1.085 1.00 21.53 H new ATOM 0 HG3 ARG A 62 -0.060 16.100 -1.959 1.00 21.53 H new ATOM 0 HD2 ARG A 62 -1.227 15.289 -4.039 1.00 13.33 H new ATOM 0 HD3 ARG A 62 -2.737 15.252 -3.151 1.00 13.33 H new ATOM 0 HE ARG A 62 -1.550 17.861 -2.908 1.00 55.54 H new ATOM 0 HH11 ARG A 62 -3.291 15.785 -5.117 1.00 34.43 H new ATOM 0 HH12 ARG A 62 -3.888 17.143 -6.075 1.00 34.43 H new ATOM 0 HH21 ARG A 62 -2.325 19.542 -4.138 1.00 73.20 H new ATOM 0 HH22 ARG A 62 -3.356 19.215 -5.535 1.00 73.20 H new ATOM 1041 N ILE A 63 1.244 11.711 -0.574 1.00 21.01 N ATOM 1042 CA ILE A 63 1.451 10.258 -0.510 1.00 34.32 C ATOM 1043 C ILE A 63 2.614 9.898 0.425 1.00 61.12 C ATOM 1044 O ILE A 63 3.735 10.375 0.258 1.00 44.31 O ATOM 1045 CB ILE A 63 1.730 9.663 -1.917 1.00 63.31 C ATOM 1046 CG1 ILE A 63 0.579 9.997 -2.887 1.00 65.25 C ATOM 1047 CG2 ILE A 63 1.948 8.149 -1.838 1.00 31.22 C ATOM 1048 CD1 ILE A 63 -0.763 9.416 -2.480 1.00 4.33 C ATOM 0 H ILE A 63 2.020 12.231 -0.984 1.00 21.01 H new ATOM 0 HA ILE A 63 0.530 9.828 -0.116 1.00 34.32 H new ATOM 0 HB ILE A 63 2.644 10.116 -2.300 1.00 63.31 H new ATOM 0 HG12 ILE A 63 0.486 11.080 -2.964 1.00 65.25 H new ATOM 0 HG13 ILE A 63 0.836 9.628 -3.880 1.00 65.25 H new ATOM 0 HG21 ILE A 63 2.141 7.757 -2.836 1.00 31.22 H new ATOM 0 HG22 ILE A 63 2.801 7.937 -1.193 1.00 31.22 H new ATOM 0 HG23 ILE A 63 1.057 7.674 -1.428 1.00 31.22 H new ATOM 0 HD11 ILE A 63 -1.519 9.697 -3.214 1.00 4.33 H new ATOM 0 HD12 ILE A 63 -0.690 8.330 -2.432 1.00 4.33 H new ATOM 0 HD13 ILE A 63 -1.046 9.804 -1.502 1.00 4.33 H new ATOM 1060 N SER A 64 2.346 9.037 1.402 1.00 55.53 N ATOM 1061 CA SER A 64 3.368 8.623 2.372 1.00 13.32 C ATOM 1062 C SER A 64 3.313 7.115 2.633 1.00 40.43 C ATOM 1063 O SER A 64 2.245 6.558 2.868 1.00 61.22 O ATOM 1064 CB SER A 64 3.185 9.380 3.695 1.00 43.33 C ATOM 1065 OG SER A 64 3.282 10.787 3.508 1.00 75.13 O ATOM 0 H SER A 64 1.431 8.610 1.547 1.00 55.53 H new ATOM 0 HA SER A 64 4.342 8.863 1.946 1.00 13.32 H new ATOM 0 HB2 SER A 64 2.213 9.135 4.124 1.00 43.33 H new ATOM 0 HB3 SER A 64 3.941 9.054 4.410 1.00 43.33 H new ATOM 0 HG SER A 64 3.160 11.241 4.368 1.00 75.13 H new ATOM 1071 N LEU A 65 4.469 6.459 2.600 1.00 4.20 N ATOM 1072 CA LEU A 65 4.552 5.013 2.840 1.00 50.24 C ATOM 1073 C LEU A 65 5.536 4.693 3.973 1.00 12.15 C ATOM 1074 O LEU A 65 6.651 5.218 4.011 1.00 65.02 O ATOM 1075 CB LEU A 65 4.990 4.288 1.557 1.00 61.41 C ATOM 1076 CG LEU A 65 5.151 2.760 1.685 1.00 33.53 C ATOM 1077 CD1 LEU A 65 3.811 2.091 1.980 1.00 72.24 C ATOM 1078 CD2 LEU A 65 5.793 2.176 0.427 1.00 42.31 C ATOM 0 H LEU A 65 5.367 6.903 2.409 1.00 4.20 H new ATOM 0 HA LEU A 65 3.562 4.666 3.136 1.00 50.24 H new ATOM 0 HB2 LEU A 65 4.260 4.495 0.775 1.00 61.41 H new ATOM 0 HB3 LEU A 65 5.939 4.710 1.227 1.00 61.41 H new ATOM 0 HG LEU A 65 5.814 2.559 2.526 1.00 33.53 H new ATOM 0 HD11 LEU A 65 3.953 1.014 2.065 1.00 72.24 H new ATOM 0 HD12 LEU A 65 3.409 2.479 2.916 1.00 72.24 H new ATOM 0 HD13 LEU A 65 3.113 2.302 1.170 1.00 72.24 H new ATOM 0 HD21 LEU A 65 5.897 1.097 0.539 1.00 42.31 H new ATOM 0 HD22 LEU A 65 5.164 2.392 -0.436 1.00 42.31 H new ATOM 0 HD23 LEU A 65 6.777 2.622 0.280 1.00 42.31 H new ATOM 1090 N TYR A 66 5.119 3.839 4.903 1.00 61.35 N ATOM 1091 CA TYR A 66 6.012 3.369 5.965 1.00 62.54 C ATOM 1092 C TYR A 66 5.758 1.892 6.281 1.00 70.53 C ATOM 1093 O TYR A 66 4.622 1.415 6.217 1.00 12.00 O ATOM 1094 CB TYR A 66 5.860 4.229 7.237 1.00 21.31 C ATOM 1095 CG TYR A 66 4.594 3.978 8.045 1.00 45.10 C ATOM 1096 CD1 TYR A 66 3.412 4.657 7.760 1.00 34.11 C ATOM 1097 CD2 TYR A 66 4.590 3.074 9.105 1.00 51.13 C ATOM 1098 CE1 TYR A 66 2.268 4.437 8.504 1.00 41.45 C ATOM 1099 CE2 TYR A 66 3.450 2.852 9.851 1.00 43.03 C ATOM 1100 CZ TYR A 66 2.292 3.534 9.548 1.00 64.50 C ATOM 1101 OH TYR A 66 1.157 3.312 10.295 1.00 30.12 O ATOM 0 H TYR A 66 4.174 3.458 4.946 1.00 61.35 H new ATOM 0 HA TYR A 66 7.036 3.470 5.607 1.00 62.54 H new ATOM 0 HB2 TYR A 66 6.722 4.053 7.880 1.00 21.31 H new ATOM 0 HB3 TYR A 66 5.886 5.280 6.950 1.00 21.31 H new ATOM 0 HD1 TYR A 66 3.389 5.366 6.946 1.00 34.11 H new ATOM 0 HD2 TYR A 66 5.495 2.537 9.347 1.00 51.13 H new ATOM 0 HE1 TYR A 66 1.358 4.970 8.269 1.00 41.45 H new ATOM 0 HE2 TYR A 66 3.466 2.147 10.669 1.00 43.03 H new ATOM 0 HH TYR A 66 1.347 2.646 10.989 1.00 30.12 H new ATOM 1111 N GLN A 67 6.822 1.169 6.610 1.00 72.22 N ATOM 1112 CA GLN A 67 6.715 -0.241 6.988 1.00 1.23 C ATOM 1113 C GLN A 67 7.352 -0.476 8.368 1.00 15.24 C ATOM 1114 O GLN A 67 8.485 -0.063 8.628 1.00 24.51 O ATOM 1115 CB GLN A 67 7.351 -1.129 5.906 1.00 73.34 C ATOM 1116 CG GLN A 67 8.844 -0.899 5.684 1.00 32.32 C ATOM 1117 CD GLN A 67 9.344 -1.541 4.398 1.00 52.42 C ATOM 1118 OE1 GLN A 67 9.412 -0.902 3.354 1.00 73.13 O ATOM 1119 NE2 GLN A 67 9.646 -2.821 4.449 1.00 43.03 N ATOM 0 H GLN A 67 7.774 1.535 6.624 1.00 72.22 H new ATOM 0 HA GLN A 67 5.662 -0.513 7.064 1.00 1.23 H new ATOM 0 HB2 GLN A 67 7.195 -2.174 6.175 1.00 73.34 H new ATOM 0 HB3 GLN A 67 6.828 -0.961 4.965 1.00 73.34 H new ATOM 0 HG2 GLN A 67 9.043 0.172 5.654 1.00 32.32 H new ATOM 0 HG3 GLN A 67 9.401 -1.303 6.529 1.00 32.32 H new ATOM 0 HE21 GLN A 67 9.580 -3.326 5.333 1.00 43.03 H new ATOM 0 HE22 GLN A 67 9.946 -3.308 3.605 1.00 43.03 H new ATOM 1128 N ASP A 68 6.600 -1.121 9.254 1.00 51.44 N ATOM 1129 CA ASP A 68 6.995 -1.288 10.655 1.00 53.14 C ATOM 1130 C ASP A 68 7.962 -2.474 10.845 1.00 24.32 C ATOM 1131 O ASP A 68 8.011 -3.390 10.021 1.00 24.35 O ATOM 1132 CB ASP A 68 5.727 -1.489 11.499 1.00 20.33 C ATOM 1133 CG ASP A 68 5.967 -1.320 12.988 1.00 55.30 C ATOM 1134 OD1 ASP A 68 6.505 -2.252 13.615 1.00 4.12 O ATOM 1135 OD2 ASP A 68 5.613 -0.255 13.534 1.00 13.42 O ATOM 0 H ASP A 68 5.700 -1.543 9.025 1.00 51.44 H new ATOM 0 HA ASP A 68 7.527 -0.393 10.978 1.00 53.14 H new ATOM 0 HB2 ASP A 68 4.967 -0.777 11.177 1.00 20.33 H new ATOM 0 HB3 ASP A 68 5.329 -2.486 11.313 1.00 20.33 H new ATOM 1140 N ASN A 69 8.712 -2.453 11.950 1.00 5.23 N ATOM 1141 CA ASN A 69 9.660 -3.526 12.278 1.00 74.03 C ATOM 1142 C ASN A 69 8.958 -4.894 12.384 1.00 22.15 C ATOM 1143 O ASN A 69 9.547 -5.929 12.072 1.00 64.33 O ATOM 1144 CB ASN A 69 10.388 -3.198 13.591 1.00 23.02 C ATOM 1145 CG ASN A 69 11.428 -4.240 13.958 1.00 51.13 C ATOM 1146 OD1 ASN A 69 11.141 -5.200 14.668 1.00 21.12 O ATOM 1147 ND2 ASN A 69 12.643 -4.063 13.480 1.00 63.44 N ATOM 0 H ASN A 69 8.682 -1.700 12.638 1.00 5.23 H new ATOM 0 HA ASN A 69 10.386 -3.591 11.468 1.00 74.03 H new ATOM 0 HB2 ASN A 69 10.870 -2.225 13.501 1.00 23.02 H new ATOM 0 HB3 ASN A 69 9.658 -3.119 14.397 1.00 23.02 H new ATOM 0 HD21 ASN A 69 13.379 -4.735 13.697 1.00 63.44 H new ATOM 0 HD22 ASN A 69 12.847 -3.254 12.893 1.00 63.44 H new ATOM 1154 N THR A 70 7.695 -4.891 12.815 1.00 63.41 N ATOM 1155 CA THR A 70 6.912 -6.136 12.931 1.00 22.24 C ATOM 1156 C THR A 70 6.394 -6.622 11.565 1.00 32.35 C ATOM 1157 O THR A 70 5.690 -7.626 11.480 1.00 72.32 O ATOM 1158 CB THR A 70 5.700 -5.966 13.886 1.00 2.11 C ATOM 1159 OG1 THR A 70 5.048 -7.231 14.098 1.00 41.54 O ATOM 1160 CG2 THR A 70 4.689 -4.970 13.324 1.00 30.14 C ATOM 0 H THR A 70 7.189 -4.049 13.090 1.00 63.41 H new ATOM 0 HA THR A 70 7.596 -6.880 13.340 1.00 22.24 H new ATOM 0 HB THR A 70 6.080 -5.585 14.834 1.00 2.11 H new ATOM 0 HG1 THR A 70 5.191 -7.807 13.318 1.00 41.54 H new ATOM 0 HG21 THR A 70 3.852 -4.872 14.015 1.00 30.14 H new ATOM 0 HG22 THR A 70 5.168 -3.999 13.195 1.00 30.14 H new ATOM 0 HG23 THR A 70 4.324 -5.326 12.360 1.00 30.14 H new ATOM 1168 N GLY A 71 6.750 -5.908 10.497 1.00 21.13 N ATOM 1169 CA GLY A 71 6.290 -6.269 9.157 1.00 64.55 C ATOM 1170 C GLY A 71 4.932 -5.667 8.797 1.00 24.14 C ATOM 1171 O GLY A 71 4.246 -6.155 7.899 1.00 33.20 O ATOM 0 H GLY A 71 7.350 -5.084 10.533 1.00 21.13 H new ATOM 0 HA2 GLY A 71 7.029 -5.941 8.427 1.00 64.55 H new ATOM 0 HA3 GLY A 71 6.229 -7.355 9.082 1.00 64.55 H new ATOM 1175 N ARG A 72 4.543 -4.603 9.498 1.00 75.53 N ATOM 1176 CA ARG A 72 3.263 -3.929 9.242 1.00 65.30 C ATOM 1177 C ARG A 72 3.408 -2.861 8.148 1.00 31.22 C ATOM 1178 O ARG A 72 4.059 -1.837 8.350 1.00 4.31 O ATOM 1179 CB ARG A 72 2.744 -3.291 10.539 1.00 71.51 C ATOM 1180 CG ARG A 72 1.399 -2.583 10.399 1.00 24.21 C ATOM 1181 CD ARG A 72 0.970 -1.939 11.713 1.00 13.10 C ATOM 1182 NE ARG A 72 -0.332 -1.282 11.613 1.00 4.35 N ATOM 1183 CZ ARG A 72 -0.732 -0.328 12.406 1.00 53.12 C ATOM 1184 NH1 ARG A 72 0.053 0.132 13.331 1.00 11.13 N ATOM 1185 NH2 ARG A 72 -1.916 0.173 12.268 1.00 52.43 N ATOM 0 H ARG A 72 5.093 -4.186 10.249 1.00 75.53 H new ATOM 0 HA ARG A 72 2.547 -4.673 8.892 1.00 65.30 H new ATOM 0 HB2 ARG A 72 2.655 -4.066 11.301 1.00 71.51 H new ATOM 0 HB3 ARG A 72 3.483 -2.574 10.898 1.00 71.51 H new ATOM 0 HG2 ARG A 72 1.467 -1.820 9.623 1.00 24.21 H new ATOM 0 HG3 ARG A 72 0.641 -3.298 10.078 1.00 24.21 H new ATOM 0 HD2 ARG A 72 0.931 -2.701 12.492 1.00 13.10 H new ATOM 0 HD3 ARG A 72 1.720 -1.209 12.018 1.00 13.10 H new ATOM 0 HE ARG A 72 -0.967 -1.589 10.877 1.00 4.35 H new ATOM 0 HH11 ARG A 72 0.991 -0.253 13.442 1.00 11.13 H new ATOM 0 HH12 ARG A 72 -0.268 0.879 13.947 1.00 11.13 H new ATOM 0 HH21 ARG A 72 -2.537 -0.178 11.539 1.00 52.43 H new ATOM 0 HH22 ARG A 72 -2.229 0.920 12.888 1.00 52.43 H new ATOM 1199 N VAL A 73 2.804 -3.105 6.991 1.00 5.25 N ATOM 1200 CA VAL A 73 2.881 -2.176 5.859 1.00 1.33 C ATOM 1201 C VAL A 73 1.662 -1.243 5.822 1.00 72.41 C ATOM 1202 O VAL A 73 0.523 -1.703 5.877 1.00 13.34 O ATOM 1203 CB VAL A 73 2.972 -2.948 4.522 1.00 22.11 C ATOM 1204 CG1 VAL A 73 3.064 -1.987 3.342 1.00 61.13 C ATOM 1205 CG2 VAL A 73 4.161 -3.909 4.537 1.00 72.42 C ATOM 0 H VAL A 73 2.251 -3.942 6.807 1.00 5.25 H new ATOM 0 HA VAL A 73 3.781 -1.576 5.992 1.00 1.33 H new ATOM 0 HB VAL A 73 2.060 -3.534 4.405 1.00 22.11 H new ATOM 0 HG11 VAL A 73 3.127 -2.555 2.414 1.00 61.13 H new ATOM 0 HG12 VAL A 73 2.178 -1.352 3.320 1.00 61.13 H new ATOM 0 HG13 VAL A 73 3.953 -1.365 3.448 1.00 61.13 H new ATOM 0 HG21 VAL A 73 4.209 -4.443 3.588 1.00 72.42 H new ATOM 0 HG22 VAL A 73 5.083 -3.345 4.683 1.00 72.42 H new ATOM 0 HG23 VAL A 73 4.040 -4.624 5.351 1.00 72.42 H new ATOM 1215 N THR A 74 1.897 0.066 5.738 1.00 3.11 N ATOM 1216 CA THR A 74 0.797 1.046 5.694 1.00 34.04 C ATOM 1217 C THR A 74 1.045 2.155 4.661 1.00 21.15 C ATOM 1218 O THR A 74 2.063 2.850 4.710 1.00 55.02 O ATOM 1219 CB THR A 74 0.573 1.706 7.076 1.00 74.35 C ATOM 1220 OG1 THR A 74 0.374 0.704 8.084 1.00 4.12 O ATOM 1221 CG2 THR A 74 -0.636 2.640 7.052 1.00 23.44 C ATOM 0 H THR A 74 2.830 0.477 5.699 1.00 3.11 H new ATOM 0 HA THR A 74 -0.090 0.484 5.403 1.00 34.04 H new ATOM 0 HB THR A 74 1.464 2.289 7.310 1.00 74.35 H new ATOM 0 HG1 THR A 74 0.235 1.137 8.952 1.00 4.12 H new ATOM 0 HG21 THR A 74 -0.769 3.089 8.036 1.00 23.44 H new ATOM 0 HG22 THR A 74 -0.474 3.425 6.314 1.00 23.44 H new ATOM 0 HG23 THR A 74 -1.529 2.073 6.789 1.00 23.44 H new ATOM 1229 N LEU A 75 0.103 2.316 3.734 1.00 44.14 N ATOM 1230 CA LEU A 75 0.139 3.406 2.754 1.00 32.25 C ATOM 1231 C LEU A 75 -0.839 4.527 3.144 1.00 42.33 C ATOM 1232 O LEU A 75 -1.998 4.266 3.476 1.00 22.43 O ATOM 1233 CB LEU A 75 -0.210 2.881 1.355 1.00 23.11 C ATOM 1234 CG LEU A 75 -0.227 3.947 0.241 1.00 45.10 C ATOM 1235 CD1 LEU A 75 1.162 4.553 0.043 1.00 72.50 C ATOM 1236 CD2 LEU A 75 -0.750 3.361 -1.068 1.00 74.13 C ATOM 0 H LEU A 75 -0.704 1.699 3.639 1.00 44.14 H new ATOM 0 HA LEU A 75 1.150 3.812 2.742 1.00 32.25 H new ATOM 0 HB2 LEU A 75 0.508 2.107 1.085 1.00 23.11 H new ATOM 0 HB3 LEU A 75 -1.190 2.406 1.396 1.00 23.11 H new ATOM 0 HG LEU A 75 -0.904 4.743 0.551 1.00 45.10 H new ATOM 0 HD11 LEU A 75 1.123 5.302 -0.748 1.00 72.50 H new ATOM 0 HD12 LEU A 75 1.490 5.022 0.971 1.00 72.50 H new ATOM 0 HD13 LEU A 75 1.865 3.768 -0.235 1.00 72.50 H new ATOM 0 HD21 LEU A 75 -0.752 4.133 -1.837 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -0.107 2.539 -1.381 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -1.765 2.992 -0.922 1.00 74.13 H new ATOM 1248 N LEU A 76 -0.365 5.768 3.096 1.00 42.13 N ATOM 1249 CA LEU A 76 -1.170 6.938 3.471 1.00 30.51 C ATOM 1250 C LEU A 76 -1.436 7.838 2.255 1.00 1.41 C ATOM 1251 O LEU A 76 -0.507 8.413 1.681 1.00 63.21 O ATOM 1252 CB LEU A 76 -0.441 7.748 4.556 1.00 54.20 C ATOM 1253 CG LEU A 76 -0.024 6.956 5.807 1.00 43.35 C ATOM 1254 CD1 LEU A 76 0.808 7.824 6.748 1.00 72.32 C ATOM 1255 CD2 LEU A 76 -1.248 6.397 6.526 1.00 22.44 C ATOM 0 H LEU A 76 0.583 5.996 2.798 1.00 42.13 H new ATOM 0 HA LEU A 76 -2.126 6.582 3.855 1.00 30.51 H new ATOM 0 HB2 LEU A 76 0.451 8.192 4.115 1.00 54.20 H new ATOM 0 HB3 LEU A 76 -1.086 8.570 4.866 1.00 54.20 H new ATOM 0 HG LEU A 76 0.594 6.117 5.486 1.00 43.35 H new ATOM 0 HD11 LEU A 76 1.091 7.242 7.625 1.00 72.32 H new ATOM 0 HD12 LEU A 76 1.706 8.162 6.232 1.00 72.32 H new ATOM 0 HD13 LEU A 76 0.221 8.688 7.060 1.00 72.32 H new ATOM 0 HD21 LEU A 76 -0.930 5.841 7.408 1.00 22.44 H new ATOM 0 HD22 LEU A 76 -1.898 7.218 6.830 1.00 22.44 H new ATOM 0 HD23 LEU A 76 -1.792 5.733 5.855 1.00 22.44 H new ATOM 1267 N ILE A 77 -2.702 7.961 1.871 1.00 51.54 N ATOM 1268 CA ILE A 77 -3.091 8.789 0.722 1.00 13.42 C ATOM 1269 C ILE A 77 -3.905 10.008 1.183 1.00 14.23 C ATOM 1270 O ILE A 77 -5.018 9.870 1.687 1.00 14.01 O ATOM 1271 CB ILE A 77 -3.910 7.960 -0.300 1.00 62.05 C ATOM 1272 CG1 ILE A 77 -3.084 6.747 -0.769 1.00 25.41 C ATOM 1273 CG2 ILE A 77 -4.339 8.827 -1.487 1.00 44.41 C ATOM 1274 CD1 ILE A 77 -3.820 5.812 -1.704 1.00 0.03 C ATOM 0 H ILE A 77 -3.483 7.498 2.337 1.00 51.54 H new ATOM 0 HA ILE A 77 -2.180 9.139 0.236 1.00 13.42 H new ATOM 0 HB ILE A 77 -4.816 7.598 0.185 1.00 62.05 H new ATOM 0 HG12 ILE A 77 -2.185 7.107 -1.269 1.00 25.41 H new ATOM 0 HG13 ILE A 77 -2.759 6.184 0.106 1.00 25.41 H new ATOM 0 HG21 ILE A 77 -4.912 8.223 -2.190 1.00 44.41 H new ATOM 0 HG22 ILE A 77 -4.956 9.652 -1.131 1.00 44.41 H new ATOM 0 HG23 ILE A 77 -3.455 9.224 -1.986 1.00 44.41 H new ATOM 0 HD11 ILE A 77 -3.165 4.987 -1.984 1.00 0.03 H new ATOM 0 HD12 ILE A 77 -4.705 5.419 -1.203 1.00 0.03 H new ATOM 0 HD13 ILE A 77 -4.121 6.356 -2.599 1.00 0.03 H new ATOM 1286 N LYS A 78 -3.333 11.194 1.006 1.00 71.33 N ATOM 1287 CA LYS A 78 -3.920 12.447 1.501 1.00 64.45 C ATOM 1288 C LYS A 78 -4.376 13.348 0.340 1.00 3.03 C ATOM 1289 O LYS A 78 -3.812 13.289 -0.754 1.00 22.21 O ATOM 1290 CB LYS A 78 -2.877 13.203 2.340 1.00 0.13 C ATOM 1291 CG LYS A 78 -2.184 12.343 3.396 1.00 14.13 C ATOM 1292 CD LYS A 78 -1.073 13.114 4.109 1.00 44.32 C ATOM 1293 CE LYS A 78 -0.224 12.206 4.992 1.00 63.42 C ATOM 1294 NZ LYS A 78 0.814 12.967 5.735 1.00 13.44 N ATOM 0 H LYS A 78 -2.448 11.320 0.515 1.00 71.33 H new ATOM 0 HA LYS A 78 -4.790 12.197 2.108 1.00 64.45 H new ATOM 0 HB2 LYS A 78 -2.122 13.619 1.673 1.00 0.13 H new ATOM 0 HB3 LYS A 78 -3.364 14.044 2.834 1.00 0.13 H new ATOM 0 HG2 LYS A 78 -2.917 12.002 4.127 1.00 14.13 H new ATOM 0 HG3 LYS A 78 -1.766 11.454 2.925 1.00 14.13 H new ATOM 0 HD2 LYS A 78 -0.436 13.599 3.369 1.00 44.32 H new ATOM 0 HD3 LYS A 78 -1.513 13.904 4.718 1.00 44.32 H new ATOM 0 HE2 LYS A 78 -0.867 11.684 5.700 1.00 63.42 H new ATOM 0 HE3 LYS A 78 0.255 11.445 4.376 1.00 63.42 H new ATOM 0 HZ1 LYS A 78 1.369 12.313 6.323 1.00 13.44 H new ATOM 0 HZ2 LYS A 78 1.444 13.445 5.060 1.00 13.44 H new ATOM 0 HZ3 LYS A 78 0.356 13.676 6.343 1.00 13.44 H new ATOM 1308 N ASP A 79 -5.392 14.179 0.592 1.00 70.15 N ATOM 1309 CA ASP A 79 -5.849 15.184 -0.382 1.00 41.40 C ATOM 1310 C ASP A 79 -6.291 14.523 -1.708 1.00 61.20 C ATOM 1311 O ASP A 79 -6.190 15.112 -2.789 1.00 73.32 O ATOM 1312 CB ASP A 79 -4.722 16.210 -0.617 1.00 12.13 C ATOM 1313 CG ASP A 79 -5.230 17.554 -1.106 1.00 71.43 C ATOM 1314 OD1 ASP A 79 -5.934 18.238 -0.334 1.00 72.34 O ATOM 1315 OD2 ASP A 79 -4.897 17.957 -2.238 1.00 35.21 O ATOM 0 H ASP A 79 -5.918 14.178 1.466 1.00 70.15 H new ATOM 0 HA ASP A 79 -6.722 15.698 0.021 1.00 41.40 H new ATOM 0 HB2 ASP A 79 -4.170 16.353 0.312 1.00 12.13 H new ATOM 0 HB3 ASP A 79 -4.019 15.807 -1.346 1.00 12.13 H new ATOM 1320 N VAL A 80 -6.811 13.302 -1.602 1.00 3.22 N ATOM 1321 CA VAL A 80 -7.200 12.510 -2.772 1.00 2.12 C ATOM 1322 C VAL A 80 -8.587 12.930 -3.300 1.00 41.31 C ATOM 1323 O VAL A 80 -9.530 13.107 -2.526 1.00 74.21 O ATOM 1324 CB VAL A 80 -7.202 10.995 -2.416 1.00 40.52 C ATOM 1325 CG1 VAL A 80 -8.361 10.627 -1.501 1.00 20.41 C ATOM 1326 CG2 VAL A 80 -7.222 10.128 -3.663 1.00 72.15 C ATOM 0 H VAL A 80 -6.975 12.834 -0.710 1.00 3.22 H new ATOM 0 HA VAL A 80 -6.470 12.695 -3.560 1.00 2.12 H new ATOM 0 HB VAL A 80 -6.274 10.802 -1.878 1.00 40.52 H new ATOM 0 HG11 VAL A 80 -8.324 9.561 -1.278 1.00 20.41 H new ATOM 0 HG12 VAL A 80 -8.287 11.195 -0.573 1.00 20.41 H new ATOM 0 HG13 VAL A 80 -9.304 10.862 -1.995 1.00 20.41 H new ATOM 0 HG21 VAL A 80 -7.223 9.077 -3.375 1.00 72.15 H new ATOM 0 HG22 VAL A 80 -8.118 10.346 -4.243 1.00 72.15 H new ATOM 0 HG23 VAL A 80 -6.339 10.338 -4.267 1.00 72.15 H new ATOM 1336 N ASN A 81 -8.716 13.118 -4.615 1.00 14.21 N ATOM 1337 CA ASN A 81 -10.026 13.438 -5.205 1.00 61.41 C ATOM 1338 C ASN A 81 -10.417 12.426 -6.294 1.00 1.52 C ATOM 1339 O ASN A 81 -9.701 11.456 -6.537 1.00 60.22 O ATOM 1340 CB ASN A 81 -10.066 14.885 -5.740 1.00 51.23 C ATOM 1341 CG ASN A 81 -9.428 15.100 -7.108 1.00 22.51 C ATOM 1342 OD1 ASN A 81 -8.427 14.330 -7.470 1.00 43.02 O flip ATOM 1343 ND2 ASN A 81 -9.854 15.971 -7.855 1.00 54.33 N flip ATOM 0 H ASN A 81 -7.948 13.057 -5.284 1.00 14.21 H new ATOM 0 HA ASN A 81 -10.767 13.363 -4.409 1.00 61.41 H new ATOM 0 HB2 ASN A 81 -11.106 15.206 -5.790 1.00 51.23 H new ATOM 0 HB3 ASN A 81 -9.566 15.533 -5.020 1.00 51.23 H new ATOM 0 HD21 ASN A 81 -10.632 16.561 -7.559 1.00 54.33 H new ATOM 0 HD22 ASN A 81 -9.431 16.107 -8.773 1.00 54.33 H new ATOM 1350 N LYS A 82 -11.551 12.666 -6.950 1.00 51.23 N ATOM 1351 CA LYS A 82 -12.109 11.728 -7.942 1.00 63.24 C ATOM 1352 C LYS A 82 -11.090 11.314 -9.027 1.00 74.04 C ATOM 1353 O LYS A 82 -11.229 10.258 -9.644 1.00 61.33 O ATOM 1354 CB LYS A 82 -13.355 12.349 -8.590 1.00 62.24 C ATOM 1355 CG LYS A 82 -14.481 12.635 -7.599 1.00 13.24 C ATOM 1356 CD LYS A 82 -15.058 11.355 -6.997 1.00 31.42 C ATOM 1357 CE LYS A 82 -15.843 10.553 -8.026 1.00 24.22 C ATOM 1358 NZ LYS A 82 -16.262 9.226 -7.505 1.00 5.22 N ATOM 0 H LYS A 82 -12.111 13.508 -6.816 1.00 51.23 H new ATOM 0 HA LYS A 82 -12.376 10.816 -7.409 1.00 63.24 H new ATOM 0 HB2 LYS A 82 -13.072 13.279 -9.084 1.00 62.24 H new ATOM 0 HB3 LYS A 82 -13.725 11.677 -9.364 1.00 62.24 H new ATOM 0 HG2 LYS A 82 -14.106 13.274 -6.799 1.00 13.24 H new ATOM 0 HG3 LYS A 82 -15.274 13.188 -8.102 1.00 13.24 H new ATOM 0 HD2 LYS A 82 -14.249 10.743 -6.599 1.00 31.42 H new ATOM 0 HD3 LYS A 82 -15.708 11.608 -6.159 1.00 31.42 H new ATOM 0 HE2 LYS A 82 -16.725 11.118 -8.328 1.00 24.22 H new ATOM 0 HE3 LYS A 82 -15.233 10.415 -8.918 1.00 24.22 H new ATOM 0 HZ1 LYS A 82 -16.268 8.534 -8.282 1.00 5.22 H new ATOM 0 HZ2 LYS A 82 -15.595 8.915 -6.770 1.00 5.22 H new ATOM 0 HZ3 LYS A 82 -17.216 9.298 -7.098 1.00 5.22 H new ATOM 1372 N LYS A 83 -10.066 12.139 -9.248 1.00 41.44 N ATOM 1373 CA LYS A 83 -9.026 11.850 -10.251 1.00 21.42 C ATOM 1374 C LYS A 83 -8.084 10.709 -9.817 1.00 71.21 C ATOM 1375 O LYS A 83 -7.571 9.959 -10.651 1.00 12.34 O ATOM 1376 CB LYS A 83 -8.181 13.107 -10.510 1.00 21.41 C ATOM 1377 CG LYS A 83 -8.983 14.326 -10.951 1.00 30.33 C ATOM 1378 CD LYS A 83 -9.805 14.034 -12.200 1.00 62.10 C ATOM 1379 CE LYS A 83 -10.514 15.277 -12.730 1.00 12.32 C ATOM 1380 NZ LYS A 83 -9.559 16.325 -13.178 1.00 31.42 N ATOM 0 H LYS A 83 -9.929 13.017 -8.747 1.00 41.44 H new ATOM 0 HA LYS A 83 -9.545 11.537 -11.157 1.00 21.42 H new ATOM 0 HB2 LYS A 83 -7.635 13.356 -9.600 1.00 21.41 H new ATOM 0 HB3 LYS A 83 -7.439 12.880 -11.275 1.00 21.41 H new ATOM 0 HG2 LYS A 83 -9.645 14.638 -10.144 1.00 30.33 H new ATOM 0 HG3 LYS A 83 -8.305 15.157 -11.147 1.00 30.33 H new ATOM 0 HD2 LYS A 83 -9.153 13.632 -12.975 1.00 62.10 H new ATOM 0 HD3 LYS A 83 -10.544 13.265 -11.974 1.00 62.10 H new ATOM 0 HE2 LYS A 83 -11.159 14.997 -13.563 1.00 12.32 H new ATOM 0 HE3 LYS A 83 -11.158 15.685 -11.951 1.00 12.32 H new ATOM 0 HZ1 LYS A 83 -10.071 17.056 -13.711 1.00 31.42 H new ATOM 0 HZ2 LYS A 83 -9.103 16.757 -12.349 1.00 31.42 H new ATOM 0 HZ3 LYS A 83 -8.834 15.896 -13.788 1.00 31.42 H new ATOM 1394 N ASP A 84 -7.879 10.577 -8.511 1.00 54.05 N ATOM 1395 CA ASP A 84 -6.806 9.735 -7.967 1.00 75.33 C ATOM 1396 C ASP A 84 -7.260 8.311 -7.594 1.00 25.33 C ATOM 1397 O ASP A 84 -6.442 7.504 -7.155 1.00 44.31 O ATOM 1398 CB ASP A 84 -6.209 10.414 -6.737 1.00 13.35 C ATOM 1399 CG ASP A 84 -5.806 11.849 -7.009 1.00 34.30 C ATOM 1400 OD1 ASP A 84 -4.863 12.066 -7.795 1.00 71.32 O ATOM 1401 OD2 ASP A 84 -6.447 12.766 -6.450 1.00 34.13 O ATOM 0 H ASP A 84 -8.443 11.044 -7.801 1.00 54.05 H new ATOM 0 HA ASP A 84 -6.065 9.625 -8.759 1.00 75.33 H new ATOM 0 HB2 ASP A 84 -6.935 10.391 -5.924 1.00 13.35 H new ATOM 0 HB3 ASP A 84 -5.337 9.852 -6.402 1.00 13.35 H new ATOM 1406 N ALA A 85 -8.532 7.979 -7.785 1.00 51.31 N ATOM 1407 CA ALA A 85 -9.025 6.658 -7.370 1.00 60.43 C ATOM 1408 C ALA A 85 -8.653 5.561 -8.385 1.00 14.54 C ATOM 1409 O ALA A 85 -8.619 5.793 -9.596 1.00 52.31 O ATOM 1410 CB ALA A 85 -10.535 6.701 -7.183 1.00 64.13 C ATOM 0 H ALA A 85 -9.231 8.586 -8.214 1.00 51.31 H new ATOM 0 HA ALA A 85 -8.545 6.410 -6.423 1.00 60.43 H new ATOM 0 HB1 ALA A 85 -10.892 5.718 -6.876 1.00 64.13 H new ATOM 0 HB2 ALA A 85 -10.786 7.434 -6.416 1.00 64.13 H new ATOM 0 HB3 ALA A 85 -11.010 6.982 -8.123 1.00 64.13 H new ATOM 1416 N GLY A 86 -8.365 4.365 -7.869 1.00 73.01 N ATOM 1417 CA GLY A 86 -7.983 3.240 -8.718 1.00 64.35 C ATOM 1418 C GLY A 86 -7.664 1.977 -7.918 1.00 33.35 C ATOM 1419 O GLY A 86 -7.870 1.934 -6.703 1.00 1.33 O ATOM 0 H GLY A 86 -8.389 4.153 -6.872 1.00 73.01 H new ATOM 0 HA2 GLY A 86 -8.792 3.027 -9.417 1.00 64.35 H new ATOM 0 HA3 GLY A 86 -7.113 3.518 -9.312 1.00 64.35 H new ATOM 1423 N TRP A 87 -7.162 0.946 -8.596 1.00 2.02 N ATOM 1424 CA TRP A 87 -6.676 -0.268 -7.921 1.00 51.23 C ATOM 1425 C TRP A 87 -5.166 -0.182 -7.625 1.00 63.24 C ATOM 1426 O TRP A 87 -4.347 -0.042 -8.537 1.00 20.14 O ATOM 1427 CB TRP A 87 -6.977 -1.514 -8.768 1.00 25.24 C ATOM 1428 CG TRP A 87 -8.381 -2.024 -8.609 1.00 12.32 C ATOM 1429 CD1 TRP A 87 -9.520 -1.492 -9.143 1.00 70.14 C ATOM 1430 CD2 TRP A 87 -8.791 -3.173 -7.859 1.00 12.42 C ATOM 1431 NE1 TRP A 87 -10.609 -2.239 -8.769 1.00 55.21 N ATOM 1432 CE2 TRP A 87 -10.187 -3.276 -7.983 1.00 71.15 C ATOM 1433 CE3 TRP A 87 -8.107 -4.123 -7.095 1.00 1.45 C ATOM 1434 CZ2 TRP A 87 -10.915 -4.292 -7.372 1.00 63.42 C ATOM 1435 CZ3 TRP A 87 -8.831 -5.135 -6.490 1.00 31.00 C ATOM 1436 CH2 TRP A 87 -10.224 -5.212 -6.632 1.00 12.31 C ATOM 0 H TRP A 87 -7.079 0.922 -9.612 1.00 2.02 H new ATOM 0 HA TRP A 87 -7.203 -0.349 -6.970 1.00 51.23 H new ATOM 0 HB2 TRP A 87 -6.801 -1.281 -9.818 1.00 25.24 H new ATOM 0 HB3 TRP A 87 -6.279 -2.306 -8.496 1.00 25.24 H new ATOM 0 HD1 TRP A 87 -9.558 -0.612 -9.768 1.00 70.14 H new ATOM 0 HE1 TRP A 87 -11.576 -2.051 -9.034 1.00 55.21 H new ATOM 0 HE3 TRP A 87 -7.035 -4.068 -6.979 1.00 1.45 H new ATOM 0 HZ2 TRP A 87 -11.988 -4.352 -7.478 1.00 63.42 H new ATOM 0 HZ3 TRP A 87 -8.315 -5.877 -5.899 1.00 31.00 H new ATOM 0 HH2 TRP A 87 -10.762 -6.013 -6.148 1.00 12.31 H new ATOM 1447 N TYR A 88 -4.812 -0.267 -6.341 1.00 65.34 N ATOM 1448 CA TYR A 88 -3.413 -0.182 -5.896 1.00 23.00 C ATOM 1449 C TYR A 88 -2.797 -1.574 -5.669 1.00 15.24 C ATOM 1450 O TYR A 88 -3.223 -2.319 -4.791 1.00 24.23 O ATOM 1451 CB TYR A 88 -3.318 0.643 -4.604 1.00 13.13 C ATOM 1452 CG TYR A 88 -3.595 2.122 -4.804 1.00 61.21 C ATOM 1453 CD1 TYR A 88 -4.878 2.581 -5.085 1.00 43.25 C ATOM 1454 CD2 TYR A 88 -2.570 3.058 -4.720 1.00 4.35 C ATOM 1455 CE1 TYR A 88 -5.128 3.926 -5.279 1.00 71.20 C ATOM 1456 CE2 TYR A 88 -2.813 4.404 -4.908 1.00 71.14 C ATOM 1457 CZ TYR A 88 -4.094 4.833 -5.189 1.00 31.22 C ATOM 1458 OH TYR A 88 -4.336 6.172 -5.387 1.00 22.42 O ATOM 0 H TYR A 88 -5.480 -0.396 -5.581 1.00 65.34 H new ATOM 0 HA TYR A 88 -2.848 0.309 -6.688 1.00 23.00 H new ATOM 0 HB2 TYR A 88 -4.025 0.245 -3.876 1.00 13.13 H new ATOM 0 HB3 TYR A 88 -2.321 0.523 -4.179 1.00 13.13 H new ATOM 0 HD1 TYR A 88 -5.692 1.874 -5.153 1.00 43.25 H new ATOM 0 HD2 TYR A 88 -1.565 2.726 -4.504 1.00 4.35 H new ATOM 0 HE1 TYR A 88 -6.129 4.265 -5.500 1.00 71.20 H new ATOM 0 HE2 TYR A 88 -2.005 5.117 -4.836 1.00 71.14 H new ATOM 0 HH TYR A 88 -5.093 6.280 -6.000 1.00 22.42 H new ATOM 1468 N THR A 89 -1.776 -1.906 -6.449 1.00 4.24 N ATOM 1469 CA THR A 89 -1.096 -3.202 -6.342 1.00 11.42 C ATOM 1470 C THR A 89 0.181 -3.084 -5.502 1.00 55.31 C ATOM 1471 O THR A 89 1.054 -2.274 -5.809 1.00 34.44 O ATOM 1472 CB THR A 89 -0.708 -3.752 -7.739 1.00 13.14 C ATOM 1473 OG1 THR A 89 -1.865 -3.842 -8.589 1.00 32.13 O ATOM 1474 CG2 THR A 89 -0.048 -5.125 -7.631 1.00 34.23 C ATOM 0 H THR A 89 -1.394 -1.294 -7.170 1.00 4.24 H new ATOM 0 HA THR A 89 -1.796 -3.886 -5.861 1.00 11.42 H new ATOM 0 HB THR A 89 0.007 -3.055 -8.176 1.00 13.14 H new ATOM 0 HG1 THR A 89 -1.820 -4.667 -9.116 1.00 32.13 H new ATOM 0 HG21 THR A 89 0.212 -5.483 -8.627 1.00 34.23 H new ATOM 0 HG22 THR A 89 0.855 -5.048 -7.026 1.00 34.23 H new ATOM 0 HG23 THR A 89 -0.740 -5.825 -7.163 1.00 34.23 H new ATOM 1482 N VAL A 90 0.283 -3.891 -4.447 1.00 21.03 N ATOM 1483 CA VAL A 90 1.463 -3.886 -3.572 1.00 10.23 C ATOM 1484 C VAL A 90 2.336 -5.140 -3.780 1.00 64.40 C ATOM 1485 O VAL A 90 1.889 -6.274 -3.584 1.00 33.31 O ATOM 1486 CB VAL A 90 1.061 -3.767 -2.075 1.00 22.15 C ATOM 1487 CG1 VAL A 90 0.072 -4.862 -1.671 1.00 2.13 C ATOM 1488 CG2 VAL A 90 2.300 -3.790 -1.177 1.00 72.31 C ATOM 0 H VAL A 90 -0.437 -4.560 -4.174 1.00 21.03 H new ATOM 0 HA VAL A 90 2.050 -3.010 -3.847 1.00 10.23 H new ATOM 0 HB VAL A 90 0.560 -2.808 -1.942 1.00 22.15 H new ATOM 0 HG11 VAL A 90 -0.187 -4.748 -0.618 1.00 2.13 H new ATOM 0 HG12 VAL A 90 -0.830 -4.780 -2.278 1.00 2.13 H new ATOM 0 HG13 VAL A 90 0.527 -5.840 -1.829 1.00 2.13 H new ATOM 0 HG21 VAL A 90 1.995 -3.705 -0.134 1.00 72.31 H new ATOM 0 HG22 VAL A 90 2.838 -4.727 -1.323 1.00 72.31 H new ATOM 0 HG23 VAL A 90 2.951 -2.954 -1.434 1.00 72.31 H new ATOM 1498 N SER A 91 3.582 -4.921 -4.194 1.00 72.22 N ATOM 1499 CA SER A 91 4.559 -6.006 -4.379 1.00 74.12 C ATOM 1500 C SER A 91 5.668 -5.945 -3.319 1.00 33.15 C ATOM 1501 O SER A 91 6.355 -4.931 -3.183 1.00 64.30 O ATOM 1502 CB SER A 91 5.180 -5.938 -5.786 1.00 2.24 C ATOM 1503 OG SER A 91 4.211 -6.190 -6.795 1.00 11.32 O ATOM 0 H SER A 91 3.947 -3.994 -4.411 1.00 72.22 H new ATOM 0 HA SER A 91 4.027 -6.951 -4.266 1.00 74.12 H new ATOM 0 HB2 SER A 91 5.623 -4.954 -5.942 1.00 2.24 H new ATOM 0 HB3 SER A 91 5.987 -6.667 -5.865 1.00 2.24 H new ATOM 0 HG SER A 91 4.636 -6.138 -7.677 1.00 11.32 H new ATOM 1509 N ALA A 92 5.830 -7.030 -2.564 1.00 33.04 N ATOM 1510 CA ALA A 92 6.893 -7.123 -1.555 1.00 41.31 C ATOM 1511 C ALA A 92 7.966 -8.141 -1.974 1.00 15.24 C ATOM 1512 O ALA A 92 7.687 -9.340 -2.085 1.00 23.31 O ATOM 1513 CB ALA A 92 6.301 -7.499 -0.203 1.00 22.11 C ATOM 0 H ALA A 92 5.240 -7.860 -2.629 1.00 33.04 H new ATOM 0 HA ALA A 92 7.371 -6.147 -1.472 1.00 41.31 H new ATOM 0 HB1 ALA A 92 7.098 -7.565 0.538 1.00 22.11 H new ATOM 0 HB2 ALA A 92 5.583 -6.739 0.104 1.00 22.11 H new ATOM 0 HB3 ALA A 92 5.798 -8.463 -0.281 1.00 22.11 H new ATOM 1519 N VAL A 93 9.191 -7.665 -2.203 1.00 4.14 N ATOM 1520 CA VAL A 93 10.275 -8.533 -2.690 1.00 21.31 C ATOM 1521 C VAL A 93 11.447 -8.663 -1.690 1.00 42.13 C ATOM 1522 O VAL A 93 12.117 -7.685 -1.347 1.00 72.22 O ATOM 1523 CB VAL A 93 10.807 -8.047 -4.067 1.00 24.54 C ATOM 1524 CG1 VAL A 93 11.322 -6.610 -3.985 1.00 10.22 C ATOM 1525 CG2 VAL A 93 11.884 -8.993 -4.605 1.00 70.23 C ATOM 0 H VAL A 93 9.460 -6.691 -2.062 1.00 4.14 H new ATOM 0 HA VAL A 93 9.835 -9.524 -2.801 1.00 21.31 H new ATOM 0 HB VAL A 93 9.974 -8.058 -4.769 1.00 24.54 H new ATOM 0 HG11 VAL A 93 11.688 -6.298 -4.963 1.00 10.22 H new ATOM 0 HG12 VAL A 93 10.512 -5.950 -3.673 1.00 10.22 H new ATOM 0 HG13 VAL A 93 12.134 -6.555 -3.260 1.00 10.22 H new ATOM 0 HG21 VAL A 93 12.239 -8.629 -5.569 1.00 70.23 H new ATOM 0 HG22 VAL A 93 12.717 -9.033 -3.903 1.00 70.23 H new ATOM 0 HG23 VAL A 93 11.464 -9.991 -4.726 1.00 70.23 H new ATOM 1535 N ASN A 94 11.652 -9.887 -1.204 1.00 35.42 N ATOM 1536 CA ASN A 94 12.812 -10.243 -0.375 1.00 75.11 C ATOM 1537 C ASN A 94 13.723 -11.209 -1.159 1.00 12.35 C ATOM 1538 O ASN A 94 13.246 -11.937 -2.032 1.00 44.54 O ATOM 1539 CB ASN A 94 12.318 -10.886 0.939 1.00 31.00 C ATOM 1540 CG ASN A 94 13.423 -11.177 1.948 1.00 43.33 C ATOM 1541 OD1 ASN A 94 14.558 -11.465 1.596 1.00 52.12 O ATOM 1542 ND2 ASN A 94 13.091 -11.111 3.219 1.00 70.13 N ATOM 0 H ASN A 94 11.016 -10.667 -1.373 1.00 35.42 H new ATOM 0 HA ASN A 94 13.389 -9.352 -0.128 1.00 75.11 H new ATOM 0 HB2 ASN A 94 11.585 -10.224 1.401 1.00 31.00 H new ATOM 0 HB3 ASN A 94 11.803 -11.817 0.703 1.00 31.00 H new ATOM 0 HD21 ASN A 94 13.788 -11.302 3.939 1.00 70.13 H new ATOM 0 HD22 ASN A 94 12.137 -10.868 3.485 1.00 70.13 H new ATOM 1549 N GLU A 95 15.024 -11.227 -0.860 1.00 23.21 N ATOM 1550 CA GLU A 95 15.943 -12.165 -1.525 1.00 44.05 C ATOM 1551 C GLU A 95 15.516 -13.623 -1.274 1.00 74.45 C ATOM 1552 O GLU A 95 15.808 -14.519 -2.068 1.00 72.51 O ATOM 1553 CB GLU A 95 17.391 -11.953 -1.046 1.00 52.51 C ATOM 1554 CG GLU A 95 17.616 -12.250 0.436 1.00 1.05 C ATOM 1555 CD GLU A 95 19.093 -12.287 0.807 1.00 1.44 C ATOM 1556 OE1 GLU A 95 19.713 -13.367 0.673 1.00 44.12 O ATOM 1557 OE2 GLU A 95 19.641 -11.247 1.225 1.00 20.04 O ATOM 0 H GLU A 95 15.464 -10.614 -0.173 1.00 23.21 H new ATOM 0 HA GLU A 95 15.898 -11.966 -2.596 1.00 44.05 H new ATOM 0 HB2 GLU A 95 18.052 -12.588 -1.636 1.00 52.51 H new ATOM 0 HB3 GLU A 95 17.679 -10.921 -1.245 1.00 52.51 H new ATOM 0 HG2 GLU A 95 17.113 -11.491 1.036 1.00 1.05 H new ATOM 0 HG3 GLU A 95 17.158 -13.207 0.685 1.00 1.05 H new ATOM 1564 N ALA A 96 14.845 -13.849 -0.148 1.00 31.43 N ATOM 1565 CA ALA A 96 14.303 -15.167 0.197 1.00 62.33 C ATOM 1566 C ALA A 96 13.091 -15.549 -0.677 1.00 4.33 C ATOM 1567 O ALA A 96 12.883 -16.722 -0.993 1.00 52.21 O ATOM 1568 CB ALA A 96 13.922 -15.196 1.673 1.00 35.32 C ATOM 0 H ALA A 96 14.660 -13.129 0.551 1.00 31.43 H new ATOM 0 HA ALA A 96 15.081 -15.905 0.003 1.00 62.33 H new ATOM 0 HB1 ALA A 96 13.520 -16.177 1.926 1.00 35.32 H new ATOM 0 HB2 ALA A 96 14.805 -14.999 2.281 1.00 35.32 H new ATOM 0 HB3 ALA A 96 13.169 -14.433 1.869 1.00 35.32 H new ATOM 1574 N GLY A 97 12.291 -14.554 -1.064 1.00 1.31 N ATOM 1575 CA GLY A 97 11.086 -14.821 -1.850 1.00 4.30 C ATOM 1576 C GLY A 97 10.282 -13.560 -2.169 1.00 2.23 C ATOM 1577 O GLY A 97 10.566 -12.484 -1.636 1.00 43.45 O ATOM 0 H GLY A 97 12.452 -13.570 -0.850 1.00 1.31 H new ATOM 0 HA2 GLY A 97 11.369 -15.309 -2.783 1.00 4.30 H new ATOM 0 HA3 GLY A 97 10.452 -15.520 -1.305 1.00 4.30 H new ATOM 1581 N VAL A 98 9.265 -13.690 -3.024 1.00 24.10 N ATOM 1582 CA VAL A 98 8.443 -12.538 -3.439 1.00 71.21 C ATOM 1583 C VAL A 98 6.931 -12.850 -3.382 1.00 13.33 C ATOM 1584 O VAL A 98 6.492 -13.948 -3.728 1.00 33.22 O ATOM 1585 CB VAL A 98 8.823 -12.072 -4.873 1.00 23.21 C ATOM 1586 CG1 VAL A 98 8.619 -13.193 -5.891 1.00 55.24 C ATOM 1587 CG2 VAL A 98 8.033 -10.823 -5.272 1.00 30.32 C ATOM 0 H VAL A 98 8.987 -14.577 -3.445 1.00 24.10 H new ATOM 0 HA VAL A 98 8.651 -11.736 -2.730 1.00 71.21 H new ATOM 0 HB VAL A 98 9.882 -11.814 -4.867 1.00 23.21 H new ATOM 0 HG11 VAL A 98 8.893 -12.837 -6.884 1.00 55.24 H new ATOM 0 HG12 VAL A 98 9.246 -14.044 -5.625 1.00 55.24 H new ATOM 0 HG13 VAL A 98 7.573 -13.498 -5.891 1.00 55.24 H new ATOM 0 HG21 VAL A 98 8.318 -10.518 -6.279 1.00 30.32 H new ATOM 0 HG22 VAL A 98 6.966 -11.044 -5.248 1.00 30.32 H new ATOM 0 HG23 VAL A 98 8.252 -10.016 -4.573 1.00 30.32 H new ATOM 1597 N THR A 99 6.145 -11.867 -2.931 1.00 23.21 N ATOM 1598 CA THR A 99 4.677 -11.995 -2.851 1.00 20.20 C ATOM 1599 C THR A 99 3.981 -10.670 -3.216 1.00 51.54 C ATOM 1600 O THR A 99 4.490 -9.590 -2.913 1.00 21.23 O ATOM 1601 CB THR A 99 4.213 -12.444 -1.443 1.00 4.53 C ATOM 1602 OG1 THR A 99 2.779 -12.523 -1.395 1.00 64.15 O ATOM 1603 CG2 THR A 99 4.707 -11.486 -0.362 1.00 14.35 C ATOM 0 H THR A 99 6.500 -10.965 -2.612 1.00 23.21 H new ATOM 0 HA THR A 99 4.393 -12.762 -3.572 1.00 20.20 H new ATOM 0 HB THR A 99 4.641 -13.428 -1.252 1.00 4.53 H new ATOM 0 HG1 THR A 99 2.406 -11.626 -1.269 1.00 64.15 H new ATOM 0 HG21 THR A 99 4.364 -11.830 0.614 1.00 14.35 H new ATOM 0 HG22 THR A 99 5.797 -11.455 -0.373 1.00 14.35 H new ATOM 0 HG23 THR A 99 4.314 -10.488 -0.553 1.00 14.35 H new ATOM 1611 N THR A 100 2.834 -10.749 -3.892 1.00 10.31 N ATOM 1612 CA THR A 100 2.111 -9.539 -4.339 1.00 51.23 C ATOM 1613 C THR A 100 0.592 -9.638 -4.099 1.00 11.24 C ATOM 1614 O THR A 100 -0.001 -10.715 -4.198 1.00 13.15 O ATOM 1615 CB THR A 100 2.370 -9.259 -5.844 1.00 11.04 C ATOM 1616 OG1 THR A 100 3.774 -9.035 -6.068 1.00 5.24 O ATOM 1617 CG2 THR A 100 1.588 -8.046 -6.336 1.00 21.55 C ATOM 0 H THR A 100 2.381 -11.627 -4.145 1.00 10.31 H new ATOM 0 HA THR A 100 2.498 -8.715 -3.739 1.00 51.23 H new ATOM 0 HB THR A 100 2.034 -10.134 -6.401 1.00 11.04 H new ATOM 0 HG1 THR A 100 3.908 -8.135 -6.432 1.00 5.24 H new ATOM 0 HG21 THR A 100 1.796 -7.883 -7.393 1.00 21.55 H new ATOM 0 HG22 THR A 100 0.521 -8.221 -6.199 1.00 21.55 H new ATOM 0 HG23 THR A 100 1.887 -7.165 -5.768 1.00 21.55 H new ATOM 1625 N CYS A 101 -0.032 -8.499 -3.786 1.00 1.41 N ATOM 1626 CA CYS A 101 -1.486 -8.432 -3.569 1.00 20.40 C ATOM 1627 C CYS A 101 -2.075 -7.133 -4.143 1.00 44.35 C ATOM 1628 O CYS A 101 -1.375 -6.128 -4.266 1.00 35.30 O ATOM 1629 CB CYS A 101 -1.809 -8.529 -2.071 1.00 44.55 C ATOM 1630 SG CYS A 101 -3.573 -8.430 -1.684 1.00 41.53 S ATOM 0 H CYS A 101 0.447 -7.605 -3.676 1.00 1.41 H new ATOM 0 HA CYS A 101 -1.938 -9.276 -4.090 1.00 20.40 H new ATOM 0 HB2 CYS A 101 -1.417 -9.470 -1.687 1.00 44.55 H new ATOM 0 HB3 CYS A 101 -1.288 -7.728 -1.546 1.00 44.55 H new ATOM 0 HG CYS A 101 -3.787 -8.933 -0.505 1.00 41.53 H new ATOM 1636 N ASN A 102 -3.360 -7.157 -4.504 1.00 13.43 N ATOM 1637 CA ASN A 102 -4.033 -5.976 -5.066 1.00 15.31 C ATOM 1638 C ASN A 102 -5.027 -5.347 -4.073 1.00 11.21 C ATOM 1639 O ASN A 102 -5.695 -6.048 -3.308 1.00 25.21 O ATOM 1640 CB ASN A 102 -4.755 -6.342 -6.370 1.00 22.20 C ATOM 1641 CG ASN A 102 -3.796 -6.667 -7.503 1.00 51.53 C ATOM 1642 OD1 ASN A 102 -2.678 -7.120 -7.286 1.00 1.33 O ATOM 1643 ND2 ASN A 102 -4.219 -6.428 -8.727 1.00 13.12 N ATOM 0 H ASN A 102 -3.958 -7.979 -4.419 1.00 13.43 H new ATOM 0 HA ASN A 102 -3.261 -5.235 -5.274 1.00 15.31 H new ATOM 0 HB2 ASN A 102 -5.404 -7.200 -6.192 1.00 22.20 H new ATOM 0 HB3 ASN A 102 -5.397 -5.513 -6.670 1.00 22.20 H new ATOM 0 HD21 ASN A 102 -3.611 -6.620 -9.523 1.00 13.12 H new ATOM 0 HD22 ASN A 102 -5.154 -6.051 -8.879 1.00 13.12 H new ATOM 1650 N THR A 103 -5.132 -4.018 -4.119 1.00 73.43 N ATOM 1651 CA THR A 103 -5.993 -3.250 -3.207 1.00 30.34 C ATOM 1652 C THR A 103 -6.929 -2.328 -4.001 1.00 53.44 C ATOM 1653 O THR A 103 -6.559 -1.823 -5.059 1.00 23.22 O ATOM 1654 CB THR A 103 -5.152 -2.370 -2.242 1.00 22.23 C ATOM 1655 OG1 THR A 103 -4.091 -3.142 -1.660 1.00 25.04 O ATOM 1656 CG2 THR A 103 -6.021 -1.787 -1.129 1.00 70.24 C ATOM 0 H THR A 103 -4.624 -3.440 -4.788 1.00 73.43 H new ATOM 0 HA THR A 103 -6.571 -3.971 -2.630 1.00 30.34 H new ATOM 0 HB THR A 103 -4.731 -1.550 -2.824 1.00 22.23 H new ATOM 0 HG1 THR A 103 -3.568 -2.575 -1.055 1.00 25.04 H new ATOM 0 HG21 THR A 103 -5.405 -1.176 -0.469 1.00 70.24 H new ATOM 0 HG22 THR A 103 -6.807 -1.171 -1.566 1.00 70.24 H new ATOM 0 HG23 THR A 103 -6.472 -2.598 -0.557 1.00 70.24 H new ATOM 1664 N ARG A 104 -8.138 -2.107 -3.500 1.00 15.50 N ATOM 1665 CA ARG A 104 -9.087 -1.202 -4.154 1.00 53.02 C ATOM 1666 C ARG A 104 -9.287 0.086 -3.342 1.00 23.22 C ATOM 1667 O ARG A 104 -9.422 0.048 -2.122 1.00 43.42 O ATOM 1668 CB ARG A 104 -10.436 -1.905 -4.359 1.00 51.40 C ATOM 1669 CG ARG A 104 -11.516 -1.004 -4.950 1.00 4.32 C ATOM 1670 CD ARG A 104 -12.803 -1.766 -5.231 1.00 24.32 C ATOM 1671 NE ARG A 104 -13.882 -0.871 -5.634 1.00 30.34 N ATOM 1672 CZ ARG A 104 -14.864 -1.208 -6.419 1.00 52.50 C ATOM 1673 NH1 ARG A 104 -14.940 -2.408 -6.903 1.00 3.04 N ATOM 1674 NH2 ARG A 104 -15.780 -0.346 -6.703 1.00 40.34 N ATOM 0 H ARG A 104 -8.488 -2.539 -2.645 1.00 15.50 H new ATOM 0 HA ARG A 104 -8.670 -0.929 -5.124 1.00 53.02 H new ATOM 0 HB2 ARG A 104 -10.292 -2.763 -5.016 1.00 51.40 H new ATOM 0 HB3 ARG A 104 -10.783 -2.292 -3.401 1.00 51.40 H new ATOM 0 HG2 ARG A 104 -11.722 -0.185 -4.261 1.00 4.32 H new ATOM 0 HG3 ARG A 104 -11.150 -0.557 -5.874 1.00 4.32 H new ATOM 0 HD2 ARG A 104 -12.627 -2.501 -6.017 1.00 24.32 H new ATOM 0 HD3 ARG A 104 -13.101 -2.318 -4.340 1.00 24.32 H new ATOM 0 HE ARG A 104 -13.866 0.084 -5.276 1.00 30.34 H new ATOM 0 HH11 ARG A 104 -14.226 -3.098 -6.670 1.00 3.04 H new ATOM 0 HH12 ARG A 104 -15.714 -2.662 -7.517 1.00 3.04 H new ATOM 0 HH21 ARG A 104 -15.733 0.595 -6.313 1.00 40.34 H new ATOM 0 HH22 ARG A 104 -16.551 -0.605 -7.318 1.00 40.34 H new ATOM 1688 N LEU A 105 -9.297 1.227 -4.026 1.00 0.32 N ATOM 1689 CA LEU A 105 -9.578 2.514 -3.381 1.00 21.42 C ATOM 1690 C LEU A 105 -10.584 3.332 -4.201 1.00 30.41 C ATOM 1691 O LEU A 105 -10.406 3.531 -5.406 1.00 30.12 O ATOM 1692 CB LEU A 105 -8.285 3.322 -3.197 1.00 71.01 C ATOM 1693 CG LEU A 105 -8.466 4.703 -2.537 1.00 2.12 C ATOM 1694 CD1 LEU A 105 -8.994 4.561 -1.108 1.00 24.25 C ATOM 1695 CD2 LEU A 105 -7.157 5.487 -2.554 1.00 24.13 C ATOM 0 H LEU A 105 -9.114 1.290 -5.027 1.00 0.32 H new ATOM 0 HA LEU A 105 -10.011 2.306 -2.402 1.00 21.42 H new ATOM 0 HB2 LEU A 105 -7.592 2.736 -2.594 1.00 71.01 H new ATOM 0 HB3 LEU A 105 -7.820 3.461 -4.173 1.00 71.01 H new ATOM 0 HG LEU A 105 -9.204 5.259 -3.116 1.00 2.12 H new ATOM 0 HD11 LEU A 105 -9.113 5.549 -0.664 1.00 24.25 H new ATOM 0 HD12 LEU A 105 -9.958 4.052 -1.125 1.00 24.25 H new ATOM 0 HD13 LEU A 105 -8.288 3.980 -0.515 1.00 24.25 H new ATOM 0 HD21 LEU A 105 -7.308 6.458 -2.083 1.00 24.13 H new ATOM 0 HD22 LEU A 105 -6.394 4.933 -2.007 1.00 24.13 H new ATOM 0 HD23 LEU A 105 -6.832 5.630 -3.585 1.00 24.13 H new ATOM 1707 N ASP A 106 -11.637 3.802 -3.541 1.00 43.33 N ATOM 1708 CA ASP A 106 -12.655 4.632 -4.190 1.00 43.03 C ATOM 1709 C ASP A 106 -12.699 6.043 -3.588 1.00 44.10 C ATOM 1710 O ASP A 106 -12.403 6.246 -2.407 1.00 45.11 O ATOM 1711 CB ASP A 106 -14.036 3.978 -4.062 1.00 51.52 C ATOM 1712 CG ASP A 106 -14.132 2.661 -4.807 1.00 5.13 C ATOM 1713 OD1 ASP A 106 -14.249 2.685 -6.053 1.00 32.02 O ATOM 1714 OD2 ASP A 106 -14.111 1.596 -4.152 1.00 1.13 O ATOM 0 H ASP A 106 -11.811 3.623 -2.552 1.00 43.33 H new ATOM 0 HA ASP A 106 -12.386 4.716 -5.243 1.00 43.03 H new ATOM 0 HB2 ASP A 106 -14.258 3.811 -3.008 1.00 51.52 H new ATOM 0 HB3 ASP A 106 -14.794 4.662 -4.443 1.00 51.52 H new ATOM 1719 N VAL A 107 -13.074 7.020 -4.408 1.00 10.13 N ATOM 1720 CA VAL A 107 -13.282 8.391 -3.939 1.00 0.13 C ATOM 1721 C VAL A 107 -14.699 8.864 -4.291 1.00 4.22 C ATOM 1722 O VAL A 107 -15.267 8.462 -5.307 1.00 0.51 O ATOM 1723 CB VAL A 107 -12.239 9.376 -4.535 1.00 33.34 C ATOM 1724 CG1 VAL A 107 -12.450 10.787 -3.984 1.00 32.42 C ATOM 1725 CG2 VAL A 107 -10.815 8.895 -4.253 1.00 70.34 C ATOM 0 H VAL A 107 -13.241 6.889 -5.406 1.00 10.13 H new ATOM 0 HA VAL A 107 -13.155 8.384 -2.856 1.00 0.13 H new ATOM 0 HB VAL A 107 -12.381 9.406 -5.615 1.00 33.34 H new ATOM 0 HG11 VAL A 107 -11.709 11.460 -4.415 1.00 32.42 H new ATOM 0 HG12 VAL A 107 -13.450 11.134 -4.245 1.00 32.42 H new ATOM 0 HG13 VAL A 107 -12.342 10.774 -2.899 1.00 32.42 H new ATOM 0 HG21 VAL A 107 -10.102 9.600 -4.680 1.00 70.34 H new ATOM 0 HG22 VAL A 107 -10.660 8.829 -3.176 1.00 70.34 H new ATOM 0 HG23 VAL A 107 -10.667 7.913 -4.702 1.00 70.34 H new ATOM 1735 N THR A 108 -15.266 9.713 -3.445 1.00 4.35 N ATOM 1736 CA THR A 108 -16.645 10.183 -3.607 1.00 53.40 C ATOM 1737 C THR A 108 -16.695 11.709 -3.712 1.00 35.04 C ATOM 1738 O THR A 108 -15.968 12.414 -3.010 1.00 44.12 O ATOM 1739 CB THR A 108 -17.531 9.719 -2.423 1.00 5.14 C ATOM 1740 OG1 THR A 108 -17.420 8.300 -2.256 1.00 11.42 O ATOM 1741 CG2 THR A 108 -18.995 10.092 -2.637 1.00 73.24 C ATOM 0 H THR A 108 -14.790 10.097 -2.629 1.00 4.35 H new ATOM 0 HA THR A 108 -17.031 9.751 -4.530 1.00 53.40 H new ATOM 0 HB THR A 108 -17.178 10.227 -1.526 1.00 5.14 H new ATOM 0 HG1 THR A 108 -17.228 8.095 -1.317 1.00 11.42 H new ATOM 0 HG21 THR A 108 -19.585 9.751 -1.787 1.00 73.24 H new ATOM 0 HG22 THR A 108 -19.085 11.174 -2.730 1.00 73.24 H new ATOM 0 HG23 THR A 108 -19.362 9.618 -3.547 1.00 73.24 H new ATOM 1749 N ALA A 109 -17.559 12.215 -4.585 1.00 50.42 N ATOM 1750 CA ALA A 109 -17.667 13.653 -4.809 1.00 41.42 C ATOM 1751 C ALA A 109 -18.397 14.346 -3.653 1.00 25.11 C ATOM 1752 O ALA A 109 -19.377 13.828 -3.116 1.00 72.32 O ATOM 1753 CB ALA A 109 -18.376 13.935 -6.129 1.00 51.40 C ATOM 0 H ALA A 109 -18.195 11.651 -5.149 1.00 50.42 H new ATOM 0 HA ALA A 109 -16.657 14.059 -4.858 1.00 41.42 H new ATOM 0 HB1 ALA A 109 -18.448 15.012 -6.280 1.00 51.40 H new ATOM 0 HB2 ALA A 109 -17.811 13.490 -6.948 1.00 51.40 H new ATOM 0 HB3 ALA A 109 -19.377 13.504 -6.104 1.00 51.40 H new ATOM 1759 N ARG A 110 -17.907 15.517 -3.271 1.00 41.11 N ATOM 1760 CA ARG A 110 -18.496 16.277 -2.160 1.00 75.13 C ATOM 1761 C ARG A 110 -19.774 17.014 -2.593 1.00 54.03 C ATOM 1762 O ARG A 110 -19.852 17.526 -3.712 1.00 73.35 O ATOM 1763 CB ARG A 110 -17.477 17.284 -1.607 1.00 71.55 C ATOM 1764 CG ARG A 110 -16.242 16.630 -0.998 1.00 62.55 C ATOM 1765 CD ARG A 110 -15.225 17.662 -0.527 1.00 25.45 C ATOM 1766 NE ARG A 110 -15.728 18.507 0.557 1.00 22.50 N ATOM 1767 CZ ARG A 110 -14.952 19.151 1.390 1.00 54.24 C ATOM 1768 NH1 ARG A 110 -13.665 19.030 1.309 1.00 51.44 N ATOM 1769 NH2 ARG A 110 -15.463 19.901 2.311 1.00 5.23 N ATOM 0 H ARG A 110 -17.104 15.967 -3.709 1.00 41.11 H new ATOM 0 HA ARG A 110 -18.765 15.565 -1.379 1.00 75.13 H new ATOM 0 HB2 ARG A 110 -17.166 17.952 -2.410 1.00 71.55 H new ATOM 0 HB3 ARG A 110 -17.962 17.901 -0.850 1.00 71.55 H new ATOM 0 HG2 ARG A 110 -16.540 16.004 -0.157 1.00 62.55 H new ATOM 0 HG3 ARG A 110 -15.778 15.974 -1.735 1.00 62.55 H new ATOM 0 HD2 ARG A 110 -14.324 17.149 -0.192 1.00 25.45 H new ATOM 0 HD3 ARG A 110 -14.939 18.292 -1.369 1.00 25.45 H new ATOM 0 HE ARG A 110 -16.738 18.599 0.669 1.00 22.50 H new ATOM 0 HH11 ARG A 110 -13.253 18.431 0.594 1.00 51.44 H new ATOM 0 HH12 ARG A 110 -13.063 19.534 1.961 1.00 51.44 H new ATOM 0 HH21 ARG A 110 -16.476 19.993 2.390 1.00 5.23 H new ATOM 0 HH22 ARG A 110 -14.853 20.401 2.958 1.00 5.23 H new ATOM 1783 N PRO A 111 -20.795 17.083 -1.708 1.00 23.34 N ATOM 1784 CA PRO A 111 -22.037 17.832 -1.989 1.00 44.12 C ATOM 1785 C PRO A 111 -21.794 19.352 -2.030 1.00 73.14 C ATOM 1786 O PRO A 111 -22.551 20.106 -2.639 1.00 21.43 O ATOM 1787 CB PRO A 111 -22.957 17.449 -0.818 1.00 35.14 C ATOM 1788 CG PRO A 111 -22.028 17.060 0.286 1.00 64.25 C ATOM 1789 CD PRO A 111 -20.829 16.436 -0.378 1.00 1.31 C ATOM 0 HA PRO A 111 -22.459 17.588 -2.964 1.00 44.12 H new ATOM 0 HB2 PRO A 111 -23.592 18.285 -0.524 1.00 35.14 H new ATOM 0 HB3 PRO A 111 -23.618 16.625 -1.087 1.00 35.14 H new ATOM 0 HG2 PRO A 111 -21.738 17.929 0.876 1.00 64.25 H new ATOM 0 HG3 PRO A 111 -22.506 16.357 0.968 1.00 64.25 H new ATOM 0 HD2 PRO A 111 -19.915 16.626 0.184 1.00 1.31 H new ATOM 0 HD3 PRO A 111 -20.934 15.354 -0.460 1.00 1.31 H new ATOM 1797 N ASN A 112 -20.723 19.777 -1.370 1.00 13.14 N ATOM 1798 CA ASN A 112 -20.287 21.175 -1.371 1.00 72.35 C ATOM 1799 C ASN A 112 -18.795 21.237 -1.000 1.00 65.35 C ATOM 1800 O ASN A 112 -18.366 20.599 -0.036 1.00 52.52 O ATOM 1801 CB ASN A 112 -21.136 21.997 -0.388 1.00 35.33 C ATOM 1802 CG ASN A 112 -20.776 23.471 -0.394 1.00 74.32 C ATOM 1803 OD1 ASN A 112 -19.935 23.917 0.375 1.00 42.24 O ATOM 1804 ND2 ASN A 112 -21.404 24.237 -1.263 1.00 61.43 N ATOM 0 H ASN A 112 -20.128 19.162 -0.816 1.00 13.14 H new ATOM 0 HA ASN A 112 -20.422 21.603 -2.364 1.00 72.35 H new ATOM 0 HB2 ASN A 112 -22.190 21.884 -0.642 1.00 35.33 H new ATOM 0 HB3 ASN A 112 -21.006 21.599 0.619 1.00 35.33 H new ATOM 0 HD21 ASN A 112 -21.194 25.234 -1.309 1.00 61.43 H new ATOM 0 HD22 ASN A 112 -22.100 23.833 -1.890 1.00 61.43 H new ATOM 1811 N GLN A 113 -18.004 21.974 -1.778 1.00 44.34 N ATOM 1812 CA GLN A 113 -16.547 22.010 -1.582 1.00 1.31 C ATOM 1813 C GLN A 113 -16.114 23.190 -0.699 1.00 52.25 C ATOM 1814 O GLN A 113 -16.928 24.035 -0.327 1.00 11.03 O ATOM 1815 CB GLN A 113 -15.836 22.077 -2.941 1.00 2.42 C ATOM 1816 CG GLN A 113 -16.140 20.883 -3.840 1.00 12.40 C ATOM 1817 CD GLN A 113 -15.407 20.940 -5.169 1.00 14.35 C ATOM 1818 OE1 GLN A 113 -15.904 21.487 -6.147 1.00 31.33 O ATOM 1819 NE2 GLN A 113 -14.218 20.375 -5.212 1.00 22.32 N ATOM 0 H GLN A 113 -18.341 22.553 -2.547 1.00 44.34 H new ATOM 0 HA GLN A 113 -16.261 21.094 -1.066 1.00 1.31 H new ATOM 0 HB2 GLN A 113 -16.131 22.993 -3.453 1.00 2.42 H new ATOM 0 HB3 GLN A 113 -14.760 22.136 -2.778 1.00 2.42 H new ATOM 0 HG2 GLN A 113 -15.867 19.965 -3.320 1.00 12.40 H new ATOM 0 HG3 GLN A 113 -17.213 20.838 -4.025 1.00 12.40 H new ATOM 0 HE21 GLN A 113 -13.835 19.929 -4.379 1.00 22.32 H new ATOM 0 HE22 GLN A 113 -13.680 20.384 -6.079 1.00 22.32 H new ATOM 1828 N THR A 114 -14.823 23.240 -0.367 1.00 64.14 N ATOM 1829 CA THR A 114 -14.280 24.308 0.480 1.00 53.44 C ATOM 1830 C THR A 114 -14.320 25.665 -0.234 1.00 14.24 C ATOM 1831 O THR A 114 -13.844 25.794 -1.363 1.00 45.44 O ATOM 1832 CB THR A 114 -12.821 24.013 0.910 1.00 54.41 C ATOM 1833 OG1 THR A 114 -11.975 23.885 -0.243 1.00 23.32 O ATOM 1834 CG2 THR A 114 -12.743 22.736 1.741 1.00 23.32 C ATOM 0 H THR A 114 -14.132 22.554 -0.671 1.00 64.14 H new ATOM 0 HA THR A 114 -14.912 24.347 1.367 1.00 53.44 H new ATOM 0 HB THR A 114 -12.478 24.849 1.519 1.00 54.41 H new ATOM 0 HG1 THR A 114 -12.366 24.382 -0.992 1.00 23.32 H new ATOM 0 HG21 THR A 114 -11.708 22.552 2.030 1.00 23.32 H new ATOM 0 HG22 THR A 114 -13.355 22.846 2.636 1.00 23.32 H new ATOM 0 HG23 THR A 114 -13.110 21.896 1.152 1.00 23.32 H new ATOM 1842 N LEU A 115 -14.894 26.666 0.434 1.00 64.10 N ATOM 1843 CA LEU A 115 -15.034 28.017 -0.127 1.00 65.42 C ATOM 1844 C LEU A 115 -15.833 27.984 -1.449 1.00 4.13 C ATOM 1845 O LEU A 115 -15.252 27.972 -2.541 1.00 73.01 O ATOM 1846 CB LEU A 115 -13.645 28.666 -0.331 1.00 12.42 C ATOM 1847 CG LEU A 115 -13.601 30.215 -0.373 1.00 34.23 C ATOM 1848 CD1 LEU A 115 -12.157 30.703 -0.432 1.00 15.15 C ATOM 1849 CD2 LEU A 115 -14.396 30.777 -1.553 1.00 63.52 C ATOM 0 H LEU A 115 -15.275 26.568 1.375 1.00 64.10 H new ATOM 0 HA LEU A 115 -15.592 28.628 0.583 1.00 65.42 H new ATOM 0 HB2 LEU A 115 -12.990 28.328 0.472 1.00 12.42 H new ATOM 0 HB3 LEU A 115 -13.226 28.288 -1.264 1.00 12.42 H new ATOM 0 HG LEU A 115 -14.067 30.580 0.542 1.00 34.23 H new ATOM 0 HD11 LEU A 115 -12.142 31.793 -0.461 1.00 15.15 H new ATOM 0 HD12 LEU A 115 -11.619 30.356 0.450 1.00 15.15 H new ATOM 0 HD13 LEU A 115 -11.676 30.310 -1.328 1.00 15.15 H new ATOM 0 HD21 LEU A 115 -14.339 31.865 -1.545 1.00 63.52 H new ATOM 0 HD22 LEU A 115 -13.979 30.399 -2.486 1.00 63.52 H new ATOM 0 HD23 LEU A 115 -15.438 30.468 -1.470 1.00 63.52 H new ATOM 1861 N PRO A 116 -17.177 27.921 -1.360 1.00 52.24 N ATOM 1862 CA PRO A 116 -18.057 27.971 -2.534 1.00 45.21 C ATOM 1863 C PRO A 116 -18.417 29.414 -2.967 1.00 14.04 C ATOM 1864 O PRO A 116 -19.403 29.986 -2.442 1.00 37.52 O ATOM 1865 CB PRO A 116 -19.289 27.194 -2.053 1.00 50.02 C ATOM 1866 CG PRO A 116 -19.345 27.414 -0.571 1.00 74.32 C ATOM 1867 CD PRO A 116 -17.942 27.755 -0.109 1.00 45.33 C ATOM 1868 OXT PRO A 116 -17.710 29.975 -3.838 1.00 37.52 O ATOM 0 HA PRO A 116 -17.590 27.553 -3.426 1.00 45.21 H new ATOM 0 HB2 PRO A 116 -20.196 27.555 -2.538 1.00 50.02 H new ATOM 0 HB3 PRO A 116 -19.202 26.134 -2.290 1.00 50.02 H new ATOM 0 HG2 PRO A 116 -20.036 28.222 -0.329 1.00 74.32 H new ATOM 0 HG3 PRO A 116 -19.709 26.521 -0.064 1.00 74.32 H new ATOM 0 HD2 PRO A 116 -17.930 28.667 0.488 1.00 45.33 H new ATOM 0 HD3 PRO A 116 -17.524 26.962 0.511 1.00 45.33 H new TER 1876 PRO A 116