USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 987 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 16 ASN : amide:sc= 0.361 K(o=0.38,f=-1.3) USER MOD Set 1.2: A 125 SER OG : rot -87:sc= 0.0161 USER MOD Set 2.1: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 122 THR OG1 : rot 180:sc= -0.191 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.31 K(o=-0.91,f=-2.4!) USER MOD Set 3.2: A 68 MET CE :methyl 150:sc= -0.619 (180deg=-1.21) USER MOD Set 3.3: A 99 THR OG1 : rot -179:sc= 0.0185 USER MOD Set 4.1: A 33 THR OG1 : rot 94:sc= -0.447 USER MOD Set 4.2: A 61 LYS NZ :NH3+ -148:sc= 0.871 (180deg=0.156) USER MOD Set 4.3: A 62 TYR OH : rot 33:sc= -0.155 USER MOD Set 5.1: A 53 GLN : amide:sc= -0.0461 X(o=0.036,f=-0.38) USER MOD Set 5.2: A 56 LYS NZ :NH3+ -101:sc= 0.0819 (180deg=-0.823) USER MOD Set 6.1: A 40 SER OG : rot -146:sc= 0.641 USER MOD Set 6.2: A 45 SER OG : rot 50:sc= 0.234 USER MOD Set 6.3: A 47 HIS : no HE2:sc= -0.402 K(o=0.47,f=-1.9) USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.22 (180deg=0.703) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.095) USER MOD Single : A 6 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.057) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 45:sc= 0.139 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -169:sc=-0.00592 (180deg=-0.163) USER MOD Single : A 15 SER OG : rot 24:sc= 0.244 USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.0231 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 108:sc= 0.484 USER MOD Single : A 29 SER OG : rot -32:sc= 0.258 USER MOD Single : A 38 CYS SG : rot -107:sc= 0.107 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0418) USER MOD Single : A 65 HIS : no HE2:sc= 0.0336 X(o=0.034,f=-0.25) USER MOD Single : A 66 ASN : amide:sc= -0.505 K(o=-0.5,f=-4!) USER MOD Single : A 67 ASN : amide:sc= -0.565 K(o=-0.57,f=-7.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 76 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.56) USER MOD Single : A 77 MET CE :methyl 176:sc= -1.58 (180deg=-1.67) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0.266 K(o=0.27,f=-0.93) USER MOD Single : A 88 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.14) USER MOD Single : A 93 LYS NZ :NH3+ -116:sc= -2.21 (180deg=-6.17!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 103 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-2) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -3.1! K(o=-3.1!,f=-0.049) USER MOD Single : A 112 GLN : amide:sc= 0.723 K(o=0.72,f=-6.5!) USER MOD Single : A 116 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.12) USER MOD Single : A 118 LYS NZ :NH3+ -167:sc= 0.861 (180deg=0.765) USER MOD Single : A 123 SER OG : rot -120:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.938 -50.542 6.232 1.00 51.15 N ATOM 2 CA MET A 1 33.155 -49.645 5.362 1.00 4.42 C ATOM 3 C MET A 1 32.761 -48.382 6.147 1.00 15.23 C ATOM 4 O MET A 1 31.844 -48.415 6.979 1.00 3.32 O ATOM 5 CB MET A 1 31.913 -50.384 4.786 1.00 3.13 C ATOM 6 CG MET A 1 32.258 -51.633 3.947 1.00 72.22 C ATOM 7 SD MET A 1 32.986 -52.990 4.906 1.00 23.43 S ATOM 8 CE MET A 1 31.596 -53.510 5.911 1.00 65.53 C ATOM 0 H1 MET A 1 33.833 -51.523 5.903 1.00 51.15 H new ATOM 0 H2 MET A 1 34.941 -50.270 6.198 1.00 51.15 H new ATOM 0 H3 MET A 1 33.592 -50.466 7.210 1.00 51.15 H new ATOM 0 HA MET A 1 33.765 -49.339 4.512 1.00 4.42 H new ATOM 0 HB2 MET A 1 31.265 -50.681 5.611 1.00 3.13 H new ATOM 0 HB3 MET A 1 31.344 -49.689 4.168 1.00 3.13 H new ATOM 0 HG2 MET A 1 31.352 -51.992 3.460 1.00 72.22 H new ATOM 0 HG3 MET A 1 32.953 -51.347 3.157 1.00 72.22 H new ATOM 0 HE1 MET A 1 31.829 -54.461 6.389 1.00 65.53 H new ATOM 0 HE2 MET A 1 31.398 -52.758 6.675 1.00 65.53 H new ATOM 0 HE3 MET A 1 30.715 -53.627 5.280 1.00 65.53 H new ATOM 20 N GLY A 2 33.499 -47.281 5.890 1.00 13.23 N ATOM 21 CA GLY A 2 33.285 -45.999 6.551 1.00 62.02 C ATOM 22 C GLY A 2 33.358 -44.859 5.552 1.00 34.20 C ATOM 23 O GLY A 2 34.454 -44.379 5.218 1.00 1.35 O ATOM 0 H GLY A 2 34.261 -47.268 5.213 1.00 13.23 H new ATOM 0 HA2 GLY A 2 32.312 -45.996 7.043 1.00 62.02 H new ATOM 0 HA3 GLY A 2 34.035 -45.856 7.329 1.00 62.02 H new ATOM 27 N HIS A 3 32.186 -44.451 5.042 1.00 21.11 N ATOM 28 CA HIS A 3 32.063 -43.360 4.057 1.00 1.43 C ATOM 29 C HIS A 3 31.160 -42.246 4.605 1.00 4.44 C ATOM 30 O HIS A 3 30.042 -42.509 5.068 1.00 55.22 O ATOM 31 CB HIS A 3 31.483 -43.892 2.723 1.00 53.30 C ATOM 32 CG HIS A 3 32.380 -44.861 1.986 1.00 64.12 C ATOM 33 ND1 HIS A 3 33.348 -44.458 1.087 1.00 24.31 N ATOM 34 CD2 HIS A 3 32.450 -46.215 2.016 1.00 14.44 C ATOM 35 CE1 HIS A 3 33.966 -45.516 0.601 1.00 72.10 C ATOM 36 NE2 HIS A 3 33.442 -46.590 1.146 1.00 13.52 N ATOM 0 H HIS A 3 31.292 -44.869 5.301 1.00 21.11 H new ATOM 0 HA HIS A 3 33.058 -42.955 3.872 1.00 1.43 H new ATOM 0 HB2 HIS A 3 30.531 -44.382 2.926 1.00 53.30 H new ATOM 0 HB3 HIS A 3 31.272 -43.045 2.070 1.00 53.30 H new ATOM 0 HD2 HIS A 3 31.839 -46.875 2.614 1.00 14.44 H new ATOM 0 HE1 HIS A 3 34.767 -45.502 -0.123 1.00 72.10 H new ATOM 0 HE2 HIS A 3 33.727 -47.550 0.953 1.00 13.52 H new ATOM 45 N HIS A 4 31.664 -41.004 4.550 1.00 60.34 N ATOM 46 CA HIS A 4 30.917 -39.790 4.939 1.00 61.23 C ATOM 47 C HIS A 4 30.972 -38.780 3.791 1.00 14.43 C ATOM 48 O HIS A 4 32.058 -38.479 3.277 1.00 30.04 O ATOM 49 CB HIS A 4 31.489 -39.155 6.234 1.00 73.02 C ATOM 50 CG HIS A 4 31.191 -39.932 7.498 1.00 12.14 C ATOM 51 ND1 HIS A 4 30.340 -39.469 8.482 1.00 61.04 N ATOM 52 CD2 HIS A 4 31.635 -41.137 7.935 1.00 51.21 C ATOM 53 CE1 HIS A 4 30.278 -40.351 9.460 1.00 55.22 C ATOM 54 NE2 HIS A 4 31.053 -41.369 9.154 1.00 21.11 N ATOM 0 H HIS A 4 32.613 -40.808 4.231 1.00 60.34 H new ATOM 0 HA HIS A 4 29.884 -40.071 5.142 1.00 61.23 H new ATOM 0 HB2 HIS A 4 32.569 -39.057 6.129 1.00 73.02 H new ATOM 0 HB3 HIS A 4 31.086 -38.148 6.338 1.00 73.02 H new ATOM 0 HD2 HIS A 4 32.320 -41.792 7.418 1.00 51.21 H new ATOM 0 HE1 HIS A 4 29.690 -40.254 10.361 1.00 55.22 H new ATOM 0 HE2 HIS A 4 31.198 -42.198 9.731 1.00 21.11 H new ATOM 63 N HIS A 5 29.795 -38.271 3.387 1.00 63.34 N ATOM 64 CA HIS A 5 29.649 -37.356 2.242 1.00 13.21 C ATOM 65 C HIS A 5 28.615 -36.266 2.569 1.00 3.55 C ATOM 66 O HIS A 5 27.440 -36.576 2.805 1.00 22.22 O ATOM 67 CB HIS A 5 29.196 -38.143 0.983 1.00 64.41 C ATOM 68 CG HIS A 5 30.139 -39.246 0.550 1.00 12.33 C ATOM 69 ND1 HIS A 5 29.821 -40.591 0.626 1.00 0.14 N ATOM 70 CD2 HIS A 5 31.383 -39.196 0.012 1.00 3.50 C ATOM 71 CE1 HIS A 5 30.821 -41.307 0.157 1.00 50.30 C ATOM 72 NE2 HIS A 5 31.776 -40.487 -0.221 1.00 33.34 N ATOM 0 H HIS A 5 28.912 -38.485 3.850 1.00 63.34 H new ATOM 0 HA HIS A 5 30.613 -36.889 2.043 1.00 13.21 H new ATOM 0 HB2 HIS A 5 28.215 -38.578 1.177 1.00 64.41 H new ATOM 0 HB3 HIS A 5 29.076 -37.442 0.157 1.00 64.41 H new ATOM 0 HD2 HIS A 5 31.957 -38.304 -0.194 1.00 3.50 H new ATOM 0 HE1 HIS A 5 30.852 -42.385 0.094 1.00 50.30 H new ATOM 0 HE2 HIS A 5 32.670 -40.768 -0.625 1.00 33.34 H new ATOM 81 N HIS A 6 29.060 -35.000 2.603 1.00 15.11 N ATOM 82 CA HIS A 6 28.161 -33.851 2.792 1.00 70.25 C ATOM 83 C HIS A 6 27.322 -33.614 1.511 1.00 20.22 C ATOM 84 O HIS A 6 27.864 -33.321 0.441 1.00 2.22 O ATOM 85 CB HIS A 6 28.952 -32.575 3.228 1.00 53.31 C ATOM 86 CG HIS A 6 30.111 -32.156 2.346 1.00 23.02 C ATOM 87 ND1 HIS A 6 31.428 -32.440 2.649 1.00 23.03 N ATOM 88 CD2 HIS A 6 30.153 -31.424 1.204 1.00 43.10 C ATOM 89 CE1 HIS A 6 32.215 -31.906 1.737 1.00 31.24 C ATOM 90 NE2 HIS A 6 31.468 -31.285 0.847 1.00 12.01 N ATOM 0 H HIS A 6 30.043 -34.746 2.501 1.00 15.11 H new ATOM 0 HA HIS A 6 27.470 -34.077 3.604 1.00 70.25 H new ATOM 0 HB2 HIS A 6 28.250 -31.743 3.285 1.00 53.31 H new ATOM 0 HB3 HIS A 6 29.334 -32.740 4.236 1.00 53.31 H new ATOM 0 HD2 HIS A 6 29.303 -31.023 0.672 1.00 43.10 H new ATOM 0 HE1 HIS A 6 33.293 -31.967 1.722 1.00 31.24 H new ATOM 0 HE2 HIS A 6 31.812 -30.784 0.028 1.00 12.01 H new ATOM 99 N HIS A 7 26.001 -33.830 1.621 1.00 74.32 N ATOM 100 CA HIS A 7 25.036 -33.582 0.528 1.00 34.42 C ATOM 101 C HIS A 7 23.870 -32.734 1.052 1.00 30.34 C ATOM 102 O HIS A 7 23.449 -32.892 2.204 1.00 40.44 O ATOM 103 CB HIS A 7 24.480 -34.916 -0.051 1.00 33.22 C ATOM 104 CG HIS A 7 25.466 -35.745 -0.848 1.00 64.55 C ATOM 105 ND1 HIS A 7 25.666 -37.093 -0.629 1.00 71.12 N ATOM 106 CD2 HIS A 7 26.253 -35.422 -1.905 1.00 64.50 C ATOM 107 CE1 HIS A 7 26.531 -37.558 -1.508 1.00 41.24 C ATOM 108 NE2 HIS A 7 26.900 -36.570 -2.297 1.00 45.32 N ATOM 0 H HIS A 7 25.566 -34.183 2.473 1.00 74.32 H new ATOM 0 HA HIS A 7 25.558 -33.052 -0.268 1.00 34.42 H new ATOM 0 HB2 HIS A 7 24.107 -35.522 0.775 1.00 33.22 H new ATOM 0 HB3 HIS A 7 23.626 -34.687 -0.689 1.00 33.22 H new ATOM 0 HD2 HIS A 7 26.353 -34.445 -2.355 1.00 64.50 H new ATOM 0 HE1 HIS A 7 26.879 -38.578 -1.571 1.00 41.24 H new ATOM 0 HE2 HIS A 7 27.558 -36.644 -3.072 1.00 45.32 H new ATOM 117 N HIS A 8 23.349 -31.846 0.189 1.00 50.41 N ATOM 118 CA HIS A 8 22.186 -31.005 0.508 1.00 22.41 C ATOM 119 C HIS A 8 21.253 -30.947 -0.714 1.00 15.02 C ATOM 120 O HIS A 8 21.481 -30.170 -1.641 1.00 5.00 O ATOM 121 CB HIS A 8 22.634 -29.584 0.950 1.00 75.55 C ATOM 122 CG HIS A 8 21.501 -28.718 1.449 1.00 5.41 C ATOM 123 ND1 HIS A 8 21.090 -28.709 2.766 1.00 21.12 N ATOM 124 CD2 HIS A 8 20.679 -27.852 0.802 1.00 1.15 C ATOM 125 CE1 HIS A 8 20.075 -27.885 2.904 1.00 72.01 C ATOM 126 NE2 HIS A 8 19.808 -27.353 1.734 1.00 42.21 N ATOM 0 H HIS A 8 23.722 -31.692 -0.748 1.00 50.41 H new ATOM 0 HA HIS A 8 21.642 -31.443 1.345 1.00 22.41 H new ATOM 0 HB2 HIS A 8 23.382 -29.677 1.737 1.00 75.55 H new ATOM 0 HB3 HIS A 8 23.116 -29.087 0.109 1.00 75.55 H new ATOM 0 HD2 HIS A 8 20.707 -27.604 -0.249 1.00 1.15 H new ATOM 0 HE1 HIS A 8 19.549 -27.680 3.825 1.00 72.01 H new ATOM 0 HE2 HIS A 8 19.069 -26.675 1.548 1.00 42.21 H new ATOM 135 N SER A 9 20.227 -31.808 -0.714 1.00 31.23 N ATOM 136 CA SER A 9 19.218 -31.860 -1.785 1.00 42.21 C ATOM 137 C SER A 9 18.223 -30.679 -1.653 1.00 32.42 C ATOM 138 O SER A 9 17.326 -30.699 -0.799 1.00 64.54 O ATOM 139 CB SER A 9 18.498 -33.230 -1.733 1.00 70.13 C ATOM 140 OG SER A 9 18.069 -33.535 -0.409 1.00 30.01 O ATOM 0 H SER A 9 20.071 -32.490 0.029 1.00 31.23 H new ATOM 0 HA SER A 9 19.702 -31.760 -2.756 1.00 42.21 H new ATOM 0 HB2 SER A 9 17.638 -33.218 -2.403 1.00 70.13 H new ATOM 0 HB3 SER A 9 19.170 -34.011 -2.090 1.00 70.13 H new ATOM 0 HG SER A 9 17.645 -32.745 -0.012 1.00 30.01 H new ATOM 146 N HIS A 10 18.437 -29.629 -2.472 1.00 41.45 N ATOM 147 CA HIS A 10 17.609 -28.407 -2.470 1.00 31.23 C ATOM 148 C HIS A 10 16.173 -28.723 -2.956 1.00 73.14 C ATOM 149 O HIS A 10 15.942 -28.924 -4.156 1.00 10.32 O ATOM 150 CB HIS A 10 18.283 -27.305 -3.349 1.00 15.11 C ATOM 151 CG HIS A 10 17.534 -25.988 -3.410 1.00 15.15 C ATOM 152 ND1 HIS A 10 17.840 -24.917 -2.600 1.00 14.40 N ATOM 153 CD2 HIS A 10 16.500 -25.572 -4.191 1.00 73.24 C ATOM 154 CE1 HIS A 10 17.033 -23.913 -2.872 1.00 1.13 C ATOM 155 NE2 HIS A 10 16.210 -24.282 -3.832 1.00 65.55 N ATOM 0 H HIS A 10 19.193 -29.606 -3.156 1.00 41.45 H new ATOM 0 HA HIS A 10 17.534 -28.028 -1.451 1.00 31.23 H new ATOM 0 HB2 HIS A 10 19.286 -27.118 -2.965 1.00 15.11 H new ATOM 0 HB3 HIS A 10 18.396 -27.689 -4.363 1.00 15.11 H new ATOM 0 HD2 HIS A 10 16.000 -26.152 -4.953 1.00 73.24 H new ATOM 0 HE1 HIS A 10 17.044 -22.947 -2.388 1.00 1.13 H new ATOM 0 HE2 HIS A 10 15.477 -23.702 -4.241 1.00 65.55 H new ATOM 164 N MET A 11 15.226 -28.793 -2.003 1.00 20.41 N ATOM 165 CA MET A 11 13.802 -29.027 -2.290 1.00 62.40 C ATOM 166 C MET A 11 13.144 -27.721 -2.780 1.00 52.31 C ATOM 167 O MET A 11 13.134 -26.713 -2.057 1.00 43.13 O ATOM 168 CB MET A 11 13.075 -29.576 -1.026 1.00 32.22 C ATOM 169 CG MET A 11 11.568 -29.832 -1.208 1.00 1.50 C ATOM 170 SD MET A 11 10.750 -30.448 0.289 1.00 41.40 S ATOM 171 CE MET A 11 11.523 -32.054 0.531 1.00 15.10 C ATOM 0 H MET A 11 15.429 -28.688 -1.009 1.00 20.41 H new ATOM 0 HA MET A 11 13.717 -29.775 -3.078 1.00 62.40 H new ATOM 0 HB2 MET A 11 13.554 -30.508 -0.725 1.00 32.22 H new ATOM 0 HB3 MET A 11 13.213 -28.868 -0.209 1.00 32.22 H new ATOM 0 HG2 MET A 11 11.086 -28.906 -1.520 1.00 1.50 H new ATOM 0 HG3 MET A 11 11.425 -30.553 -2.013 1.00 1.50 H new ATOM 0 HE1 MET A 11 10.976 -32.610 1.292 1.00 15.10 H new ATOM 0 HE2 MET A 11 11.507 -32.610 -0.406 1.00 15.10 H new ATOM 0 HE3 MET A 11 12.555 -31.916 0.854 1.00 15.10 H new ATOM 181 N ALA A 12 12.632 -27.746 -4.024 1.00 10.42 N ATOM 182 CA ALA A 12 11.916 -26.613 -4.633 1.00 51.11 C ATOM 183 C ALA A 12 10.563 -26.391 -3.925 1.00 10.13 C ATOM 184 O ALA A 12 9.576 -27.084 -4.206 1.00 4.33 O ATOM 185 CB ALA A 12 11.739 -26.853 -6.148 1.00 21.41 C ATOM 0 H ALA A 12 12.704 -28.558 -4.637 1.00 10.42 H new ATOM 0 HA ALA A 12 12.504 -25.704 -4.507 1.00 51.11 H new ATOM 0 HB1 ALA A 12 11.208 -26.010 -6.590 1.00 21.41 H new ATOM 0 HB2 ALA A 12 12.718 -26.952 -6.617 1.00 21.41 H new ATOM 0 HB3 ALA A 12 11.166 -27.766 -6.307 1.00 21.41 H new ATOM 191 N GLY A 13 10.547 -25.435 -2.984 1.00 71.25 N ATOM 192 CA GLY A 13 9.396 -25.216 -2.108 1.00 65.01 C ATOM 193 C GLY A 13 8.475 -24.091 -2.585 1.00 60.25 C ATOM 194 O GLY A 13 8.101 -24.072 -3.762 1.00 63.32 O ATOM 0 H GLY A 13 11.326 -24.799 -2.813 1.00 71.25 H new ATOM 0 HA2 GLY A 13 8.822 -26.140 -2.037 1.00 65.01 H new ATOM 0 HA3 GLY A 13 9.752 -24.983 -1.104 1.00 65.01 H new ATOM 198 N PRO A 14 8.076 -23.131 -1.691 1.00 52.14 N ATOM 199 CA PRO A 14 7.115 -22.059 -2.026 1.00 61.43 C ATOM 200 C PRO A 14 7.756 -20.688 -2.366 1.00 30.30 C ATOM 201 O PRO A 14 8.979 -20.506 -2.289 1.00 63.50 O ATOM 202 CB PRO A 14 6.331 -21.987 -0.702 1.00 35.53 C ATOM 203 CG PRO A 14 7.374 -22.181 0.369 1.00 32.31 C ATOM 204 CD PRO A 14 8.476 -23.038 -0.253 1.00 4.43 C ATOM 0 HA PRO A 14 6.539 -22.272 -2.927 1.00 61.43 H new ATOM 0 HB2 PRO A 14 5.825 -21.028 -0.593 1.00 35.53 H new ATOM 0 HB3 PRO A 14 5.564 -22.760 -0.653 1.00 35.53 H new ATOM 0 HG2 PRO A 14 7.770 -21.222 0.704 1.00 32.31 H new ATOM 0 HG3 PRO A 14 6.947 -22.672 1.243 1.00 32.31 H new ATOM 0 HD2 PRO A 14 9.457 -22.576 -0.138 1.00 4.43 H new ATOM 0 HD3 PRO A 14 8.531 -24.022 0.213 1.00 4.43 H new ATOM 212 N SER A 15 6.891 -19.736 -2.761 1.00 51.34 N ATOM 213 CA SER A 15 7.235 -18.313 -2.852 1.00 3.55 C ATOM 214 C SER A 15 7.030 -17.705 -1.460 1.00 12.10 C ATOM 215 O SER A 15 5.977 -17.908 -0.835 1.00 42.23 O ATOM 216 CB SER A 15 6.347 -17.608 -3.899 1.00 41.33 C ATOM 217 OG SER A 15 6.698 -16.236 -4.057 1.00 43.03 O ATOM 0 H SER A 15 5.927 -19.939 -3.027 1.00 51.34 H new ATOM 0 HA SER A 15 8.269 -18.185 -3.172 1.00 3.55 H new ATOM 0 HB2 SER A 15 6.440 -18.119 -4.857 1.00 41.33 H new ATOM 0 HB3 SER A 15 5.302 -17.683 -3.598 1.00 41.33 H new ATOM 0 HG SER A 15 7.630 -16.103 -3.785 1.00 43.03 H new ATOM 223 N ASN A 16 8.027 -16.960 -0.983 1.00 25.05 N ATOM 224 CA ASN A 16 8.108 -16.532 0.431 1.00 24.34 C ATOM 225 C ASN A 16 7.425 -15.172 0.672 1.00 21.22 C ATOM 226 O ASN A 16 7.664 -14.518 1.693 1.00 23.14 O ATOM 227 CB ASN A 16 9.595 -16.512 0.861 1.00 10.00 C ATOM 228 CG ASN A 16 10.293 -17.854 0.600 1.00 74.44 C ATOM 229 OD1 ASN A 16 10.226 -18.784 1.409 1.00 61.14 O ATOM 230 ND2 ASN A 16 10.961 -17.966 -0.530 1.00 31.52 N ATOM 0 H ASN A 16 8.804 -16.632 -1.557 1.00 25.05 H new ATOM 0 HA ASN A 16 7.562 -17.247 1.046 1.00 24.34 H new ATOM 0 HB2 ASN A 16 10.117 -15.722 0.321 1.00 10.00 H new ATOM 0 HB3 ASN A 16 9.661 -16.270 1.922 1.00 10.00 H new ATOM 0 HD21 ASN A 16 11.440 -18.838 -0.755 1.00 31.52 H new ATOM 0 HD22 ASN A 16 10.999 -17.181 -1.180 1.00 31.52 H new ATOM 237 N VAL A 17 6.557 -14.771 -0.273 1.00 73.41 N ATOM 238 CA VAL A 17 5.766 -13.535 -0.193 1.00 41.34 C ATOM 239 C VAL A 17 4.657 -13.689 0.882 1.00 12.20 C ATOM 240 O VAL A 17 3.781 -14.540 0.716 1.00 21.30 O ATOM 241 CB VAL A 17 5.118 -13.217 -1.592 1.00 30.15 C ATOM 242 CG1 VAL A 17 4.242 -11.946 -1.545 1.00 63.32 C ATOM 243 CG2 VAL A 17 6.198 -13.120 -2.689 1.00 64.33 C ATOM 0 H VAL A 17 6.384 -15.305 -1.125 1.00 73.41 H new ATOM 0 HA VAL A 17 6.422 -12.711 0.087 1.00 41.34 H new ATOM 0 HB VAL A 17 4.457 -14.047 -1.844 1.00 30.15 H new ATOM 0 HG11 VAL A 17 3.814 -11.762 -2.530 1.00 63.32 H new ATOM 0 HG12 VAL A 17 3.439 -12.084 -0.821 1.00 63.32 H new ATOM 0 HG13 VAL A 17 4.854 -11.093 -1.251 1.00 63.32 H new ATOM 0 HG21 VAL A 17 5.726 -12.900 -3.646 1.00 64.33 H new ATOM 0 HG22 VAL A 17 6.900 -12.324 -2.439 1.00 64.33 H new ATOM 0 HG23 VAL A 17 6.733 -14.067 -2.758 1.00 64.33 H new ATOM 253 N PRO A 18 4.670 -12.883 1.993 1.00 5.34 N ATOM 254 CA PRO A 18 3.669 -13.005 3.083 1.00 13.23 C ATOM 255 C PRO A 18 2.272 -12.518 2.648 1.00 11.41 C ATOM 256 O PRO A 18 2.141 -11.810 1.634 1.00 52.01 O ATOM 257 CB PRO A 18 4.263 -12.123 4.212 1.00 2.13 C ATOM 258 CG PRO A 18 5.065 -11.092 3.494 1.00 43.24 C ATOM 259 CD PRO A 18 5.638 -11.794 2.274 1.00 61.42 C ATOM 0 HA PRO A 18 3.507 -14.038 3.391 1.00 13.23 H new ATOM 0 HB2 PRO A 18 3.478 -11.667 4.815 1.00 2.13 H new ATOM 0 HB3 PRO A 18 4.884 -12.709 4.889 1.00 2.13 H new ATOM 0 HG2 PRO A 18 4.444 -10.245 3.203 1.00 43.24 H new ATOM 0 HG3 PRO A 18 5.859 -10.701 4.130 1.00 43.24 H new ATOM 0 HD2 PRO A 18 5.728 -11.113 1.428 1.00 61.42 H new ATOM 0 HD3 PRO A 18 6.635 -12.188 2.473 1.00 61.42 H new ATOM 267 N ALA A 19 1.249 -12.913 3.433 1.00 23.30 N ATOM 268 CA ALA A 19 -0.165 -12.591 3.171 1.00 5.21 C ATOM 269 C ALA A 19 -0.394 -11.087 2.916 1.00 10.22 C ATOM 270 O ALA A 19 -1.017 -10.722 1.918 1.00 51.41 O ATOM 271 CB ALA A 19 -1.038 -13.068 4.336 1.00 24.24 C ATOM 0 H ALA A 19 1.385 -13.471 4.276 1.00 23.30 H new ATOM 0 HA ALA A 19 -0.450 -13.116 2.259 1.00 5.21 H new ATOM 0 HB1 ALA A 19 -2.081 -12.825 4.132 1.00 24.24 H new ATOM 0 HB2 ALA A 19 -0.933 -14.147 4.452 1.00 24.24 H new ATOM 0 HB3 ALA A 19 -0.723 -12.572 5.254 1.00 24.24 H new ATOM 277 N PHE A 20 0.155 -10.233 3.810 1.00 0.33 N ATOM 278 CA PHE A 20 0.037 -8.756 3.710 1.00 61.40 C ATOM 279 C PHE A 20 0.467 -8.218 2.327 1.00 15.53 C ATOM 280 O PHE A 20 -0.262 -7.433 1.713 1.00 0.53 O ATOM 281 CB PHE A 20 0.868 -8.050 4.832 1.00 25.22 C ATOM 282 CG PHE A 20 0.826 -6.516 4.764 1.00 25.43 C ATOM 283 CD1 PHE A 20 -0.292 -5.814 5.212 1.00 24.22 C ATOM 284 CD2 PHE A 20 1.878 -5.783 4.208 1.00 12.31 C ATOM 285 CE1 PHE A 20 -0.355 -4.438 5.113 1.00 71.11 C ATOM 286 CE2 PHE A 20 1.809 -4.408 4.102 1.00 33.34 C ATOM 287 CZ PHE A 20 0.694 -3.735 4.553 1.00 4.44 C ATOM 0 H PHE A 20 0.691 -10.545 4.620 1.00 0.33 H new ATOM 0 HA PHE A 20 -1.020 -8.524 3.842 1.00 61.40 H new ATOM 0 HB2 PHE A 20 0.494 -8.371 5.804 1.00 25.22 H new ATOM 0 HB3 PHE A 20 1.905 -8.379 4.764 1.00 25.22 H new ATOM 0 HD1 PHE A 20 -1.122 -6.355 5.643 1.00 24.22 H new ATOM 0 HD2 PHE A 20 2.758 -6.300 3.856 1.00 12.31 H new ATOM 0 HE1 PHE A 20 -1.226 -3.911 5.474 1.00 71.11 H new ATOM 0 HE2 PHE A 20 2.630 -3.859 3.665 1.00 33.34 H new ATOM 0 HZ PHE A 20 0.640 -2.660 4.469 1.00 4.44 H new ATOM 297 N LEU A 21 1.631 -8.678 1.835 1.00 0.24 N ATOM 298 CA LEU A 21 2.241 -8.131 0.611 1.00 34.53 C ATOM 299 C LEU A 21 1.568 -8.712 -0.647 1.00 4.04 C ATOM 300 O LEU A 21 1.407 -8.000 -1.644 1.00 11.22 O ATOM 301 CB LEU A 21 3.782 -8.370 0.603 1.00 23.44 C ATOM 302 CG LEU A 21 4.605 -7.569 1.672 1.00 41.03 C ATOM 303 CD1 LEU A 21 6.106 -7.937 1.627 1.00 31.51 C ATOM 304 CD2 LEU A 21 4.408 -6.041 1.507 1.00 13.41 C ATOM 0 H LEU A 21 2.169 -9.429 2.268 1.00 0.24 H new ATOM 0 HA LEU A 21 2.077 -7.053 0.600 1.00 34.53 H new ATOM 0 HB2 LEU A 21 3.966 -9.434 0.753 1.00 23.44 H new ATOM 0 HB3 LEU A 21 4.164 -8.117 -0.386 1.00 23.44 H new ATOM 0 HG LEU A 21 4.222 -7.854 2.652 1.00 41.03 H new ATOM 0 HD11 LEU A 21 6.644 -7.363 2.381 1.00 31.51 H new ATOM 0 HD12 LEU A 21 6.226 -9.002 1.828 1.00 31.51 H new ATOM 0 HD13 LEU A 21 6.508 -7.706 0.640 1.00 31.51 H new ATOM 0 HD21 LEU A 21 4.992 -5.515 2.263 1.00 13.41 H new ATOM 0 HD22 LEU A 21 4.741 -5.736 0.515 1.00 13.41 H new ATOM 0 HD23 LEU A 21 3.353 -5.795 1.627 1.00 13.41 H new ATOM 316 N THR A 22 1.157 -9.998 -0.593 1.00 72.52 N ATOM 317 CA THR A 22 0.453 -10.649 -1.720 1.00 12.22 C ATOM 318 C THR A 22 -0.996 -10.117 -1.876 1.00 4.22 C ATOM 319 O THR A 22 -1.627 -10.304 -2.927 1.00 52.55 O ATOM 320 CB THR A 22 0.464 -12.215 -1.612 1.00 45.33 C ATOM 321 OG1 THR A 22 0.175 -12.799 -2.894 1.00 1.14 O ATOM 322 CG2 THR A 22 -0.540 -12.750 -0.580 1.00 32.35 C ATOM 0 H THR A 22 1.300 -10.604 0.215 1.00 72.52 H new ATOM 0 HA THR A 22 1.009 -10.384 -2.619 1.00 12.22 H new ATOM 0 HB THR A 22 1.462 -12.497 -1.278 1.00 45.33 H new ATOM 0 HG1 THR A 22 -0.354 -12.171 -3.428 1.00 1.14 H new ATOM 0 HG21 THR A 22 -0.486 -13.838 -0.550 1.00 32.35 H new ATOM 0 HG22 THR A 22 -0.299 -12.348 0.404 1.00 32.35 H new ATOM 0 HG23 THR A 22 -1.548 -12.444 -0.860 1.00 32.35 H new ATOM 330 N LYS A 23 -1.533 -9.490 -0.812 1.00 15.23 N ATOM 331 CA LYS A 23 -2.795 -8.734 -0.895 1.00 73.13 C ATOM 332 C LYS A 23 -2.516 -7.310 -1.409 1.00 11.12 C ATOM 333 O LYS A 23 -3.267 -6.784 -2.228 1.00 45.10 O ATOM 334 CB LYS A 23 -3.502 -8.684 0.493 1.00 21.12 C ATOM 335 CG LYS A 23 -3.899 -10.053 1.107 1.00 33.53 C ATOM 336 CD LYS A 23 -5.232 -10.656 0.592 1.00 10.22 C ATOM 337 CE LYS A 23 -5.186 -11.175 -0.850 1.00 23.22 C ATOM 338 NZ LYS A 23 -6.425 -11.918 -1.203 1.00 4.34 N ATOM 0 H LYS A 23 -1.111 -9.493 0.116 1.00 15.23 H new ATOM 0 HA LYS A 23 -3.461 -9.240 -1.594 1.00 73.13 H new ATOM 0 HB2 LYS A 23 -2.844 -8.171 1.195 1.00 21.12 H new ATOM 0 HB3 LYS A 23 -4.402 -8.077 0.398 1.00 21.12 H new ATOM 0 HG2 LYS A 23 -3.098 -10.766 0.910 1.00 33.53 H new ATOM 0 HG3 LYS A 23 -3.966 -9.940 2.189 1.00 33.53 H new ATOM 0 HD2 LYS A 23 -5.522 -11.475 1.250 1.00 10.22 H new ATOM 0 HD3 LYS A 23 -6.011 -9.897 0.666 1.00 10.22 H new ATOM 0 HE2 LYS A 23 -5.056 -10.337 -1.535 1.00 23.22 H new ATOM 0 HE3 LYS A 23 -4.322 -11.827 -0.975 1.00 23.22 H new ATOM 0 HZ1 LYS A 23 -6.360 -12.255 -2.185 1.00 4.34 H new ATOM 0 HZ2 LYS A 23 -6.536 -12.731 -0.565 1.00 4.34 H new ATOM 0 HZ3 LYS A 23 -7.247 -11.288 -1.107 1.00 4.34 H new ATOM 352 N LEU A 24 -1.412 -6.707 -0.911 1.00 72.30 N ATOM 353 CA LEU A 24 -1.022 -5.313 -1.216 1.00 65.41 C ATOM 354 C LEU A 24 -0.758 -5.065 -2.721 1.00 50.10 C ATOM 355 O LEU A 24 -1.302 -4.115 -3.269 1.00 12.11 O ATOM 356 CB LEU A 24 0.219 -4.889 -0.375 1.00 74.54 C ATOM 357 CG LEU A 24 0.690 -3.400 -0.549 1.00 70.24 C ATOM 358 CD1 LEU A 24 -0.399 -2.388 -0.118 1.00 11.13 C ATOM 359 CD2 LEU A 24 2.026 -3.143 0.184 1.00 62.43 C ATOM 0 H LEU A 24 -0.763 -7.179 -0.282 1.00 72.30 H new ATOM 0 HA LEU A 24 -1.876 -4.694 -0.941 1.00 65.41 H new ATOM 0 HB2 LEU A 24 -0.005 -5.058 0.678 1.00 74.54 H new ATOM 0 HB3 LEU A 24 1.050 -5.545 -0.633 1.00 74.54 H new ATOM 0 HG LEU A 24 0.861 -3.243 -1.614 1.00 70.24 H new ATOM 0 HD11 LEU A 24 -0.027 -1.373 -0.256 1.00 11.13 H new ATOM 0 HD12 LEU A 24 -1.292 -2.534 -0.726 1.00 11.13 H new ATOM 0 HD13 LEU A 24 -0.646 -2.544 0.932 1.00 11.13 H new ATOM 0 HD21 LEU A 24 2.324 -2.104 0.044 1.00 62.43 H new ATOM 0 HD22 LEU A 24 1.902 -3.345 1.248 1.00 62.43 H new ATOM 0 HD23 LEU A 24 2.796 -3.799 -0.222 1.00 62.43 H new ATOM 371 N TRP A 25 0.076 -5.905 -3.381 1.00 72.22 N ATOM 372 CA TRP A 25 0.420 -5.707 -4.820 1.00 34.44 C ATOM 373 C TRP A 25 -0.843 -5.815 -5.708 1.00 52.01 C ATOM 374 O TRP A 25 -0.995 -5.070 -6.681 1.00 24.34 O ATOM 375 CB TRP A 25 1.532 -6.704 -5.289 1.00 1.14 C ATOM 376 CG TRP A 25 1.062 -8.104 -5.667 1.00 2.42 C ATOM 377 CD1 TRP A 25 0.580 -9.057 -4.831 1.00 53.11 C ATOM 378 CD2 TRP A 25 1.056 -8.697 -6.977 1.00 22.31 C ATOM 379 NE1 TRP A 25 0.262 -10.196 -5.528 1.00 2.45 N ATOM 380 CE2 TRP A 25 0.550 -10.001 -6.849 1.00 21.32 C ATOM 381 CE3 TRP A 25 1.427 -8.247 -8.241 1.00 73.33 C ATOM 382 CZ2 TRP A 25 0.407 -10.862 -7.940 1.00 24.02 C ATOM 383 CZ3 TRP A 25 1.289 -9.097 -9.324 1.00 54.31 C ATOM 384 CH2 TRP A 25 0.784 -10.393 -9.170 1.00 2.12 C ATOM 0 H TRP A 25 0.520 -6.717 -2.952 1.00 72.22 H new ATOM 0 HA TRP A 25 0.823 -4.700 -4.929 1.00 34.44 H new ATOM 0 HB2 TRP A 25 2.042 -6.269 -6.149 1.00 1.14 H new ATOM 0 HB3 TRP A 25 2.271 -6.794 -4.492 1.00 1.14 H new ATOM 0 HD1 TRP A 25 0.463 -8.936 -3.764 1.00 53.11 H new ATOM 0 HE1 TRP A 25 -0.126 -11.049 -5.125 1.00 2.45 H new ATOM 0 HE3 TRP A 25 1.817 -7.249 -8.374 1.00 73.33 H new ATOM 0 HZ2 TRP A 25 0.014 -11.860 -7.818 1.00 24.02 H new ATOM 0 HZ3 TRP A 25 1.576 -8.754 -10.307 1.00 54.31 H new ATOM 0 HH2 TRP A 25 0.690 -11.033 -10.035 1.00 2.12 H new ATOM 395 N THR A 26 -1.740 -6.748 -5.324 1.00 25.33 N ATOM 396 CA THR A 26 -3.049 -6.949 -5.961 1.00 41.22 C ATOM 397 C THR A 26 -3.942 -5.707 -5.785 1.00 54.22 C ATOM 398 O THR A 26 -4.586 -5.253 -6.730 1.00 41.22 O ATOM 399 CB THR A 26 -3.755 -8.208 -5.355 1.00 41.21 C ATOM 400 OG1 THR A 26 -2.879 -9.345 -5.463 1.00 55.32 O ATOM 401 CG2 THR A 26 -5.088 -8.534 -6.050 1.00 4.32 C ATOM 0 H THR A 26 -1.568 -7.390 -4.550 1.00 25.33 H new ATOM 0 HA THR A 26 -2.889 -7.108 -7.027 1.00 41.22 H new ATOM 0 HB THR A 26 -3.975 -7.982 -4.312 1.00 41.21 H new ATOM 0 HG1 THR A 26 -2.538 -9.581 -4.575 1.00 55.32 H new ATOM 0 HG21 THR A 26 -5.533 -9.416 -5.589 1.00 4.32 H new ATOM 0 HG22 THR A 26 -5.768 -7.689 -5.947 1.00 4.32 H new ATOM 0 HG23 THR A 26 -4.909 -8.729 -7.107 1.00 4.32 H new ATOM 409 N LEU A 27 -3.922 -5.167 -4.559 1.00 73.33 N ATOM 410 CA LEU A 27 -4.693 -3.988 -4.128 1.00 5.32 C ATOM 411 C LEU A 27 -4.306 -2.726 -4.933 1.00 61.35 C ATOM 412 O LEU A 27 -5.170 -2.015 -5.457 1.00 73.03 O ATOM 413 CB LEU A 27 -4.426 -3.806 -2.599 1.00 44.52 C ATOM 414 CG LEU A 27 -4.926 -2.506 -1.926 1.00 54.31 C ATOM 415 CD1 LEU A 27 -6.422 -2.322 -2.162 1.00 74.52 C ATOM 416 CD2 LEU A 27 -4.572 -2.491 -0.415 1.00 42.12 C ATOM 0 H LEU A 27 -3.347 -5.553 -3.810 1.00 73.33 H new ATOM 0 HA LEU A 27 -5.757 -4.137 -4.314 1.00 5.32 H new ATOM 0 HB2 LEU A 27 -4.881 -4.648 -2.078 1.00 44.52 H new ATOM 0 HB3 LEU A 27 -3.350 -3.874 -2.437 1.00 44.52 H new ATOM 0 HG LEU A 27 -4.414 -1.659 -2.384 1.00 54.31 H new ATOM 0 HD11 LEU A 27 -6.756 -1.402 -1.681 1.00 74.52 H new ATOM 0 HD12 LEU A 27 -6.617 -2.263 -3.233 1.00 74.52 H new ATOM 0 HD13 LEU A 27 -6.964 -3.169 -1.741 1.00 74.52 H new ATOM 0 HD21 LEU A 27 -4.935 -1.567 0.034 1.00 42.12 H new ATOM 0 HD22 LEU A 27 -5.042 -3.342 0.077 1.00 42.12 H new ATOM 0 HD23 LEU A 27 -3.491 -2.553 -0.294 1.00 42.12 H new ATOM 428 N VAL A 28 -2.991 -2.491 -5.013 1.00 0.43 N ATOM 429 CA VAL A 28 -2.381 -1.396 -5.790 1.00 71.32 C ATOM 430 C VAL A 28 -2.731 -1.503 -7.294 1.00 35.32 C ATOM 431 O VAL A 28 -2.912 -0.487 -7.980 1.00 74.11 O ATOM 432 CB VAL A 28 -0.811 -1.420 -5.578 1.00 31.23 C ATOM 433 CG1 VAL A 28 -0.064 -0.418 -6.478 1.00 44.25 C ATOM 434 CG2 VAL A 28 -0.453 -1.177 -4.095 1.00 23.53 C ATOM 0 H VAL A 28 -2.302 -3.068 -4.530 1.00 0.43 H new ATOM 0 HA VAL A 28 -2.784 -0.448 -5.433 1.00 71.32 H new ATOM 0 HB VAL A 28 -0.479 -2.416 -5.871 1.00 31.23 H new ATOM 0 HG11 VAL A 28 1.007 -0.484 -6.285 1.00 44.25 H new ATOM 0 HG12 VAL A 28 -0.259 -0.653 -7.524 1.00 44.25 H new ATOM 0 HG13 VAL A 28 -0.410 0.593 -6.263 1.00 44.25 H new ATOM 0 HG21 VAL A 28 0.630 -1.198 -3.974 1.00 23.53 H new ATOM 0 HG22 VAL A 28 -0.834 -0.205 -3.783 1.00 23.53 H new ATOM 0 HG23 VAL A 28 -0.902 -1.957 -3.480 1.00 23.53 H new ATOM 444 N SER A 29 -2.857 -2.748 -7.785 1.00 2.23 N ATOM 445 CA SER A 29 -3.087 -3.039 -9.213 1.00 2.23 C ATOM 446 C SER A 29 -4.593 -3.215 -9.537 1.00 50.53 C ATOM 447 O SER A 29 -4.959 -3.330 -10.711 1.00 43.13 O ATOM 448 CB SER A 29 -2.279 -4.306 -9.607 1.00 33.22 C ATOM 449 OG SER A 29 -2.381 -4.622 -10.996 1.00 55.33 O ATOM 0 H SER A 29 -2.802 -3.583 -7.202 1.00 2.23 H new ATOM 0 HA SER A 29 -2.744 -2.188 -9.801 1.00 2.23 H new ATOM 0 HB2 SER A 29 -1.230 -4.156 -9.350 1.00 33.22 H new ATOM 0 HB3 SER A 29 -2.633 -5.153 -9.020 1.00 33.22 H new ATOM 0 HG SER A 29 -3.262 -4.350 -11.329 1.00 55.33 H new ATOM 455 N ASP A 30 -5.465 -3.231 -8.510 1.00 61.43 N ATOM 456 CA ASP A 30 -6.910 -3.524 -8.696 1.00 44.51 C ATOM 457 C ASP A 30 -7.702 -2.265 -9.137 1.00 24.32 C ATOM 458 O ASP A 30 -7.561 -1.213 -8.511 1.00 2.23 O ATOM 459 CB ASP A 30 -7.499 -4.108 -7.393 1.00 40.15 C ATOM 460 CG ASP A 30 -8.991 -4.473 -7.504 1.00 42.51 C ATOM 461 OD1 ASP A 30 -9.315 -5.512 -8.125 1.00 2.55 O ATOM 462 OD2 ASP A 30 -9.840 -3.740 -6.957 1.00 10.31 O ATOM 0 H ASP A 30 -5.200 -3.046 -7.543 1.00 61.43 H new ATOM 0 HA ASP A 30 -7.004 -4.260 -9.495 1.00 44.51 H new ATOM 0 HB2 ASP A 30 -6.935 -4.998 -7.115 1.00 40.15 H new ATOM 0 HB3 ASP A 30 -7.369 -3.384 -6.588 1.00 40.15 H new ATOM 467 N PRO A 31 -8.583 -2.369 -10.205 1.00 32.12 N ATOM 468 CA PRO A 31 -9.329 -1.206 -10.762 1.00 72.02 C ATOM 469 C PRO A 31 -10.440 -0.656 -9.828 1.00 64.24 C ATOM 470 O PRO A 31 -10.827 0.507 -9.963 1.00 72.31 O ATOM 471 CB PRO A 31 -9.934 -1.766 -12.078 1.00 61.32 C ATOM 472 CG PRO A 31 -10.099 -3.230 -11.815 1.00 53.20 C ATOM 473 CD PRO A 31 -8.908 -3.621 -10.961 1.00 52.20 C ATOM 0 HA PRO A 31 -8.670 -0.349 -10.902 1.00 72.02 H new ATOM 0 HB2 PRO A 31 -10.888 -1.293 -12.310 1.00 61.32 H new ATOM 0 HB3 PRO A 31 -9.275 -1.586 -12.927 1.00 61.32 H new ATOM 0 HG2 PRO A 31 -11.037 -3.433 -11.298 1.00 53.20 H new ATOM 0 HG3 PRO A 31 -10.118 -3.797 -12.746 1.00 53.20 H new ATOM 0 HD2 PRO A 31 -9.151 -4.443 -10.288 1.00 52.20 H new ATOM 0 HD3 PRO A 31 -8.067 -3.948 -11.573 1.00 52.20 H new ATOM 481 N ASP A 32 -10.964 -1.495 -8.904 1.00 71.14 N ATOM 482 CA ASP A 32 -12.039 -1.088 -7.954 1.00 4.22 C ATOM 483 C ASP A 32 -11.473 -0.219 -6.817 1.00 12.03 C ATOM 484 O ASP A 32 -12.150 0.685 -6.312 1.00 61.21 O ATOM 485 CB ASP A 32 -12.754 -2.341 -7.373 1.00 2.43 C ATOM 486 CG ASP A 32 -13.778 -2.018 -6.262 1.00 65.51 C ATOM 487 OD1 ASP A 32 -14.930 -1.639 -6.585 1.00 54.40 O ATOM 488 OD2 ASP A 32 -13.439 -2.133 -5.059 1.00 62.04 O ATOM 0 H ASP A 32 -10.662 -2.463 -8.792 1.00 71.14 H new ATOM 0 HA ASP A 32 -12.767 -0.493 -8.505 1.00 4.22 H new ATOM 0 HB2 ASP A 32 -13.263 -2.864 -8.182 1.00 2.43 H new ATOM 0 HB3 ASP A 32 -12.003 -3.024 -6.975 1.00 2.43 H new ATOM 493 N THR A 33 -10.223 -0.487 -6.435 1.00 51.23 N ATOM 494 CA THR A 33 -9.555 0.207 -5.316 1.00 72.21 C ATOM 495 C THR A 33 -8.503 1.215 -5.820 1.00 53.53 C ATOM 496 O THR A 33 -7.872 1.910 -5.019 1.00 74.23 O ATOM 497 CB THR A 33 -8.912 -0.836 -4.356 1.00 73.33 C ATOM 498 OG1 THR A 33 -8.090 -1.754 -5.097 1.00 11.15 O ATOM 499 CG2 THR A 33 -9.984 -1.629 -3.587 1.00 63.13 C ATOM 0 H THR A 33 -9.639 -1.190 -6.888 1.00 51.23 H new ATOM 0 HA THR A 33 -10.307 0.776 -4.769 1.00 72.21 H new ATOM 0 HB THR A 33 -8.302 -0.287 -3.638 1.00 73.33 H new ATOM 0 HG1 THR A 33 -7.162 -1.439 -5.093 1.00 11.15 H new ATOM 0 HG21 THR A 33 -9.500 -2.348 -2.926 1.00 63.13 H new ATOM 0 HG22 THR A 33 -10.590 -0.943 -2.995 1.00 63.13 H new ATOM 0 HG23 THR A 33 -10.622 -2.158 -4.294 1.00 63.13 H new ATOM 507 N ASP A 34 -8.388 1.317 -7.159 1.00 14.33 N ATOM 508 CA ASP A 34 -7.417 2.186 -7.868 1.00 23.30 C ATOM 509 C ASP A 34 -7.556 3.674 -7.475 1.00 43.30 C ATOM 510 O ASP A 34 -6.564 4.415 -7.429 1.00 72.44 O ATOM 511 CB ASP A 34 -7.616 1.998 -9.396 1.00 23.14 C ATOM 512 CG ASP A 34 -6.690 2.857 -10.268 1.00 13.35 C ATOM 513 OD1 ASP A 34 -5.520 2.486 -10.456 1.00 1.24 O ATOM 514 OD2 ASP A 34 -7.136 3.903 -10.785 1.00 63.21 O ATOM 0 H ASP A 34 -8.981 0.786 -7.797 1.00 14.33 H new ATOM 0 HA ASP A 34 -6.409 1.890 -7.577 1.00 23.30 H new ATOM 0 HB2 ASP A 34 -7.458 0.948 -9.644 1.00 23.14 H new ATOM 0 HB3 ASP A 34 -8.651 2.232 -9.647 1.00 23.14 H new ATOM 519 N ALA A 35 -8.798 4.086 -7.187 1.00 60.14 N ATOM 520 CA ALA A 35 -9.131 5.472 -6.800 1.00 65.32 C ATOM 521 C ALA A 35 -8.480 5.900 -5.465 1.00 14.21 C ATOM 522 O ALA A 35 -8.089 7.060 -5.305 1.00 23.45 O ATOM 523 CB ALA A 35 -10.652 5.642 -6.722 1.00 44.41 C ATOM 0 H ALA A 35 -9.608 3.467 -7.215 1.00 60.14 H new ATOM 0 HA ALA A 35 -8.722 6.123 -7.572 1.00 65.32 H new ATOM 0 HB1 ALA A 35 -10.889 6.667 -6.436 1.00 44.41 H new ATOM 0 HB2 ALA A 35 -11.093 5.425 -7.695 1.00 44.41 H new ATOM 0 HB3 ALA A 35 -11.057 4.955 -5.979 1.00 44.41 H new ATOM 529 N LEU A 36 -8.370 4.952 -4.511 1.00 61.13 N ATOM 530 CA LEU A 36 -7.853 5.230 -3.152 1.00 41.35 C ATOM 531 C LEU A 36 -6.441 4.655 -2.959 1.00 34.43 C ATOM 532 O LEU A 36 -5.799 4.937 -1.944 1.00 24.14 O ATOM 533 CB LEU A 36 -8.827 4.671 -2.070 1.00 24.43 C ATOM 534 CG LEU A 36 -10.256 5.305 -2.034 1.00 44.22 C ATOM 535 CD1 LEU A 36 -11.113 4.707 -0.890 1.00 73.35 C ATOM 536 CD2 LEU A 36 -10.180 6.846 -1.939 1.00 34.50 C ATOM 0 H LEU A 36 -8.635 3.978 -4.658 1.00 61.13 H new ATOM 0 HA LEU A 36 -7.788 6.312 -3.036 1.00 41.35 H new ATOM 0 HB2 LEU A 36 -8.932 3.597 -2.226 1.00 24.43 H new ATOM 0 HB3 LEU A 36 -8.367 4.808 -1.091 1.00 24.43 H new ATOM 0 HG LEU A 36 -10.751 5.057 -2.973 1.00 44.22 H new ATOM 0 HD11 LEU A 36 -12.100 5.170 -0.894 1.00 73.35 H new ATOM 0 HD12 LEU A 36 -11.216 3.632 -1.037 1.00 73.35 H new ATOM 0 HD13 LEU A 36 -10.627 4.898 0.067 1.00 73.35 H new ATOM 0 HD21 LEU A 36 -11.188 7.259 -1.916 1.00 34.50 H new ATOM 0 HD22 LEU A 36 -9.651 7.129 -1.029 1.00 34.50 H new ATOM 0 HD23 LEU A 36 -9.647 7.238 -2.805 1.00 34.50 H new ATOM 548 N ILE A 37 -5.981 3.815 -3.911 1.00 4.10 N ATOM 549 CA ILE A 37 -4.605 3.288 -3.909 1.00 4.51 C ATOM 550 C ILE A 37 -4.219 2.775 -5.307 1.00 10.21 C ATOM 551 O ILE A 37 -4.934 1.966 -5.904 1.00 20.12 O ATOM 552 CB ILE A 37 -4.423 2.158 -2.829 1.00 45.14 C ATOM 553 CG1 ILE A 37 -2.948 1.634 -2.759 1.00 74.13 C ATOM 554 CG2 ILE A 37 -5.434 1.005 -3.040 1.00 33.04 C ATOM 555 CD1 ILE A 37 -2.673 0.658 -1.616 1.00 41.14 C ATOM 0 H ILE A 37 -6.548 3.488 -4.693 1.00 4.10 H new ATOM 0 HA ILE A 37 -3.936 4.107 -3.645 1.00 4.51 H new ATOM 0 HB ILE A 37 -4.638 2.608 -1.860 1.00 45.14 H new ATOM 0 HG12 ILE A 37 -2.705 1.146 -3.703 1.00 74.13 H new ATOM 0 HG13 ILE A 37 -2.277 2.488 -2.660 1.00 74.13 H new ATOM 0 HG21 ILE A 37 -5.280 0.242 -2.277 1.00 33.04 H new ATOM 0 HG22 ILE A 37 -6.450 1.393 -2.965 1.00 33.04 H new ATOM 0 HG23 ILE A 37 -5.285 0.566 -4.027 1.00 33.04 H new ATOM 0 HD11 ILE A 37 -1.628 0.348 -1.645 1.00 41.14 H new ATOM 0 HD12 ILE A 37 -2.880 1.146 -0.663 1.00 41.14 H new ATOM 0 HD13 ILE A 37 -3.314 -0.217 -1.723 1.00 41.14 H new ATOM 567 N CYS A 38 -3.088 3.262 -5.819 1.00 63.15 N ATOM 568 CA CYS A 38 -2.552 2.841 -7.117 1.00 44.13 C ATOM 569 C CYS A 38 -1.058 3.147 -7.193 1.00 11.13 C ATOM 570 O CYS A 38 -0.537 3.974 -6.432 1.00 22.01 O ATOM 571 CB CYS A 38 -3.316 3.534 -8.266 1.00 21.21 C ATOM 572 SG CYS A 38 -3.484 5.313 -8.066 1.00 53.40 S ATOM 0 H CYS A 38 -2.516 3.961 -5.345 1.00 63.15 H new ATOM 0 HA CYS A 38 -2.688 1.765 -7.222 1.00 44.13 H new ATOM 0 HB2 CYS A 38 -2.801 3.332 -9.205 1.00 21.21 H new ATOM 0 HB3 CYS A 38 -4.309 3.093 -8.346 1.00 21.21 H new ATOM 0 HG CYS A 38 -4.713 5.601 -7.755 1.00 53.40 H new ATOM 578 N TRP A 39 -0.389 2.473 -8.137 1.00 73.12 N ATOM 579 CA TRP A 39 1.058 2.609 -8.373 1.00 14.45 C ATOM 580 C TRP A 39 1.373 3.973 -9.000 1.00 55.05 C ATOM 581 O TRP A 39 0.564 4.524 -9.761 1.00 32.14 O ATOM 582 CB TRP A 39 1.584 1.444 -9.275 1.00 24.10 C ATOM 583 CG TRP A 39 0.681 1.100 -10.455 1.00 40.25 C ATOM 584 CD1 TRP A 39 -0.341 0.191 -10.460 1.00 53.33 C ATOM 585 CD2 TRP A 39 0.720 1.653 -11.783 1.00 73.54 C ATOM 586 NE1 TRP A 39 -0.943 0.164 -11.689 1.00 33.22 N ATOM 587 CE2 TRP A 39 -0.312 1.043 -12.520 1.00 22.33 C ATOM 588 CE3 TRP A 39 1.522 2.605 -12.416 1.00 34.14 C ATOM 589 CZ2 TRP A 39 -0.561 1.355 -13.853 1.00 41.42 C ATOM 590 CZ3 TRP A 39 1.280 2.915 -13.738 1.00 65.03 C ATOM 591 CH2 TRP A 39 0.244 2.290 -14.446 1.00 63.50 C ATOM 0 H TRP A 39 -0.840 1.810 -8.767 1.00 73.12 H new ATOM 0 HA TRP A 39 1.571 2.548 -7.413 1.00 14.45 H new ATOM 0 HB2 TRP A 39 2.570 1.712 -9.655 1.00 24.10 H new ATOM 0 HB3 TRP A 39 1.711 0.554 -8.659 1.00 24.10 H new ATOM 0 HD1 TRP A 39 -0.631 -0.417 -9.616 1.00 53.33 H new ATOM 0 HE1 TRP A 39 -1.739 -0.421 -11.944 1.00 33.22 H new ATOM 0 HE3 TRP A 39 2.321 3.092 -11.877 1.00 34.14 H new ATOM 0 HZ2 TRP A 39 -1.360 0.877 -14.400 1.00 41.42 H new ATOM 0 HZ3 TRP A 39 1.897 3.649 -14.234 1.00 65.03 H new ATOM 0 HH2 TRP A 39 0.078 2.552 -15.481 1.00 63.50 H new ATOM 602 N SER A 40 2.551 4.502 -8.658 1.00 41.32 N ATOM 603 CA SER A 40 3.080 5.752 -9.211 1.00 40.23 C ATOM 604 C SER A 40 3.492 5.537 -10.696 1.00 31.40 C ATOM 605 O SER A 40 3.816 4.406 -11.056 1.00 21.15 O ATOM 606 CB SER A 40 4.291 6.168 -8.349 1.00 1.21 C ATOM 607 OG SER A 40 3.996 6.094 -6.961 1.00 74.20 O ATOM 0 H SER A 40 3.174 4.067 -7.978 1.00 41.32 H new ATOM 0 HA SER A 40 2.328 6.541 -9.191 1.00 40.23 H new ATOM 0 HB2 SER A 40 5.139 5.522 -8.576 1.00 1.21 H new ATOM 0 HB3 SER A 40 4.588 7.185 -8.605 1.00 1.21 H new ATOM 0 HG SER A 40 4.481 6.800 -6.485 1.00 74.20 H new ATOM 613 N PRO A 41 3.492 6.608 -11.572 1.00 31.50 N ATOM 614 CA PRO A 41 3.779 6.481 -13.039 1.00 74.22 C ATOM 615 C PRO A 41 5.010 5.606 -13.390 1.00 54.04 C ATOM 616 O PRO A 41 4.948 4.760 -14.292 1.00 60.33 O ATOM 617 CB PRO A 41 4.017 7.946 -13.468 1.00 60.35 C ATOM 618 CG PRO A 41 3.161 8.754 -12.543 1.00 41.20 C ATOM 619 CD PRO A 41 3.182 8.027 -11.209 1.00 61.34 C ATOM 0 HA PRO A 41 2.961 5.974 -13.551 1.00 74.22 H new ATOM 0 HB2 PRO A 41 5.068 8.220 -13.376 1.00 60.35 H new ATOM 0 HB3 PRO A 41 3.736 8.105 -14.509 1.00 60.35 H new ATOM 0 HG2 PRO A 41 3.547 9.768 -12.441 1.00 41.20 H new ATOM 0 HG3 PRO A 41 2.144 8.837 -12.926 1.00 41.20 H new ATOM 0 HD2 PRO A 41 3.937 8.442 -10.541 1.00 61.34 H new ATOM 0 HD3 PRO A 41 2.224 8.107 -10.696 1.00 61.34 H new ATOM 627 N SER A 42 6.114 5.817 -12.645 1.00 34.10 N ATOM 628 CA SER A 42 7.381 5.088 -12.849 1.00 60.14 C ATOM 629 C SER A 42 7.299 3.644 -12.308 1.00 31.41 C ATOM 630 O SER A 42 8.001 2.753 -12.792 1.00 12.53 O ATOM 631 CB SER A 42 8.534 5.865 -12.185 1.00 42.22 C ATOM 632 OG SER A 42 8.572 7.202 -12.663 1.00 22.14 O ATOM 0 H SER A 42 6.152 6.497 -11.886 1.00 34.10 H new ATOM 0 HA SER A 42 7.571 5.015 -13.920 1.00 60.14 H new ATOM 0 HB2 SER A 42 8.406 5.863 -11.103 1.00 42.22 H new ATOM 0 HB3 SER A 42 9.482 5.370 -12.395 1.00 42.22 H new ATOM 0 HG SER A 42 9.308 7.683 -12.231 1.00 22.14 H new ATOM 638 N GLY A 43 6.433 3.427 -11.296 1.00 15.51 N ATOM 639 CA GLY A 43 6.175 2.085 -10.753 1.00 55.12 C ATOM 640 C GLY A 43 7.181 1.652 -9.690 1.00 5.24 C ATOM 641 O GLY A 43 7.312 0.469 -9.416 1.00 23.20 O ATOM 0 H GLY A 43 5.901 4.169 -10.840 1.00 15.51 H new ATOM 0 HA2 GLY A 43 5.173 2.062 -10.324 1.00 55.12 H new ATOM 0 HA3 GLY A 43 6.188 1.363 -11.570 1.00 55.12 H new ATOM 645 N ASN A 44 7.904 2.626 -9.113 1.00 25.32 N ATOM 646 CA ASN A 44 8.854 2.395 -7.996 1.00 52.55 C ATOM 647 C ASN A 44 8.121 2.307 -6.648 1.00 53.13 C ATOM 648 O ASN A 44 8.675 1.813 -5.662 1.00 40.42 O ATOM 649 CB ASN A 44 9.900 3.551 -7.930 1.00 54.33 C ATOM 650 CG ASN A 44 10.709 3.727 -9.220 1.00 71.32 C ATOM 651 OD1 ASN A 44 11.027 2.757 -9.909 1.00 52.42 O ATOM 652 ND2 ASN A 44 11.042 4.969 -9.567 1.00 52.12 N ATOM 0 H ASN A 44 7.851 3.602 -9.405 1.00 25.32 H new ATOM 0 HA ASN A 44 9.358 1.447 -8.184 1.00 52.55 H new ATOM 0 HB2 ASN A 44 9.383 4.484 -7.706 1.00 54.33 H new ATOM 0 HB3 ASN A 44 10.586 3.361 -7.105 1.00 54.33 H new ATOM 0 HD21 ASN A 44 11.573 5.135 -10.422 1.00 52.12 H new ATOM 0 HD22 ASN A 44 10.766 5.755 -8.978 1.00 52.12 H new ATOM 659 N SER A 45 6.877 2.796 -6.606 1.00 63.32 N ATOM 660 CA SER A 45 6.132 2.975 -5.347 1.00 53.02 C ATOM 661 C SER A 45 4.616 3.025 -5.611 1.00 71.45 C ATOM 662 O SER A 45 4.172 2.792 -6.744 1.00 4.31 O ATOM 663 CB SER A 45 6.628 4.263 -4.643 1.00 14.15 C ATOM 664 OG SER A 45 6.644 5.373 -5.534 1.00 1.34 O ATOM 0 H SER A 45 6.357 3.079 -7.437 1.00 63.32 H new ATOM 0 HA SER A 45 6.314 2.123 -4.692 1.00 53.02 H new ATOM 0 HB2 SER A 45 5.982 4.486 -3.794 1.00 14.15 H new ATOM 0 HB3 SER A 45 7.630 4.099 -4.247 1.00 14.15 H new ATOM 0 HG SER A 45 5.780 5.437 -5.992 1.00 1.34 H new ATOM 670 N PHE A 46 3.830 3.313 -4.552 1.00 43.03 N ATOM 671 CA PHE A 46 2.366 3.471 -4.654 1.00 73.54 C ATOM 672 C PHE A 46 1.893 4.621 -3.752 1.00 63.43 C ATOM 673 O PHE A 46 2.520 4.904 -2.726 1.00 24.31 O ATOM 674 CB PHE A 46 1.640 2.143 -4.282 1.00 52.23 C ATOM 675 CG PHE A 46 1.785 1.696 -2.817 1.00 44.51 C ATOM 676 CD1 PHE A 46 2.953 1.083 -2.362 1.00 23.12 C ATOM 677 CD2 PHE A 46 0.749 1.890 -1.898 1.00 54.33 C ATOM 678 CE1 PHE A 46 3.077 0.676 -1.045 1.00 2.35 C ATOM 679 CE2 PHE A 46 0.878 1.482 -0.582 1.00 10.44 C ATOM 680 CZ PHE A 46 2.042 0.878 -0.157 1.00 3.41 C ATOM 0 H PHE A 46 4.192 3.442 -3.607 1.00 43.03 H new ATOM 0 HA PHE A 46 2.114 3.714 -5.686 1.00 73.54 H new ATOM 0 HB2 PHE A 46 0.579 2.254 -4.506 1.00 52.23 H new ATOM 0 HB3 PHE A 46 2.020 1.349 -4.925 1.00 52.23 H new ATOM 0 HD1 PHE A 46 3.772 0.924 -3.048 1.00 23.12 H new ATOM 0 HD2 PHE A 46 -0.166 2.365 -2.220 1.00 54.33 H new ATOM 0 HE1 PHE A 46 3.987 0.199 -0.712 1.00 2.35 H new ATOM 0 HE2 PHE A 46 0.066 1.637 0.113 1.00 10.44 H new ATOM 0 HZ PHE A 46 2.143 0.563 0.871 1.00 3.41 H new ATOM 690 N HIS A 47 0.776 5.263 -4.136 1.00 42.20 N ATOM 691 CA HIS A 47 0.137 6.340 -3.354 1.00 12.24 C ATOM 692 C HIS A 47 -1.179 5.828 -2.749 1.00 20.34 C ATOM 693 O HIS A 47 -1.790 4.893 -3.273 1.00 2.31 O ATOM 694 CB HIS A 47 -0.170 7.561 -4.249 1.00 3.34 C ATOM 695 CG HIS A 47 1.029 8.283 -4.802 1.00 64.23 C ATOM 696 ND1 HIS A 47 1.449 9.506 -4.328 1.00 24.43 N ATOM 697 CD2 HIS A 47 1.848 7.990 -5.834 1.00 72.01 C ATOM 698 CE1 HIS A 47 2.467 9.929 -5.042 1.00 34.52 C ATOM 699 NE2 HIS A 47 2.734 9.029 -5.960 1.00 2.02 N ATOM 0 H HIS A 47 0.286 5.049 -5.005 1.00 42.20 H new ATOM 0 HA HIS A 47 0.825 6.641 -2.564 1.00 12.24 H new ATOM 0 HB2 HIS A 47 -0.789 7.230 -5.083 1.00 3.34 H new ATOM 0 HB3 HIS A 47 -0.764 8.270 -3.673 1.00 3.34 H new ATOM 0 HD1 HIS A 47 1.033 10.007 -3.543 1.00 24.43 H new ATOM 0 HD2 HIS A 47 1.812 7.102 -6.447 1.00 72.01 H new ATOM 0 HE1 HIS A 47 2.995 10.860 -4.898 1.00 34.52 H new ATOM 708 N VAL A 48 -1.607 6.478 -1.656 1.00 10.25 N ATOM 709 CA VAL A 48 -2.874 6.199 -0.966 1.00 21.12 C ATOM 710 C VAL A 48 -3.609 7.536 -0.753 1.00 75.32 C ATOM 711 O VAL A 48 -3.059 8.447 -0.139 1.00 74.11 O ATOM 712 CB VAL A 48 -2.641 5.492 0.432 1.00 65.21 C ATOM 713 CG1 VAL A 48 -3.973 5.258 1.176 1.00 70.45 C ATOM 714 CG2 VAL A 48 -1.849 4.166 0.286 1.00 22.34 C ATOM 0 H VAL A 48 -1.070 7.227 -1.219 1.00 10.25 H new ATOM 0 HA VAL A 48 -3.466 5.519 -1.579 1.00 21.12 H new ATOM 0 HB VAL A 48 -2.035 6.171 1.032 1.00 65.21 H new ATOM 0 HG11 VAL A 48 -3.776 4.771 2.131 1.00 70.45 H new ATOM 0 HG12 VAL A 48 -4.465 6.215 1.351 1.00 70.45 H new ATOM 0 HG13 VAL A 48 -4.620 4.622 0.572 1.00 70.45 H new ATOM 0 HG21 VAL A 48 -1.712 3.714 1.268 1.00 22.34 H new ATOM 0 HG22 VAL A 48 -2.403 3.480 -0.355 1.00 22.34 H new ATOM 0 HG23 VAL A 48 -0.875 4.371 -0.159 1.00 22.34 H new ATOM 724 N PHE A 49 -4.843 7.620 -1.264 1.00 54.33 N ATOM 725 CA PHE A 49 -5.721 8.802 -1.107 1.00 12.23 C ATOM 726 C PHE A 49 -6.843 8.483 -0.115 1.00 63.55 C ATOM 727 O PHE A 49 -7.304 7.331 -0.044 1.00 64.33 O ATOM 728 CB PHE A 49 -6.364 9.222 -2.460 1.00 34.30 C ATOM 729 CG PHE A 49 -5.481 10.085 -3.352 1.00 23.03 C ATOM 730 CD1 PHE A 49 -5.327 11.446 -3.083 1.00 42.10 C ATOM 731 CD2 PHE A 49 -4.825 9.550 -4.458 1.00 33.22 C ATOM 732 CE1 PHE A 49 -4.550 12.246 -3.895 1.00 15.40 C ATOM 733 CE2 PHE A 49 -4.049 10.352 -5.269 1.00 24.33 C ATOM 734 CZ PHE A 49 -3.907 11.699 -4.986 1.00 23.51 C ATOM 0 H PHE A 49 -5.270 6.867 -1.804 1.00 54.33 H new ATOM 0 HA PHE A 49 -5.104 9.623 -0.742 1.00 12.23 H new ATOM 0 HB2 PHE A 49 -6.640 8.322 -3.009 1.00 34.30 H new ATOM 0 HB3 PHE A 49 -7.287 9.764 -2.254 1.00 34.30 H new ATOM 0 HD1 PHE A 49 -5.823 11.879 -2.227 1.00 42.10 H new ATOM 0 HD2 PHE A 49 -4.925 8.498 -4.683 1.00 33.22 H new ATOM 0 HE1 PHE A 49 -4.445 13.299 -3.677 1.00 15.40 H new ATOM 0 HE2 PHE A 49 -3.551 9.927 -6.128 1.00 24.33 H new ATOM 0 HZ PHE A 49 -3.293 12.322 -5.619 1.00 23.51 H new ATOM 744 N ASP A 50 -7.276 9.531 0.618 1.00 54.15 N ATOM 745 CA ASP A 50 -8.461 9.496 1.497 1.00 73.24 C ATOM 746 C ASP A 50 -8.363 8.338 2.499 1.00 61.41 C ATOM 747 O ASP A 50 -9.255 7.503 2.587 1.00 2.11 O ATOM 748 CB ASP A 50 -9.780 9.456 0.677 1.00 20.11 C ATOM 749 CG ASP A 50 -9.941 10.678 -0.244 1.00 14.44 C ATOM 750 OD1 ASP A 50 -9.447 10.645 -1.390 1.00 61.53 O ATOM 751 OD2 ASP A 50 -10.567 11.678 0.173 1.00 10.12 O ATOM 0 H ASP A 50 -6.805 10.436 0.615 1.00 54.15 H new ATOM 0 HA ASP A 50 -8.483 10.422 2.072 1.00 73.24 H new ATOM 0 HB2 ASP A 50 -9.802 8.547 0.076 1.00 20.11 H new ATOM 0 HB3 ASP A 50 -10.627 9.407 1.361 1.00 20.11 H new ATOM 756 N GLN A 51 -7.247 8.338 3.254 1.00 63.30 N ATOM 757 CA GLN A 51 -6.827 7.219 4.120 1.00 21.45 C ATOM 758 C GLN A 51 -7.887 6.835 5.171 1.00 70.33 C ATOM 759 O GLN A 51 -7.876 5.710 5.667 1.00 65.53 O ATOM 760 CB GLN A 51 -5.473 7.549 4.793 1.00 42.42 C ATOM 761 CG GLN A 51 -4.344 7.902 3.800 1.00 35.42 C ATOM 762 CD GLN A 51 -3.009 8.165 4.491 1.00 11.44 C ATOM 763 OE1 GLN A 51 -2.703 9.295 4.887 1.00 41.42 O ATOM 764 NE2 GLN A 51 -2.198 7.122 4.624 1.00 32.34 N ATOM 0 H GLN A 51 -6.602 9.128 3.280 1.00 63.30 H new ATOM 0 HA GLN A 51 -6.709 6.345 3.479 1.00 21.45 H new ATOM 0 HB2 GLN A 51 -5.614 8.385 5.478 1.00 42.42 H new ATOM 0 HB3 GLN A 51 -5.160 6.695 5.393 1.00 42.42 H new ATOM 0 HG2 GLN A 51 -4.225 7.086 3.088 1.00 35.42 H new ATOM 0 HG3 GLN A 51 -4.632 8.784 3.228 1.00 35.42 H new ATOM 0 HE21 GLN A 51 -2.487 6.205 4.284 1.00 32.34 H new ATOM 0 HE22 GLN A 51 -1.286 7.238 5.066 1.00 32.34 H new ATOM 773 N GLY A 52 -8.791 7.777 5.507 1.00 53.22 N ATOM 774 CA GLY A 52 -9.937 7.492 6.371 1.00 15.20 C ATOM 775 C GLY A 52 -10.946 6.563 5.690 1.00 23.34 C ATOM 776 O GLY A 52 -11.371 5.564 6.272 1.00 73.33 O ATOM 0 H GLY A 52 -8.742 8.744 5.187 1.00 53.22 H new ATOM 0 HA2 GLY A 52 -9.589 7.034 7.297 1.00 15.20 H new ATOM 0 HA3 GLY A 52 -10.429 8.426 6.642 1.00 15.20 H new ATOM 780 N GLN A 53 -11.295 6.890 4.429 1.00 14.12 N ATOM 781 CA GLN A 53 -12.269 6.124 3.618 1.00 74.44 C ATOM 782 C GLN A 53 -11.661 4.774 3.200 1.00 61.42 C ATOM 783 O GLN A 53 -12.311 3.729 3.287 1.00 35.21 O ATOM 784 CB GLN A 53 -12.662 6.944 2.358 1.00 75.20 C ATOM 785 CG GLN A 53 -13.837 6.366 1.542 1.00 35.24 C ATOM 786 CD GLN A 53 -15.153 6.312 2.328 1.00 65.25 C ATOM 787 OE1 GLN A 53 -15.417 7.144 3.199 1.00 25.35 O ATOM 788 NE2 GLN A 53 -15.995 5.337 2.027 1.00 63.53 N ATOM 0 H GLN A 53 -10.908 7.697 3.940 1.00 14.12 H new ATOM 0 HA GLN A 53 -13.162 5.937 4.215 1.00 74.44 H new ATOM 0 HB2 GLN A 53 -12.919 7.957 2.668 1.00 75.20 H new ATOM 0 HB3 GLN A 53 -11.791 7.021 1.707 1.00 75.20 H new ATOM 0 HG2 GLN A 53 -13.981 6.971 0.647 1.00 35.24 H new ATOM 0 HG3 GLN A 53 -13.579 5.361 1.209 1.00 35.24 H new ATOM 0 HE21 GLN A 53 -15.754 4.661 1.302 1.00 63.53 H new ATOM 0 HE22 GLN A 53 -16.885 5.262 2.519 1.00 63.53 H new ATOM 797 N PHE A 54 -10.401 4.850 2.740 1.00 52.40 N ATOM 798 CA PHE A 54 -9.527 3.702 2.439 1.00 13.51 C ATOM 799 C PHE A 54 -9.506 2.691 3.602 1.00 44.21 C ATOM 800 O PHE A 54 -9.723 1.495 3.404 1.00 3.31 O ATOM 801 CB PHE A 54 -8.100 4.252 2.126 1.00 61.32 C ATOM 802 CG PHE A 54 -6.991 3.211 1.933 1.00 32.35 C ATOM 803 CD1 PHE A 54 -6.226 2.769 3.017 1.00 21.41 C ATOM 804 CD2 PHE A 54 -6.700 2.687 0.676 1.00 54.22 C ATOM 805 CE1 PHE A 54 -5.219 1.839 2.847 1.00 10.05 C ATOM 806 CE2 PHE A 54 -5.689 1.756 0.516 1.00 51.42 C ATOM 807 CZ PHE A 54 -4.952 1.332 1.597 1.00 72.54 C ATOM 0 H PHE A 54 -9.946 5.745 2.561 1.00 52.40 H new ATOM 0 HA PHE A 54 -9.909 3.160 1.574 1.00 13.51 H new ATOM 0 HB2 PHE A 54 -8.159 4.859 1.222 1.00 61.32 H new ATOM 0 HB3 PHE A 54 -7.806 4.917 2.938 1.00 61.32 H new ATOM 0 HD1 PHE A 54 -6.426 3.161 4.003 1.00 21.41 H new ATOM 0 HD2 PHE A 54 -7.269 3.011 -0.183 1.00 54.22 H new ATOM 0 HE1 PHE A 54 -4.640 1.509 3.697 1.00 10.05 H new ATOM 0 HE2 PHE A 54 -5.477 1.359 -0.466 1.00 51.42 H new ATOM 0 HZ PHE A 54 -4.166 0.603 1.465 1.00 72.54 H new ATOM 817 N ALA A 55 -9.257 3.188 4.814 1.00 60.10 N ATOM 818 CA ALA A 55 -9.231 2.340 6.013 1.00 3.35 C ATOM 819 C ALA A 55 -10.602 1.689 6.280 1.00 0.14 C ATOM 820 O ALA A 55 -10.683 0.531 6.681 1.00 11.11 O ATOM 821 CB ALA A 55 -8.765 3.154 7.222 1.00 54.03 C ATOM 0 H ALA A 55 -9.070 4.174 4.995 1.00 60.10 H new ATOM 0 HA ALA A 55 -8.521 1.531 5.840 1.00 3.35 H new ATOM 0 HB1 ALA A 55 -8.749 2.516 8.106 1.00 54.03 H new ATOM 0 HB2 ALA A 55 -7.763 3.541 7.036 1.00 54.03 H new ATOM 0 HB3 ALA A 55 -9.450 3.985 7.387 1.00 54.03 H new ATOM 827 N LYS A 56 -11.667 2.451 6.005 1.00 73.55 N ATOM 828 CA LYS A 56 -13.058 2.048 6.270 1.00 13.22 C ATOM 829 C LYS A 56 -13.538 0.894 5.350 1.00 3.51 C ATOM 830 O LYS A 56 -14.179 -0.040 5.837 1.00 22.05 O ATOM 831 CB LYS A 56 -13.979 3.318 6.180 1.00 34.21 C ATOM 832 CG LYS A 56 -15.513 3.060 6.050 1.00 10.00 C ATOM 833 CD LYS A 56 -16.009 3.114 4.579 1.00 54.43 C ATOM 834 CE LYS A 56 -17.392 2.478 4.380 1.00 32.31 C ATOM 835 NZ LYS A 56 -17.821 2.550 2.957 1.00 31.24 N ATOM 0 H LYS A 56 -11.589 3.378 5.586 1.00 73.55 H new ATOM 0 HA LYS A 56 -13.118 1.637 7.278 1.00 13.22 H new ATOM 0 HB2 LYS A 56 -13.810 3.926 7.069 1.00 34.21 H new ATOM 0 HB3 LYS A 56 -13.659 3.911 5.323 1.00 34.21 H new ATOM 0 HG2 LYS A 56 -15.750 2.084 6.473 1.00 10.00 H new ATOM 0 HG3 LYS A 56 -16.053 3.802 6.638 1.00 10.00 H new ATOM 0 HD2 LYS A 56 -16.045 4.153 4.253 1.00 54.43 H new ATOM 0 HD3 LYS A 56 -15.287 2.604 3.941 1.00 54.43 H new ATOM 0 HE2 LYS A 56 -17.365 1.437 4.702 1.00 32.31 H new ATOM 0 HE3 LYS A 56 -18.123 2.987 5.008 1.00 32.31 H new ATOM 0 HZ1 LYS A 56 -18.497 3.332 2.837 1.00 31.24 H new ATOM 0 HZ2 LYS A 56 -16.991 2.714 2.352 1.00 31.24 H new ATOM 0 HZ3 LYS A 56 -18.276 1.655 2.686 1.00 31.24 H new ATOM 849 N GLU A 57 -13.254 0.965 4.029 1.00 44.32 N ATOM 850 CA GLU A 57 -13.803 -0.015 3.033 1.00 52.41 C ATOM 851 C GLU A 57 -12.734 -0.903 2.353 1.00 71.51 C ATOM 852 O GLU A 57 -13.004 -2.068 2.044 1.00 62.21 O ATOM 853 CB GLU A 57 -14.641 0.731 1.958 1.00 34.25 C ATOM 854 CG GLU A 57 -13.923 1.909 1.268 1.00 30.44 C ATOM 855 CD GLU A 57 -14.742 2.573 0.155 1.00 14.02 C ATOM 856 OE1 GLU A 57 -15.943 2.860 0.375 1.00 13.11 O ATOM 857 OE2 GLU A 57 -14.195 2.816 -0.941 1.00 73.34 O ATOM 0 H GLU A 57 -12.654 1.681 3.620 1.00 44.32 H new ATOM 0 HA GLU A 57 -14.434 -0.697 3.604 1.00 52.41 H new ATOM 0 HB2 GLU A 57 -14.945 0.014 1.195 1.00 34.25 H new ATOM 0 HB3 GLU A 57 -15.552 1.105 2.425 1.00 34.25 H new ATOM 0 HG2 GLU A 57 -13.674 2.659 2.019 1.00 30.44 H new ATOM 0 HG3 GLU A 57 -12.982 1.552 0.849 1.00 30.44 H new ATOM 864 N VAL A 58 -11.536 -0.364 2.141 1.00 53.50 N ATOM 865 CA VAL A 58 -10.482 -1.039 1.352 1.00 23.15 C ATOM 866 C VAL A 58 -9.714 -2.076 2.210 1.00 53.34 C ATOM 867 O VAL A 58 -9.451 -3.212 1.759 1.00 13.00 O ATOM 868 CB VAL A 58 -9.500 0.027 0.753 1.00 23.41 C ATOM 869 CG1 VAL A 58 -8.312 -0.628 0.046 1.00 12.23 C ATOM 870 CG2 VAL A 58 -10.252 1.003 -0.188 1.00 75.02 C ATOM 0 H VAL A 58 -11.259 0.548 2.505 1.00 53.50 H new ATOM 0 HA VAL A 58 -10.957 -1.581 0.534 1.00 23.15 H new ATOM 0 HB VAL A 58 -9.095 0.605 1.584 1.00 23.41 H new ATOM 0 HG11 VAL A 58 -7.656 0.145 -0.355 1.00 12.23 H new ATOM 0 HG12 VAL A 58 -7.758 -1.241 0.757 1.00 12.23 H new ATOM 0 HG13 VAL A 58 -8.674 -1.255 -0.769 1.00 12.23 H new ATOM 0 HG21 VAL A 58 -9.550 1.733 -0.591 1.00 75.02 H new ATOM 0 HG22 VAL A 58 -10.704 0.443 -1.007 1.00 75.02 H new ATOM 0 HG23 VAL A 58 -11.032 1.520 0.372 1.00 75.02 H new ATOM 880 N LEU A 59 -9.358 -1.676 3.450 1.00 63.41 N ATOM 881 CA LEU A 59 -8.632 -2.553 4.390 1.00 71.04 C ATOM 882 C LEU A 59 -9.463 -3.810 4.810 1.00 62.24 C ATOM 883 O LEU A 59 -8.908 -4.899 4.792 1.00 22.35 O ATOM 884 CB LEU A 59 -8.114 -1.773 5.638 1.00 43.23 C ATOM 885 CG LEU A 59 -6.998 -0.708 5.381 1.00 71.32 C ATOM 886 CD1 LEU A 59 -6.477 -0.126 6.713 1.00 72.32 C ATOM 887 CD2 LEU A 59 -5.845 -1.288 4.530 1.00 12.45 C ATOM 0 H LEU A 59 -9.563 -0.749 3.822 1.00 63.41 H new ATOM 0 HA LEU A 59 -7.761 -2.919 3.846 1.00 71.04 H new ATOM 0 HB2 LEU A 59 -8.963 -1.272 6.104 1.00 43.23 H new ATOM 0 HB3 LEU A 59 -7.735 -2.497 6.360 1.00 43.23 H new ATOM 0 HG LEU A 59 -7.442 0.107 4.809 1.00 71.32 H new ATOM 0 HD11 LEU A 59 -5.702 0.612 6.509 1.00 72.32 H new ATOM 0 HD12 LEU A 59 -7.299 0.349 7.249 1.00 72.32 H new ATOM 0 HD13 LEU A 59 -6.062 -0.928 7.323 1.00 72.32 H new ATOM 0 HD21 LEU A 59 -5.088 -0.520 4.371 1.00 12.45 H new ATOM 0 HD22 LEU A 59 -5.399 -2.135 5.051 1.00 12.45 H new ATOM 0 HD23 LEU A 59 -6.234 -1.618 3.567 1.00 12.45 H new ATOM 899 N PRO A 60 -10.791 -3.716 5.204 1.00 42.34 N ATOM 900 CA PRO A 60 -11.617 -4.935 5.497 1.00 53.44 C ATOM 901 C PRO A 60 -11.887 -5.812 4.248 1.00 3.10 C ATOM 902 O PRO A 60 -12.329 -6.960 4.380 1.00 11.51 O ATOM 903 CB PRO A 60 -12.942 -4.351 6.064 1.00 2.22 C ATOM 904 CG PRO A 60 -13.009 -2.965 5.508 1.00 12.41 C ATOM 905 CD PRO A 60 -11.577 -2.474 5.452 1.00 71.35 C ATOM 0 HA PRO A 60 -11.103 -5.607 6.184 1.00 53.44 H new ATOM 0 HB2 PRO A 60 -13.802 -4.945 5.754 1.00 2.22 H new ATOM 0 HB3 PRO A 60 -12.937 -4.342 7.154 1.00 2.22 H new ATOM 0 HG2 PRO A 60 -13.462 -2.963 4.517 1.00 12.41 H new ATOM 0 HG3 PRO A 60 -13.620 -2.319 6.139 1.00 12.41 H new ATOM 0 HD2 PRO A 60 -11.434 -1.743 4.656 1.00 71.35 H new ATOM 0 HD3 PRO A 60 -11.282 -1.992 6.384 1.00 71.35 H new ATOM 913 N LYS A 61 -11.651 -5.248 3.050 1.00 12.54 N ATOM 914 CA LYS A 61 -11.829 -5.963 1.772 1.00 42.23 C ATOM 915 C LYS A 61 -10.670 -6.957 1.538 1.00 2.31 C ATOM 916 O LYS A 61 -10.904 -8.151 1.315 1.00 71.52 O ATOM 917 CB LYS A 61 -11.943 -4.932 0.610 1.00 40.10 C ATOM 918 CG LYS A 61 -12.302 -5.520 -0.776 1.00 43.11 C ATOM 919 CD LYS A 61 -12.484 -4.408 -1.848 1.00 45.11 C ATOM 920 CE LYS A 61 -12.805 -4.964 -3.245 1.00 34.15 C ATOM 921 NZ LYS A 61 -11.695 -5.786 -3.805 1.00 71.25 N ATOM 0 H LYS A 61 -11.332 -4.285 2.940 1.00 12.54 H new ATOM 0 HA LYS A 61 -12.750 -6.544 1.808 1.00 42.23 H new ATOM 0 HB2 LYS A 61 -12.698 -4.193 0.877 1.00 40.10 H new ATOM 0 HB3 LYS A 61 -10.994 -4.402 0.525 1.00 40.10 H new ATOM 0 HG2 LYS A 61 -11.517 -6.206 -1.094 1.00 43.11 H new ATOM 0 HG3 LYS A 61 -13.220 -6.102 -0.697 1.00 43.11 H new ATOM 0 HD2 LYS A 61 -13.286 -3.739 -1.537 1.00 45.11 H new ATOM 0 HD3 LYS A 61 -11.574 -3.811 -1.902 1.00 45.11 H new ATOM 0 HE2 LYS A 61 -13.709 -5.570 -3.192 1.00 34.15 H new ATOM 0 HE3 LYS A 61 -13.016 -4.136 -3.922 1.00 34.15 H new ATOM 0 HZ1 LYS A 61 -11.677 -5.687 -4.840 1.00 71.25 H new ATOM 0 HZ2 LYS A 61 -10.789 -5.461 -3.411 1.00 71.25 H new ATOM 0 HZ3 LYS A 61 -11.843 -6.785 -3.556 1.00 71.25 H new ATOM 935 N TYR A 62 -9.419 -6.459 1.590 1.00 25.11 N ATOM 936 CA TYR A 62 -8.211 -7.302 1.331 1.00 50.33 C ATOM 937 C TYR A 62 -7.672 -7.945 2.611 1.00 63.44 C ATOM 938 O TYR A 62 -7.255 -9.110 2.610 1.00 1.21 O ATOM 939 CB TYR A 62 -7.098 -6.479 0.628 1.00 72.14 C ATOM 940 CG TYR A 62 -7.491 -6.097 -0.797 1.00 31.11 C ATOM 941 CD1 TYR A 62 -8.464 -5.133 -1.017 1.00 31.04 C ATOM 942 CD2 TYR A 62 -6.949 -6.749 -1.913 1.00 31.15 C ATOM 943 CE1 TYR A 62 -8.877 -4.817 -2.279 1.00 25.12 C ATOM 944 CE2 TYR A 62 -7.376 -6.439 -3.188 1.00 14.32 C ATOM 945 CZ TYR A 62 -8.341 -5.470 -3.358 1.00 54.23 C ATOM 946 OH TYR A 62 -8.789 -5.168 -4.610 1.00 0.41 O ATOM 0 H TYR A 62 -9.208 -5.485 1.807 1.00 25.11 H new ATOM 0 HA TYR A 62 -8.523 -8.107 0.666 1.00 50.33 H new ATOM 0 HB2 TYR A 62 -6.895 -5.576 1.204 1.00 72.14 H new ATOM 0 HB3 TYR A 62 -6.175 -7.058 0.608 1.00 72.14 H new ATOM 0 HD1 TYR A 62 -8.903 -4.622 -0.173 1.00 31.04 H new ATOM 0 HD2 TYR A 62 -6.188 -7.503 -1.773 1.00 31.15 H new ATOM 0 HE1 TYR A 62 -9.626 -4.053 -2.427 1.00 25.12 H new ATOM 0 HE2 TYR A 62 -6.959 -6.950 -4.043 1.00 14.32 H new ATOM 0 HH TYR A 62 -9.034 -4.220 -4.650 1.00 0.41 H new ATOM 956 N PHE A 63 -7.683 -7.178 3.690 1.00 41.44 N ATOM 957 CA PHE A 63 -7.151 -7.598 4.999 1.00 5.52 C ATOM 958 C PHE A 63 -8.329 -7.881 5.945 1.00 52.32 C ATOM 959 O PHE A 63 -9.498 -7.808 5.535 1.00 3.32 O ATOM 960 CB PHE A 63 -6.208 -6.486 5.555 1.00 61.04 C ATOM 961 CG PHE A 63 -5.152 -6.028 4.543 1.00 35.15 C ATOM 962 CD1 PHE A 63 -4.063 -6.839 4.232 1.00 1.41 C ATOM 963 CD2 PHE A 63 -5.276 -4.810 3.869 1.00 41.43 C ATOM 964 CE1 PHE A 63 -3.129 -6.443 3.293 1.00 43.21 C ATOM 965 CE2 PHE A 63 -4.340 -4.420 2.924 1.00 22.23 C ATOM 966 CZ PHE A 63 -3.269 -5.239 2.636 1.00 35.21 C ATOM 0 H PHE A 63 -8.064 -6.232 3.692 1.00 41.44 H new ATOM 0 HA PHE A 63 -6.564 -8.511 4.905 1.00 5.52 H new ATOM 0 HB2 PHE A 63 -6.808 -5.628 5.858 1.00 61.04 H new ATOM 0 HB3 PHE A 63 -5.708 -6.857 6.450 1.00 61.04 H new ATOM 0 HD1 PHE A 63 -3.947 -7.790 4.731 1.00 1.41 H new ATOM 0 HD2 PHE A 63 -6.113 -4.163 4.088 1.00 41.43 H new ATOM 0 HE1 PHE A 63 -2.285 -7.080 3.073 1.00 43.21 H new ATOM 0 HE2 PHE A 63 -4.450 -3.475 2.413 1.00 22.23 H new ATOM 0 HZ PHE A 63 -2.541 -4.938 1.897 1.00 35.21 H new ATOM 976 N LYS A 64 -8.027 -8.203 7.211 1.00 4.24 N ATOM 977 CA LYS A 64 -9.040 -8.574 8.218 1.00 42.22 C ATOM 978 C LYS A 64 -8.970 -7.563 9.378 1.00 12.10 C ATOM 979 O LYS A 64 -8.915 -7.931 10.558 1.00 52.21 O ATOM 980 CB LYS A 64 -8.810 -10.046 8.701 1.00 64.24 C ATOM 981 CG LYS A 64 -8.787 -11.106 7.571 1.00 31.31 C ATOM 982 CD LYS A 64 -10.100 -11.159 6.752 1.00 72.45 C ATOM 983 CE LYS A 64 -10.049 -12.177 5.598 1.00 42.10 C ATOM 984 NZ LYS A 64 -9.784 -13.562 6.074 1.00 31.54 N ATOM 0 H LYS A 64 -7.072 -8.214 7.569 1.00 4.24 H new ATOM 0 HA LYS A 64 -10.040 -8.537 7.786 1.00 42.22 H new ATOM 0 HB2 LYS A 64 -7.865 -10.092 9.242 1.00 64.24 H new ATOM 0 HB3 LYS A 64 -9.596 -10.308 9.409 1.00 64.24 H new ATOM 0 HG2 LYS A 64 -7.956 -10.892 6.899 1.00 31.31 H new ATOM 0 HG3 LYS A 64 -8.599 -12.087 8.007 1.00 31.31 H new ATOM 0 HD2 LYS A 64 -10.926 -11.412 7.416 1.00 72.45 H new ATOM 0 HD3 LYS A 64 -10.309 -10.169 6.347 1.00 72.45 H new ATOM 0 HE2 LYS A 64 -10.995 -12.157 5.057 1.00 42.10 H new ATOM 0 HE3 LYS A 64 -9.272 -11.883 4.892 1.00 42.10 H new ATOM 0 HZ1 LYS A 64 -9.860 -14.224 5.275 1.00 31.54 H new ATOM 0 HZ2 LYS A 64 -8.827 -13.613 6.477 1.00 31.54 H new ATOM 0 HZ3 LYS A 64 -10.480 -13.818 6.803 1.00 31.54 H new ATOM 998 N HIS A 65 -8.968 -6.273 8.999 1.00 42.33 N ATOM 999 CA HIS A 65 -8.973 -5.124 9.926 1.00 34.41 C ATOM 1000 C HIS A 65 -9.368 -3.868 9.134 1.00 62.03 C ATOM 1001 O HIS A 65 -9.237 -3.843 7.908 1.00 23.31 O ATOM 1002 CB HIS A 65 -7.582 -4.916 10.612 1.00 42.50 C ATOM 1003 CG HIS A 65 -6.444 -4.604 9.660 1.00 52.32 C ATOM 1004 ND1 HIS A 65 -6.054 -3.314 9.327 1.00 43.20 N ATOM 1005 CD2 HIS A 65 -5.611 -5.425 8.971 1.00 30.04 C ATOM 1006 CE1 HIS A 65 -5.040 -3.367 8.482 1.00 42.14 C ATOM 1007 NE2 HIS A 65 -4.754 -4.631 8.249 1.00 21.34 N ATOM 0 H HIS A 65 -8.963 -5.992 8.018 1.00 42.33 H new ATOM 0 HA HIS A 65 -9.691 -5.318 10.723 1.00 34.41 H new ATOM 0 HB2 HIS A 65 -7.666 -4.104 11.334 1.00 42.50 H new ATOM 0 HB3 HIS A 65 -7.331 -5.816 11.173 1.00 42.50 H new ATOM 0 HD1 HIS A 65 -6.483 -2.459 9.680 1.00 43.20 H new ATOM 0 HD2 HIS A 65 -5.620 -6.505 8.988 1.00 30.04 H new ATOM 0 HE1 HIS A 65 -4.531 -2.516 8.054 1.00 42.14 H new ATOM 1016 N ASN A 66 -9.826 -2.832 9.842 1.00 53.21 N ATOM 1017 CA ASN A 66 -10.177 -1.524 9.240 1.00 45.35 C ATOM 1018 C ASN A 66 -9.178 -0.459 9.723 1.00 54.32 C ATOM 1019 O ASN A 66 -9.025 0.586 9.093 1.00 24.34 O ATOM 1020 CB ASN A 66 -11.633 -1.079 9.594 1.00 5.03 C ATOM 1021 CG ASN A 66 -12.727 -2.065 9.163 1.00 54.14 C ATOM 1022 OD1 ASN A 66 -12.559 -3.284 9.237 1.00 55.33 O ATOM 1023 ND2 ASN A 66 -13.853 -1.548 8.683 1.00 4.01 N ATOM 0 H ASN A 66 -9.967 -2.867 10.852 1.00 53.21 H new ATOM 0 HA ASN A 66 -10.125 -1.632 8.157 1.00 45.35 H new ATOM 0 HB2 ASN A 66 -11.701 -0.930 10.672 1.00 5.03 H new ATOM 0 HB3 ASN A 66 -11.828 -0.114 9.126 1.00 5.03 H new ATOM 0 HD21 ASN A 66 -14.602 -2.163 8.366 1.00 4.01 H new ATOM 0 HD22 ASN A 66 -13.968 -0.536 8.632 1.00 4.01 H new ATOM 1030 N ASN A 67 -8.511 -0.744 10.859 1.00 23.22 N ATOM 1031 CA ASN A 67 -7.561 0.177 11.518 1.00 30.24 C ATOM 1032 C ASN A 67 -6.369 0.509 10.586 1.00 1.40 C ATOM 1033 O ASN A 67 -5.640 -0.397 10.157 1.00 10.01 O ATOM 1034 CB ASN A 67 -7.080 -0.459 12.852 1.00 41.53 C ATOM 1035 CG ASN A 67 -6.140 0.438 13.670 1.00 23.23 C ATOM 1036 OD1 ASN A 67 -4.920 0.351 13.549 1.00 50.11 O ATOM 1037 ND2 ASN A 67 -6.701 1.300 14.508 1.00 44.22 N ATOM 0 H ASN A 67 -8.618 -1.631 11.351 1.00 23.22 H new ATOM 0 HA ASN A 67 -8.064 1.119 11.736 1.00 30.24 H new ATOM 0 HB2 ASN A 67 -7.951 -0.705 13.460 1.00 41.53 H new ATOM 0 HB3 ASN A 67 -6.570 -1.397 12.632 1.00 41.53 H new ATOM 0 HD21 ASN A 67 -6.116 1.915 15.075 1.00 44.22 H new ATOM 0 HD22 ASN A 67 -7.717 1.348 14.586 1.00 44.22 H new ATOM 1044 N MET A 68 -6.210 1.813 10.267 1.00 42.23 N ATOM 1045 CA MET A 68 -5.168 2.310 9.337 1.00 45.42 C ATOM 1046 C MET A 68 -3.776 2.267 9.986 1.00 10.21 C ATOM 1047 O MET A 68 -2.778 2.035 9.300 1.00 62.21 O ATOM 1048 CB MET A 68 -5.492 3.754 8.865 1.00 42.10 C ATOM 1049 CG MET A 68 -4.579 4.279 7.759 1.00 73.44 C ATOM 1050 SD MET A 68 -4.625 3.215 6.305 1.00 42.20 S ATOM 1051 CE MET A 68 -3.594 4.142 5.190 1.00 63.02 C ATOM 0 H MET A 68 -6.801 2.552 10.647 1.00 42.23 H new ATOM 0 HA MET A 68 -5.162 1.651 8.469 1.00 45.42 H new ATOM 0 HB2 MET A 68 -6.523 3.785 8.513 1.00 42.10 H new ATOM 0 HB3 MET A 68 -5.428 4.426 9.721 1.00 42.10 H new ATOM 0 HG2 MET A 68 -4.884 5.288 7.482 1.00 73.44 H new ATOM 0 HG3 MET A 68 -3.556 4.345 8.131 1.00 73.44 H new ATOM 0 HE1 MET A 68 -3.089 3.458 4.508 1.00 63.02 H new ATOM 0 HE2 MET A 68 -4.209 4.837 4.618 1.00 63.02 H new ATOM 0 HE3 MET A 68 -2.851 4.700 5.760 1.00 63.02 H new ATOM 1061 N ALA A 69 -3.729 2.484 11.315 1.00 1.52 N ATOM 1062 CA ALA A 69 -2.480 2.423 12.096 1.00 65.10 C ATOM 1063 C ALA A 69 -1.795 1.051 11.962 1.00 65.02 C ATOM 1064 O ALA A 69 -0.572 0.961 11.958 1.00 72.52 O ATOM 1065 CB ALA A 69 -2.757 2.750 13.568 1.00 32.15 C ATOM 0 H ALA A 69 -4.553 2.706 11.874 1.00 1.52 H new ATOM 0 HA ALA A 69 -1.796 3.170 11.693 1.00 65.10 H new ATOM 0 HB1 ALA A 69 -1.826 2.701 14.133 1.00 32.15 H new ATOM 0 HB2 ALA A 69 -3.176 3.753 13.645 1.00 32.15 H new ATOM 0 HB3 ALA A 69 -3.466 2.028 13.974 1.00 32.15 H new ATOM 1071 N SER A 70 -2.624 -0.001 11.847 1.00 74.02 N ATOM 1072 CA SER A 70 -2.181 -1.386 11.623 1.00 63.14 C ATOM 1073 C SER A 70 -1.488 -1.549 10.250 1.00 14.43 C ATOM 1074 O SER A 70 -0.450 -2.213 10.144 1.00 41.11 O ATOM 1075 CB SER A 70 -3.411 -2.315 11.721 1.00 10.14 C ATOM 1076 OG SER A 70 -3.070 -3.678 11.550 1.00 31.13 O ATOM 0 H SER A 70 -3.638 0.090 11.908 1.00 74.02 H new ATOM 0 HA SER A 70 -1.446 -1.651 12.383 1.00 63.14 H new ATOM 0 HB2 SER A 70 -3.888 -2.181 12.692 1.00 10.14 H new ATOM 0 HB3 SER A 70 -4.141 -2.028 10.965 1.00 10.14 H new ATOM 0 HG SER A 70 -3.878 -4.229 11.621 1.00 31.13 H new ATOM 1082 N PHE A 71 -2.076 -0.916 9.218 1.00 73.54 N ATOM 1083 CA PHE A 71 -1.588 -0.981 7.822 1.00 51.31 C ATOM 1084 C PHE A 71 -0.238 -0.246 7.673 1.00 13.21 C ATOM 1085 O PHE A 71 0.729 -0.803 7.139 1.00 42.35 O ATOM 1086 CB PHE A 71 -2.662 -0.369 6.875 1.00 61.25 C ATOM 1087 CG PHE A 71 -2.281 -0.305 5.390 1.00 35.12 C ATOM 1088 CD1 PHE A 71 -2.237 -1.462 4.615 1.00 50.03 C ATOM 1089 CD2 PHE A 71 -1.984 0.912 4.769 1.00 13.05 C ATOM 1090 CE1 PHE A 71 -1.913 -1.407 3.271 1.00 74.44 C ATOM 1091 CE2 PHE A 71 -1.657 0.966 3.423 1.00 54.12 C ATOM 1092 CZ PHE A 71 -1.619 -0.195 2.676 1.00 12.01 C ATOM 0 H PHE A 71 -2.910 -0.339 9.327 1.00 73.54 H new ATOM 0 HA PHE A 71 -1.422 -2.023 7.550 1.00 51.31 H new ATOM 0 HB2 PHE A 71 -3.579 -0.951 6.971 1.00 61.25 H new ATOM 0 HB3 PHE A 71 -2.888 0.641 7.217 1.00 61.25 H new ATOM 0 HD1 PHE A 71 -2.459 -2.416 5.070 1.00 50.03 H new ATOM 0 HD2 PHE A 71 -2.010 1.824 5.347 1.00 13.05 H new ATOM 0 HE1 PHE A 71 -1.890 -2.314 2.685 1.00 74.44 H new ATOM 0 HE2 PHE A 71 -1.432 1.915 2.959 1.00 54.12 H new ATOM 0 HZ PHE A 71 -1.360 -0.156 1.628 1.00 12.01 H new ATOM 1102 N VAL A 72 -0.201 1.009 8.160 1.00 61.21 N ATOM 1103 CA VAL A 72 1.006 1.859 8.145 1.00 52.31 C ATOM 1104 C VAL A 72 2.148 1.228 8.989 1.00 74.40 C ATOM 1105 O VAL A 72 3.311 1.280 8.584 1.00 15.15 O ATOM 1106 CB VAL A 72 0.661 3.313 8.650 1.00 71.24 C ATOM 1107 CG1 VAL A 72 1.897 4.243 8.658 1.00 24.34 C ATOM 1108 CG2 VAL A 72 -0.491 3.932 7.813 1.00 4.00 C ATOM 0 H VAL A 72 -1.012 1.465 8.578 1.00 61.21 H new ATOM 0 HA VAL A 72 1.361 1.930 7.117 1.00 52.31 H new ATOM 0 HB VAL A 72 0.327 3.218 9.683 1.00 71.24 H new ATOM 0 HG11 VAL A 72 1.606 5.232 9.013 1.00 24.34 H new ATOM 0 HG12 VAL A 72 2.659 3.830 9.319 1.00 24.34 H new ATOM 0 HG13 VAL A 72 2.298 4.324 7.648 1.00 24.34 H new ATOM 0 HG21 VAL A 72 -0.710 4.934 8.181 1.00 4.00 H new ATOM 0 HG22 VAL A 72 -0.191 3.987 6.766 1.00 4.00 H new ATOM 0 HG23 VAL A 72 -1.381 3.310 7.903 1.00 4.00 H new ATOM 1118 N ARG A 73 1.781 0.584 10.131 1.00 62.44 N ATOM 1119 CA ARG A 73 2.729 -0.159 11.008 1.00 11.14 C ATOM 1120 C ARG A 73 3.521 -1.204 10.207 1.00 33.44 C ATOM 1121 O ARG A 73 4.755 -1.235 10.270 1.00 14.51 O ATOM 1122 CB ARG A 73 1.951 -0.879 12.150 1.00 61.52 C ATOM 1123 CG ARG A 73 2.790 -1.843 13.030 1.00 12.44 C ATOM 1124 CD ARG A 73 1.917 -2.733 13.935 1.00 24.31 C ATOM 1125 NE ARG A 73 2.719 -3.736 14.671 1.00 1.13 N ATOM 1126 CZ ARG A 73 2.231 -4.845 15.263 1.00 35.22 C ATOM 1127 NH1 ARG A 73 0.930 -5.123 15.230 1.00 42.33 N ATOM 1128 NH2 ARG A 73 3.058 -5.673 15.891 1.00 42.21 N ATOM 0 H ARG A 73 0.819 0.566 10.469 1.00 62.44 H new ATOM 0 HA ARG A 73 3.426 0.564 11.432 1.00 11.14 H new ATOM 0 HB2 ARG A 73 1.506 -0.122 12.795 1.00 61.52 H new ATOM 0 HB3 ARG A 73 1.130 -1.443 11.707 1.00 61.52 H new ATOM 0 HG2 ARG A 73 3.402 -2.475 12.387 1.00 12.44 H new ATOM 0 HG3 ARG A 73 3.473 -1.262 13.649 1.00 12.44 H new ATOM 0 HD2 ARG A 73 1.378 -2.107 14.647 1.00 24.31 H new ATOM 0 HD3 ARG A 73 1.169 -3.243 13.328 1.00 24.31 H new ATOM 0 HE ARG A 73 3.724 -3.575 14.736 1.00 1.13 H new ATOM 0 HH11 ARG A 73 0.286 -4.493 14.752 1.00 42.33 H new ATOM 0 HH12 ARG A 73 0.577 -5.966 15.683 1.00 42.33 H new ATOM 0 HH21 ARG A 73 4.057 -5.469 15.924 1.00 42.21 H new ATOM 0 HH22 ARG A 73 2.694 -6.513 16.341 1.00 42.21 H new ATOM 1142 N GLN A 74 2.773 -2.019 9.433 1.00 32.41 N ATOM 1143 CA GLN A 74 3.332 -3.106 8.615 1.00 60.43 C ATOM 1144 C GLN A 74 4.386 -2.559 7.638 1.00 54.31 C ATOM 1145 O GLN A 74 5.523 -3.031 7.614 1.00 43.43 O ATOM 1146 CB GLN A 74 2.205 -3.809 7.813 1.00 3.13 C ATOM 1147 CG GLN A 74 1.148 -4.577 8.644 1.00 62.34 C ATOM 1148 CD GLN A 74 1.594 -5.971 9.116 1.00 5.40 C ATOM 1149 OE1 GLN A 74 2.771 -6.231 9.351 1.00 5.10 O ATOM 1150 NE2 GLN A 74 0.644 -6.888 9.249 1.00 61.23 N ATOM 0 H GLN A 74 1.759 -1.937 9.361 1.00 32.41 H new ATOM 0 HA GLN A 74 3.804 -3.826 9.284 1.00 60.43 H new ATOM 0 HB2 GLN A 74 1.690 -3.057 7.216 1.00 3.13 H new ATOM 0 HB3 GLN A 74 2.666 -4.509 7.116 1.00 3.13 H new ATOM 0 HG2 GLN A 74 0.886 -3.979 9.517 1.00 62.34 H new ATOM 0 HG3 GLN A 74 0.242 -4.683 8.047 1.00 62.34 H new ATOM 0 HE21 GLN A 74 -0.327 -6.649 9.048 1.00 61.23 H new ATOM 0 HE22 GLN A 74 0.885 -7.832 9.552 1.00 61.23 H new ATOM 1159 N LEU A 75 3.993 -1.512 6.886 1.00 44.21 N ATOM 1160 CA LEU A 75 4.821 -0.899 5.836 1.00 12.44 C ATOM 1161 C LEU A 75 6.121 -0.300 6.402 1.00 70.00 C ATOM 1162 O LEU A 75 7.193 -0.520 5.840 1.00 20.21 O ATOM 1163 CB LEU A 75 3.988 0.173 5.088 1.00 53.54 C ATOM 1164 CG LEU A 75 2.791 -0.396 4.268 1.00 64.10 C ATOM 1165 CD1 LEU A 75 1.866 0.719 3.770 1.00 3.13 C ATOM 1166 CD2 LEU A 75 3.292 -1.267 3.095 1.00 43.20 C ATOM 0 H LEU A 75 3.082 -1.066 6.994 1.00 44.21 H new ATOM 0 HA LEU A 75 5.121 -1.677 5.134 1.00 12.44 H new ATOM 0 HB2 LEU A 75 3.606 0.890 5.814 1.00 53.54 H new ATOM 0 HB3 LEU A 75 4.646 0.721 4.414 1.00 53.54 H new ATOM 0 HG LEU A 75 2.207 -1.029 4.936 1.00 64.10 H new ATOM 0 HD11 LEU A 75 1.044 0.283 3.203 1.00 3.13 H new ATOM 0 HD12 LEU A 75 1.467 1.269 4.622 1.00 3.13 H new ATOM 0 HD13 LEU A 75 2.428 1.399 3.130 1.00 3.13 H new ATOM 0 HD21 LEU A 75 2.438 -1.653 2.538 1.00 43.20 H new ATOM 0 HD22 LEU A 75 3.914 -0.664 2.434 1.00 43.20 H new ATOM 0 HD23 LEU A 75 3.877 -2.100 3.484 1.00 43.20 H new ATOM 1178 N ASN A 76 6.011 0.418 7.534 1.00 55.15 N ATOM 1179 CA ASN A 76 7.177 1.000 8.247 1.00 72.41 C ATOM 1180 C ASN A 76 8.181 -0.093 8.673 1.00 42.42 C ATOM 1181 O ASN A 76 9.401 0.103 8.581 1.00 23.22 O ATOM 1182 CB ASN A 76 6.723 1.818 9.489 1.00 22.42 C ATOM 1183 CG ASN A 76 5.848 3.025 9.144 1.00 2.41 C ATOM 1184 OD1 ASN A 76 5.968 3.618 8.066 1.00 21.30 O ATOM 1185 ND2 ASN A 76 4.967 3.403 10.060 1.00 60.30 N ATOM 0 H ASN A 76 5.117 0.614 7.984 1.00 55.15 H new ATOM 0 HA ASN A 76 7.677 1.672 7.550 1.00 72.41 H new ATOM 0 HB2 ASN A 76 6.172 1.162 10.164 1.00 22.42 H new ATOM 0 HB3 ASN A 76 7.605 2.162 10.029 1.00 22.42 H new ATOM 0 HD21 ASN A 76 4.362 4.206 9.885 1.00 60.30 H new ATOM 0 HD22 ASN A 76 4.894 2.891 10.939 1.00 60.30 H new ATOM 1192 N MET A 77 7.649 -1.254 9.110 1.00 65.23 N ATOM 1193 CA MET A 77 8.473 -2.433 9.461 1.00 12.45 C ATOM 1194 C MET A 77 9.106 -3.051 8.197 1.00 53.50 C ATOM 1195 O MET A 77 10.234 -3.531 8.237 1.00 73.51 O ATOM 1196 CB MET A 77 7.642 -3.502 10.218 1.00 44.24 C ATOM 1197 CG MET A 77 7.087 -3.049 11.576 1.00 22.11 C ATOM 1198 SD MET A 77 6.338 -4.403 12.516 1.00 42.02 S ATOM 1199 CE MET A 77 5.180 -5.098 11.330 1.00 52.31 C ATOM 0 H MET A 77 6.647 -1.401 9.229 1.00 65.23 H new ATOM 0 HA MET A 77 9.268 -2.091 10.124 1.00 12.45 H new ATOM 0 HB2 MET A 77 6.809 -3.808 9.585 1.00 44.24 H new ATOM 0 HB3 MET A 77 8.265 -4.383 10.372 1.00 44.24 H new ATOM 0 HG2 MET A 77 7.892 -2.607 12.163 1.00 22.11 H new ATOM 0 HG3 MET A 77 6.343 -2.268 11.417 1.00 22.11 H new ATOM 0 HE1 MET A 77 4.707 -5.981 11.759 1.00 52.31 H new ATOM 0 HE2 MET A 77 4.417 -4.358 11.090 1.00 52.31 H new ATOM 0 HE3 MET A 77 5.713 -5.377 10.421 1.00 52.31 H new ATOM 1209 N TYR A 78 8.387 -2.979 7.064 1.00 72.31 N ATOM 1210 CA TYR A 78 8.875 -3.497 5.767 1.00 2.10 C ATOM 1211 C TYR A 78 9.814 -2.477 5.070 1.00 35.33 C ATOM 1212 O TYR A 78 10.201 -2.677 3.913 1.00 45.24 O ATOM 1213 CB TYR A 78 7.675 -3.880 4.853 1.00 62.14 C ATOM 1214 CG TYR A 78 6.980 -5.206 5.216 1.00 21.53 C ATOM 1215 CD1 TYR A 78 7.687 -6.411 5.196 1.00 51.03 C ATOM 1216 CD2 TYR A 78 5.624 -5.259 5.553 1.00 1.21 C ATOM 1217 CE1 TYR A 78 7.069 -7.612 5.503 1.00 34.24 C ATOM 1218 CE2 TYR A 78 5.005 -6.456 5.864 1.00 21.04 C ATOM 1219 CZ TYR A 78 5.729 -7.628 5.837 1.00 1.43 C ATOM 1220 OH TYR A 78 5.111 -8.823 6.145 1.00 52.51 O ATOM 0 H TYR A 78 7.457 -2.564 7.017 1.00 72.31 H new ATOM 0 HA TYR A 78 9.461 -4.397 5.956 1.00 2.10 H new ATOM 0 HB2 TYR A 78 6.938 -3.078 4.891 1.00 62.14 H new ATOM 0 HB3 TYR A 78 8.027 -3.941 3.823 1.00 62.14 H new ATOM 0 HD1 TYR A 78 8.735 -6.406 4.936 1.00 51.03 H new ATOM 0 HD2 TYR A 78 5.048 -4.346 5.571 1.00 1.21 H new ATOM 0 HE1 TYR A 78 7.633 -8.533 5.481 1.00 34.24 H new ATOM 0 HE2 TYR A 78 3.958 -6.472 6.127 1.00 21.04 H new ATOM 0 HH TYR A 78 4.169 -8.659 6.358 1.00 52.51 H new ATOM 1230 N GLY A 79 10.161 -1.383 5.780 1.00 53.51 N ATOM 1231 CA GLY A 79 11.159 -0.416 5.311 1.00 71.22 C ATOM 1232 C GLY A 79 10.611 0.574 4.288 1.00 40.15 C ATOM 1233 O GLY A 79 11.385 1.174 3.534 1.00 72.23 O ATOM 0 H GLY A 79 9.757 -1.152 6.688 1.00 53.51 H new ATOM 0 HA2 GLY A 79 11.549 0.136 6.166 1.00 71.22 H new ATOM 0 HA3 GLY A 79 11.997 -0.955 4.870 1.00 71.22 H new ATOM 1237 N PHE A 80 9.276 0.739 4.254 1.00 43.20 N ATOM 1238 CA PHE A 80 8.609 1.731 3.389 1.00 72.45 C ATOM 1239 C PHE A 80 8.639 3.100 4.084 1.00 13.22 C ATOM 1240 O PHE A 80 8.389 3.187 5.291 1.00 52.22 O ATOM 1241 CB PHE A 80 7.136 1.337 3.072 1.00 52.23 C ATOM 1242 CG PHE A 80 6.955 0.167 2.094 1.00 3.25 C ATOM 1243 CD1 PHE A 80 7.186 -1.147 2.491 1.00 61.52 C ATOM 1244 CD2 PHE A 80 6.535 0.387 0.776 1.00 63.31 C ATOM 1245 CE1 PHE A 80 7.003 -2.201 1.608 1.00 23.11 C ATOM 1246 CE2 PHE A 80 6.356 -0.668 -0.102 1.00 71.14 C ATOM 1247 CZ PHE A 80 6.591 -1.961 0.315 1.00 53.31 C ATOM 0 H PHE A 80 8.631 0.191 4.823 1.00 43.20 H new ATOM 0 HA PHE A 80 9.147 1.769 2.442 1.00 72.45 H new ATOM 0 HB2 PHE A 80 6.637 1.085 4.008 1.00 52.23 H new ATOM 0 HB3 PHE A 80 6.626 2.210 2.664 1.00 52.23 H new ATOM 0 HD1 PHE A 80 7.512 -1.349 3.501 1.00 61.52 H new ATOM 0 HD2 PHE A 80 6.348 1.396 0.439 1.00 63.31 H new ATOM 0 HE1 PHE A 80 7.184 -3.214 1.935 1.00 23.11 H new ATOM 0 HE2 PHE A 80 6.032 -0.478 -1.115 1.00 71.14 H new ATOM 0 HZ PHE A 80 6.452 -2.784 -0.370 1.00 53.31 H new ATOM 1257 N ARG A 81 8.922 4.164 3.318 1.00 75.04 N ATOM 1258 CA ARG A 81 8.999 5.528 3.859 1.00 52.11 C ATOM 1259 C ARG A 81 7.704 6.273 3.521 1.00 62.10 C ATOM 1260 O ARG A 81 7.302 6.321 2.353 1.00 54.13 O ATOM 1261 CB ARG A 81 10.223 6.291 3.279 1.00 31.24 C ATOM 1262 CG ARG A 81 10.474 7.690 3.900 1.00 71.22 C ATOM 1263 CD ARG A 81 11.675 8.413 3.262 1.00 1.45 C ATOM 1264 NE ARG A 81 12.890 7.575 3.267 1.00 12.22 N ATOM 1265 CZ ARG A 81 14.019 7.830 2.578 1.00 51.33 C ATOM 1266 NH1 ARG A 81 14.125 8.913 1.808 1.00 24.44 N ATOM 1267 NH2 ARG A 81 15.027 6.971 2.629 1.00 35.02 N ATOM 0 H ARG A 81 9.102 4.104 2.316 1.00 75.04 H new ATOM 0 HA ARG A 81 9.123 5.473 4.941 1.00 52.11 H new ATOM 0 HB2 ARG A 81 11.115 5.681 3.422 1.00 31.24 H new ATOM 0 HB3 ARG A 81 10.085 6.406 2.204 1.00 31.24 H new ATOM 0 HG2 ARG A 81 9.580 8.302 3.780 1.00 71.22 H new ATOM 0 HG3 ARG A 81 10.646 7.583 4.971 1.00 71.22 H new ATOM 0 HD2 ARG A 81 11.429 8.689 2.237 1.00 1.45 H new ATOM 0 HD3 ARG A 81 11.871 9.339 3.803 1.00 1.45 H new ATOM 0 HE ARG A 81 12.873 6.732 3.841 1.00 12.22 H new ATOM 0 HH11 ARG A 81 13.344 9.564 1.734 1.00 24.44 H new ATOM 0 HH12 ARG A 81 14.988 9.090 1.293 1.00 24.44 H new ATOM 0 HH21 ARG A 81 14.946 6.122 3.188 1.00 35.02 H new ATOM 0 HH22 ARG A 81 15.884 7.159 2.109 1.00 35.02 H new ATOM 1281 N LYS A 82 7.049 6.813 4.560 1.00 4.42 N ATOM 1282 CA LYS A 82 5.865 7.676 4.434 1.00 65.33 C ATOM 1283 C LYS A 82 6.312 9.006 3.799 1.00 62.40 C ATOM 1284 O LYS A 82 7.120 9.730 4.393 1.00 34.51 O ATOM 1285 CB LYS A 82 5.248 7.879 5.864 1.00 74.12 C ATOM 1286 CG LYS A 82 3.890 8.627 5.944 1.00 72.13 C ATOM 1287 CD LYS A 82 3.983 10.166 5.778 1.00 23.20 C ATOM 1288 CE LYS A 82 2.606 10.844 5.743 1.00 2.20 C ATOM 1289 NZ LYS A 82 1.870 10.707 7.026 1.00 42.25 N ATOM 0 H LYS A 82 7.332 6.659 5.528 1.00 4.42 H new ATOM 0 HA LYS A 82 5.099 7.233 3.797 1.00 65.33 H new ATOM 0 HB2 LYS A 82 5.122 6.898 6.321 1.00 74.12 H new ATOM 0 HB3 LYS A 82 5.971 8.423 6.471 1.00 74.12 H new ATOM 0 HG2 LYS A 82 3.228 8.232 5.173 1.00 72.13 H new ATOM 0 HG3 LYS A 82 3.426 8.407 6.906 1.00 72.13 H new ATOM 0 HD2 LYS A 82 4.567 10.581 6.600 1.00 23.20 H new ATOM 0 HD3 LYS A 82 4.520 10.396 4.858 1.00 23.20 H new ATOM 0 HE2 LYS A 82 2.732 11.902 5.511 1.00 2.20 H new ATOM 0 HE3 LYS A 82 2.012 10.410 4.939 1.00 2.20 H new ATOM 0 HZ1 LYS A 82 0.948 11.181 6.950 1.00 42.25 H new ATOM 0 HZ2 LYS A 82 1.724 9.699 7.237 1.00 42.25 H new ATOM 0 HZ3 LYS A 82 2.422 11.144 7.791 1.00 42.25 H new ATOM 1303 N VAL A 83 5.814 9.305 2.587 1.00 5.51 N ATOM 1304 CA VAL A 83 6.131 10.543 1.854 1.00 60.33 C ATOM 1305 C VAL A 83 4.810 11.164 1.364 1.00 11.25 C ATOM 1306 O VAL A 83 4.133 10.598 0.505 1.00 15.04 O ATOM 1307 CB VAL A 83 7.083 10.283 0.617 1.00 21.13 C ATOM 1308 CG1 VAL A 83 7.428 11.603 -0.108 1.00 73.42 C ATOM 1309 CG2 VAL A 83 8.369 9.517 1.027 1.00 22.14 C ATOM 0 H VAL A 83 5.175 8.689 2.084 1.00 5.51 H new ATOM 0 HA VAL A 83 6.659 11.217 2.529 1.00 60.33 H new ATOM 0 HB VAL A 83 6.538 9.647 -0.081 1.00 21.13 H new ATOM 0 HG11 VAL A 83 8.083 11.393 -0.953 1.00 73.42 H new ATOM 0 HG12 VAL A 83 6.511 12.071 -0.467 1.00 73.42 H new ATOM 0 HG13 VAL A 83 7.933 12.277 0.584 1.00 73.42 H new ATOM 0 HG21 VAL A 83 8.994 9.359 0.148 1.00 22.14 H new ATOM 0 HG22 VAL A 83 8.920 10.100 1.765 1.00 22.14 H new ATOM 0 HG23 VAL A 83 8.097 8.553 1.456 1.00 22.14 H new ATOM 1319 N VAL A 84 4.461 12.340 1.898 1.00 43.21 N ATOM 1320 CA VAL A 84 3.194 13.019 1.589 1.00 13.22 C ATOM 1321 C VAL A 84 3.454 14.054 0.475 1.00 63.34 C ATOM 1322 O VAL A 84 4.384 14.861 0.580 1.00 5.54 O ATOM 1323 CB VAL A 84 2.588 13.687 2.886 1.00 43.42 C ATOM 1324 CG1 VAL A 84 3.576 14.662 3.575 1.00 41.04 C ATOM 1325 CG2 VAL A 84 1.231 14.361 2.587 1.00 23.32 C ATOM 0 H VAL A 84 5.049 12.850 2.558 1.00 43.21 H new ATOM 0 HA VAL A 84 2.456 12.298 1.236 1.00 13.22 H new ATOM 0 HB VAL A 84 2.410 12.882 3.599 1.00 43.42 H new ATOM 0 HG11 VAL A 84 3.106 15.091 4.460 1.00 41.04 H new ATOM 0 HG12 VAL A 84 4.476 14.121 3.868 1.00 41.04 H new ATOM 0 HG13 VAL A 84 3.842 15.460 2.882 1.00 41.04 H new ATOM 0 HG21 VAL A 84 0.840 14.811 3.499 1.00 23.32 H new ATOM 0 HG22 VAL A 84 1.367 15.134 1.830 1.00 23.32 H new ATOM 0 HG23 VAL A 84 0.527 13.614 2.220 1.00 23.32 H new ATOM 1335 N HIS A 85 2.676 13.987 -0.623 1.00 51.44 N ATOM 1336 CA HIS A 85 2.883 14.869 -1.800 1.00 21.45 C ATOM 1337 C HIS A 85 1.814 15.963 -1.853 1.00 12.00 C ATOM 1338 O HIS A 85 2.129 17.123 -2.149 1.00 64.21 O ATOM 1339 CB HIS A 85 2.925 14.054 -3.117 1.00 31.03 C ATOM 1340 CG HIS A 85 4.136 13.165 -3.235 1.00 20.22 C ATOM 1341 ND1 HIS A 85 5.237 13.494 -4.001 1.00 63.23 N ATOM 1342 CD2 HIS A 85 4.426 11.967 -2.669 1.00 52.22 C ATOM 1343 CE1 HIS A 85 6.143 12.543 -3.902 1.00 32.40 C ATOM 1344 NE2 HIS A 85 5.675 11.607 -3.104 1.00 54.02 N ATOM 0 H HIS A 85 1.899 13.334 -0.724 1.00 51.44 H new ATOM 0 HA HIS A 85 3.853 15.354 -1.690 1.00 21.45 H new ATOM 0 HB2 HIS A 85 2.026 13.441 -3.185 1.00 31.03 H new ATOM 0 HB3 HIS A 85 2.906 14.742 -3.962 1.00 31.03 H new ATOM 0 HD2 HIS A 85 3.792 11.403 -2.001 1.00 52.22 H new ATOM 0 HE1 HIS A 85 7.105 12.533 -4.392 1.00 32.40 H new ATOM 0 HE2 HIS A 85 6.164 10.749 -2.849 1.00 54.02 H new ATOM 1353 N ILE A 86 0.546 15.599 -1.584 1.00 12.32 N ATOM 1354 CA ILE A 86 -0.521 16.593 -1.383 1.00 63.02 C ATOM 1355 C ILE A 86 -0.329 17.232 0.002 1.00 62.52 C ATOM 1356 O ILE A 86 -0.476 16.559 1.024 1.00 52.23 O ATOM 1357 CB ILE A 86 -1.973 15.970 -1.553 1.00 72.23 C ATOM 1358 CG1 ILE A 86 -2.212 15.531 -3.037 1.00 13.53 C ATOM 1359 CG2 ILE A 86 -3.100 16.934 -1.089 1.00 31.23 C ATOM 1360 CD1 ILE A 86 -2.147 16.664 -4.050 1.00 13.43 C ATOM 0 H ILE A 86 0.238 14.630 -1.502 1.00 12.32 H new ATOM 0 HA ILE A 86 -0.446 17.359 -2.155 1.00 63.02 H new ATOM 0 HB ILE A 86 -2.016 15.095 -0.905 1.00 72.23 H new ATOM 0 HG12 ILE A 86 -1.469 14.779 -3.304 1.00 13.53 H new ATOM 0 HG13 ILE A 86 -3.189 15.053 -3.108 1.00 13.53 H new ATOM 0 HG21 ILE A 86 -4.069 16.455 -1.229 1.00 31.23 H new ATOM 0 HG22 ILE A 86 -2.962 17.174 -0.035 1.00 31.23 H new ATOM 0 HG23 ILE A 86 -3.060 17.850 -1.678 1.00 31.23 H new ATOM 0 HD11 ILE A 86 -2.324 16.268 -5.050 1.00 13.43 H new ATOM 0 HD12 ILE A 86 -2.908 17.407 -3.814 1.00 13.43 H new ATOM 0 HD13 ILE A 86 -1.162 17.129 -4.013 1.00 13.43 H new ATOM 1372 N GLU A 87 0.074 18.514 -0.003 1.00 25.31 N ATOM 1373 CA GLU A 87 0.300 19.328 1.204 1.00 73.34 C ATOM 1374 C GLU A 87 -0.968 19.356 2.097 1.00 3.40 C ATOM 1375 O GLU A 87 -2.082 19.544 1.601 1.00 64.34 O ATOM 1376 CB GLU A 87 0.754 20.750 0.750 1.00 70.34 C ATOM 1377 CG GLU A 87 1.049 21.796 1.861 1.00 13.22 C ATOM 1378 CD GLU A 87 -0.164 22.592 2.404 1.00 64.41 C ATOM 1379 OE1 GLU A 87 -1.295 22.491 1.866 1.00 21.44 O ATOM 1380 OE2 GLU A 87 0.022 23.339 3.377 1.00 21.11 O ATOM 0 H GLU A 87 0.256 19.025 -0.867 1.00 25.31 H new ATOM 0 HA GLU A 87 1.086 18.892 1.822 1.00 73.34 H new ATOM 0 HB2 GLU A 87 1.654 20.639 0.145 1.00 70.34 H new ATOM 0 HB3 GLU A 87 -0.019 21.159 0.100 1.00 70.34 H new ATOM 0 HG2 GLU A 87 1.520 21.280 2.698 1.00 13.22 H new ATOM 0 HG3 GLU A 87 1.778 22.508 1.474 1.00 13.22 H new ATOM 1387 N GLN A 88 -0.769 19.147 3.409 1.00 13.13 N ATOM 1388 CA GLN A 88 -1.861 18.952 4.399 1.00 62.14 C ATOM 1389 C GLN A 88 -1.891 20.070 5.465 1.00 44.35 C ATOM 1390 O GLN A 88 -2.693 19.993 6.405 1.00 54.24 O ATOM 1391 CB GLN A 88 -1.692 17.567 5.097 1.00 33.34 C ATOM 1392 CG GLN A 88 -1.748 16.350 4.156 1.00 24.52 C ATOM 1393 CD GLN A 88 -3.079 16.234 3.418 1.00 25.04 C ATOM 1394 OE1 GLN A 88 -4.023 15.653 3.927 1.00 14.22 O ATOM 1395 NE2 GLN A 88 -3.164 16.765 2.211 1.00 50.21 N ATOM 0 H GLN A 88 0.162 19.107 3.824 1.00 13.13 H new ATOM 0 HA GLN A 88 -2.806 18.990 3.858 1.00 62.14 H new ATOM 0 HB2 GLN A 88 -0.737 17.557 5.623 1.00 33.34 H new ATOM 0 HB3 GLN A 88 -2.472 17.460 5.851 1.00 33.34 H new ATOM 0 HG2 GLN A 88 -0.939 16.421 3.429 1.00 24.52 H new ATOM 0 HG3 GLN A 88 -1.578 15.442 4.734 1.00 24.52 H new ATOM 0 HE21 GLN A 88 -2.360 17.246 1.808 1.00 50.21 H new ATOM 0 HE22 GLN A 88 -4.034 16.694 1.683 1.00 50.21 H new ATOM 1404 N GLY A 89 -1.049 21.108 5.300 1.00 11.24 N ATOM 1405 CA GLY A 89 -0.949 22.199 6.279 1.00 43.04 C ATOM 1406 C GLY A 89 -2.180 23.094 6.293 1.00 23.03 C ATOM 1407 O GLY A 89 -2.850 23.224 7.330 1.00 1.43 O ATOM 0 H GLY A 89 -0.429 21.211 4.496 1.00 11.24 H new ATOM 0 HA2 GLY A 89 -0.801 21.777 7.273 1.00 43.04 H new ATOM 0 HA3 GLY A 89 -0.069 22.802 6.055 1.00 43.04 H new ATOM 1411 N GLY A 90 -2.492 23.696 5.129 1.00 53.14 N ATOM 1412 CA GLY A 90 -3.669 24.546 5.002 1.00 30.33 C ATOM 1413 C GLY A 90 -3.635 25.446 3.777 1.00 61.23 C ATOM 1414 O GLY A 90 -3.379 26.655 3.894 1.00 41.40 O ATOM 0 H GLY A 90 -1.943 23.604 4.274 1.00 53.14 H new ATOM 0 HA2 GLY A 90 -4.559 23.918 4.957 1.00 30.33 H new ATOM 0 HA3 GLY A 90 -3.760 25.164 5.895 1.00 30.33 H new ATOM 1418 N LEU A 91 -3.867 24.856 2.590 1.00 70.40 N ATOM 1419 CA LEU A 91 -4.099 25.615 1.340 1.00 22.22 C ATOM 1420 C LEU A 91 -5.559 25.424 0.868 1.00 32.33 C ATOM 1421 O LEU A 91 -6.313 24.638 1.457 1.00 63.43 O ATOM 1422 CB LEU A 91 -3.075 25.186 0.241 1.00 65.54 C ATOM 1423 CG LEU A 91 -1.578 25.555 0.529 1.00 22.41 C ATOM 1424 CD1 LEU A 91 -0.640 25.116 -0.619 1.00 22.10 C ATOM 1425 CD2 LEU A 91 -1.412 27.060 0.838 1.00 65.01 C ATOM 0 H LEU A 91 -3.900 23.844 2.467 1.00 70.40 H new ATOM 0 HA LEU A 91 -3.945 26.677 1.532 1.00 22.22 H new ATOM 0 HB2 LEU A 91 -3.145 24.107 0.106 1.00 65.54 H new ATOM 0 HB3 LEU A 91 -3.369 25.645 -0.703 1.00 65.54 H new ATOM 0 HG LEU A 91 -1.284 24.998 1.419 1.00 22.41 H new ATOM 0 HD11 LEU A 91 0.386 25.392 -0.376 1.00 22.10 H new ATOM 0 HD12 LEU A 91 -0.704 24.036 -0.748 1.00 22.10 H new ATOM 0 HD13 LEU A 91 -0.940 25.611 -1.543 1.00 22.10 H new ATOM 0 HD21 LEU A 91 -0.362 27.278 1.032 1.00 65.01 H new ATOM 0 HD22 LEU A 91 -1.752 27.646 -0.015 1.00 65.01 H new ATOM 0 HD23 LEU A 91 -2.005 27.319 1.715 1.00 65.01 H new ATOM 1437 N VAL A 92 -5.929 26.162 -0.200 1.00 52.35 N ATOM 1438 CA VAL A 92 -7.310 26.224 -0.744 1.00 72.01 C ATOM 1439 C VAL A 92 -7.849 24.834 -1.187 1.00 61.43 C ATOM 1440 O VAL A 92 -9.047 24.551 -1.051 1.00 74.30 O ATOM 1441 CB VAL A 92 -7.370 27.254 -1.943 1.00 34.44 C ATOM 1442 CG1 VAL A 92 -6.438 26.838 -3.108 1.00 71.03 C ATOM 1443 CG2 VAL A 92 -8.823 27.487 -2.426 1.00 23.43 C ATOM 0 H VAL A 92 -5.270 26.742 -0.719 1.00 52.35 H new ATOM 0 HA VAL A 92 -7.960 26.563 0.063 1.00 72.01 H new ATOM 0 HB VAL A 92 -7.000 28.207 -1.564 1.00 34.44 H new ATOM 0 HG11 VAL A 92 -6.509 27.572 -3.911 1.00 71.03 H new ATOM 0 HG12 VAL A 92 -5.409 26.789 -2.751 1.00 71.03 H new ATOM 0 HG13 VAL A 92 -6.739 25.860 -3.483 1.00 71.03 H new ATOM 0 HG21 VAL A 92 -8.822 28.200 -3.250 1.00 23.43 H new ATOM 0 HG22 VAL A 92 -9.250 26.543 -2.764 1.00 23.43 H new ATOM 0 HG23 VAL A 92 -9.421 27.882 -1.604 1.00 23.43 H new ATOM 1453 N LYS A 93 -6.936 23.977 -1.696 1.00 25.33 N ATOM 1454 CA LYS A 93 -7.260 22.608 -2.154 1.00 41.01 C ATOM 1455 C LYS A 93 -7.769 21.732 -0.982 1.00 2.13 C ATOM 1456 O LYS A 93 -7.394 21.979 0.174 1.00 43.34 O ATOM 1457 CB LYS A 93 -6.006 21.943 -2.793 1.00 65.21 C ATOM 1458 CG LYS A 93 -4.843 21.698 -1.808 1.00 53.52 C ATOM 1459 CD LYS A 93 -3.679 20.892 -2.428 1.00 20.35 C ATOM 1460 CE LYS A 93 -2.547 20.659 -1.418 1.00 51.40 C ATOM 1461 NZ LYS A 93 -2.013 21.934 -0.867 1.00 43.21 N ATOM 0 H LYS A 93 -5.950 24.217 -1.801 1.00 25.33 H new ATOM 0 HA LYS A 93 -8.051 22.685 -2.899 1.00 41.01 H new ATOM 0 HB2 LYS A 93 -6.300 20.990 -3.234 1.00 65.21 H new ATOM 0 HB3 LYS A 93 -5.650 22.574 -3.607 1.00 65.21 H new ATOM 0 HG2 LYS A 93 -4.465 22.658 -1.457 1.00 53.52 H new ATOM 0 HG3 LYS A 93 -5.221 21.165 -0.935 1.00 53.52 H new ATOM 0 HD2 LYS A 93 -4.051 19.932 -2.785 1.00 20.35 H new ATOM 0 HD3 LYS A 93 -3.289 21.425 -3.295 1.00 20.35 H new ATOM 0 HE2 LYS A 93 -2.914 20.038 -0.601 1.00 51.40 H new ATOM 0 HE3 LYS A 93 -1.740 20.108 -1.900 1.00 51.40 H new ATOM 0 HZ1 LYS A 93 -1.019 22.046 -1.151 1.00 43.21 H new ATOM 0 HZ2 LYS A 93 -2.570 22.731 -1.235 1.00 43.21 H new ATOM 0 HZ3 LYS A 93 -2.076 21.917 0.171 1.00 43.21 H new ATOM 1475 N PRO A 94 -8.623 20.692 -1.250 1.00 54.33 N ATOM 1476 CA PRO A 94 -9.013 19.711 -0.215 1.00 53.42 C ATOM 1477 C PRO A 94 -7.784 18.906 0.251 1.00 34.11 C ATOM 1478 O PRO A 94 -6.924 18.520 -0.560 1.00 62.44 O ATOM 1479 CB PRO A 94 -10.048 18.811 -0.934 1.00 70.52 C ATOM 1480 CG PRO A 94 -9.683 18.929 -2.374 1.00 10.11 C ATOM 1481 CD PRO A 94 -9.275 20.374 -2.553 1.00 73.10 C ATOM 0 HA PRO A 94 -9.423 20.170 0.685 1.00 53.42 H new ATOM 0 HB2 PRO A 94 -9.988 17.779 -0.590 1.00 70.52 H new ATOM 0 HB3 PRO A 94 -11.068 19.149 -0.751 1.00 70.52 H new ATOM 0 HG2 PRO A 94 -8.868 18.253 -2.632 1.00 10.11 H new ATOM 0 HG3 PRO A 94 -10.525 18.673 -3.018 1.00 10.11 H new ATOM 0 HD2 PRO A 94 -8.589 20.501 -3.391 1.00 73.10 H new ATOM 0 HD3 PRO A 94 -10.134 21.017 -2.744 1.00 73.10 H new ATOM 1489 N GLU A 95 -7.717 18.651 1.555 1.00 20.23 N ATOM 1490 CA GLU A 95 -6.585 17.954 2.184 1.00 10.31 C ATOM 1491 C GLU A 95 -6.796 16.426 2.132 1.00 21.42 C ATOM 1492 O GLU A 95 -6.692 15.727 3.150 1.00 43.31 O ATOM 1493 CB GLU A 95 -6.364 18.471 3.639 1.00 30.33 C ATOM 1494 CG GLU A 95 -7.600 18.363 4.564 1.00 23.12 C ATOM 1495 CD GLU A 95 -7.279 18.659 6.035 1.00 51.44 C ATOM 1496 OE1 GLU A 95 -6.915 17.716 6.776 1.00 45.24 O ATOM 1497 OE2 GLU A 95 -7.371 19.833 6.459 1.00 33.00 O ATOM 0 H GLU A 95 -8.448 18.921 2.214 1.00 20.23 H new ATOM 0 HA GLU A 95 -5.676 18.173 1.624 1.00 10.31 H new ATOM 0 HB2 GLU A 95 -5.543 17.911 4.087 1.00 30.33 H new ATOM 0 HB3 GLU A 95 -6.052 19.514 3.595 1.00 30.33 H new ATOM 0 HG2 GLU A 95 -8.366 19.057 4.219 1.00 23.12 H new ATOM 0 HG3 GLU A 95 -8.019 17.360 4.485 1.00 23.12 H new ATOM 1504 N ARG A 96 -7.092 15.912 0.915 1.00 20.14 N ATOM 1505 CA ARG A 96 -7.224 14.474 0.672 1.00 33.04 C ATOM 1506 C ARG A 96 -5.815 13.844 0.713 1.00 63.33 C ATOM 1507 O ARG A 96 -5.075 13.806 -0.277 1.00 4.42 O ATOM 1508 CB ARG A 96 -8.018 14.173 -0.641 1.00 43.33 C ATOM 1509 CG ARG A 96 -7.426 14.730 -1.948 1.00 41.01 C ATOM 1510 CD ARG A 96 -8.255 14.331 -3.181 1.00 55.31 C ATOM 1511 NE ARG A 96 -8.526 12.877 -3.243 1.00 33.15 N ATOM 1512 CZ ARG A 96 -8.545 12.124 -4.358 1.00 3.43 C ATOM 1513 NH1 ARG A 96 -8.316 12.658 -5.559 1.00 11.34 N ATOM 1514 NH2 ARG A 96 -8.804 10.831 -4.251 1.00 55.31 N ATOM 0 H ARG A 96 -7.243 16.486 0.086 1.00 20.14 H new ATOM 0 HA ARG A 96 -7.824 14.012 1.456 1.00 33.04 H new ATOM 0 HB2 ARG A 96 -8.111 13.092 -0.743 1.00 43.33 H new ATOM 0 HB3 ARG A 96 -9.027 14.570 -0.528 1.00 43.33 H new ATOM 0 HG2 ARG A 96 -7.372 15.817 -1.886 1.00 41.01 H new ATOM 0 HG3 ARG A 96 -6.405 14.366 -2.066 1.00 41.01 H new ATOM 0 HD2 ARG A 96 -9.201 14.872 -3.168 1.00 55.31 H new ATOM 0 HD3 ARG A 96 -7.726 14.636 -4.084 1.00 55.31 H new ATOM 0 HE ARG A 96 -8.716 12.403 -2.360 1.00 33.15 H new ATOM 0 HH11 ARG A 96 -8.122 13.656 -5.645 1.00 11.34 H new ATOM 0 HH12 ARG A 96 -8.335 12.069 -6.391 1.00 11.34 H new ATOM 0 HH21 ARG A 96 -8.985 10.421 -3.335 1.00 55.31 H new ATOM 0 HH22 ARG A 96 -8.823 10.244 -5.085 1.00 55.31 H new ATOM 1528 N ASP A 97 -5.449 13.519 1.961 1.00 13.04 N ATOM 1529 CA ASP A 97 -4.194 12.876 2.378 1.00 13.34 C ATOM 1530 C ASP A 97 -3.660 11.845 1.373 1.00 2.15 C ATOM 1531 O ASP A 97 -4.145 10.712 1.287 1.00 43.24 O ATOM 1532 CB ASP A 97 -4.360 12.256 3.812 1.00 10.21 C ATOM 1533 CG ASP A 97 -5.627 11.404 4.049 1.00 43.00 C ATOM 1534 OD1 ASP A 97 -6.456 11.253 3.151 1.00 0.34 O ATOM 1535 OD2 ASP A 97 -5.810 10.898 5.171 1.00 15.11 O ATOM 0 H ASP A 97 -6.059 13.710 2.756 1.00 13.04 H new ATOM 0 HA ASP A 97 -3.434 13.657 2.409 1.00 13.34 H new ATOM 0 HB2 ASP A 97 -3.488 11.636 4.019 1.00 10.21 H new ATOM 0 HB3 ASP A 97 -4.354 13.069 4.538 1.00 10.21 H new ATOM 1540 N ASP A 98 -2.658 12.291 0.600 1.00 42.44 N ATOM 1541 CA ASP A 98 -1.934 11.473 -0.360 1.00 71.52 C ATOM 1542 C ASP A 98 -0.635 11.042 0.301 1.00 43.54 C ATOM 1543 O ASP A 98 0.214 11.885 0.621 1.00 65.15 O ATOM 1544 CB ASP A 98 -1.631 12.266 -1.648 1.00 33.42 C ATOM 1545 CG ASP A 98 -0.694 11.516 -2.610 1.00 40.13 C ATOM 1546 OD1 ASP A 98 -1.162 10.618 -3.332 1.00 1.12 O ATOM 1547 OD2 ASP A 98 0.527 11.813 -2.637 1.00 61.31 O ATOM 0 H ASP A 98 -2.328 13.255 0.633 1.00 42.44 H new ATOM 0 HA ASP A 98 -2.536 10.610 -0.643 1.00 71.52 H new ATOM 0 HB2 ASP A 98 -2.567 12.487 -2.160 1.00 33.42 H new ATOM 0 HB3 ASP A 98 -1.180 13.222 -1.382 1.00 33.42 H new ATOM 1552 N THR A 99 -0.488 9.742 0.507 1.00 45.42 N ATOM 1553 CA THR A 99 0.681 9.172 1.147 1.00 43.30 C ATOM 1554 C THR A 99 1.276 8.098 0.243 1.00 24.13 C ATOM 1555 O THR A 99 0.630 7.101 -0.073 1.00 23.22 O ATOM 1556 CB THR A 99 0.320 8.580 2.531 1.00 32.23 C ATOM 1557 OG1 THR A 99 -0.258 9.613 3.345 1.00 11.34 O ATOM 1558 CG2 THR A 99 1.553 8.009 3.236 1.00 52.12 C ATOM 0 H THR A 99 -1.184 9.050 0.231 1.00 45.42 H new ATOM 0 HA THR A 99 1.418 9.959 1.306 1.00 43.30 H new ATOM 0 HB THR A 99 -0.390 7.767 2.382 1.00 32.23 H new ATOM 0 HG1 THR A 99 -0.476 9.250 4.228 1.00 11.34 H new ATOM 0 HG21 THR A 99 1.262 7.602 4.205 1.00 52.12 H new ATOM 0 HG22 THR A 99 1.987 7.218 2.625 1.00 52.12 H new ATOM 0 HG23 THR A 99 2.288 8.800 3.381 1.00 52.12 H new ATOM 1566 N GLU A 100 2.521 8.321 -0.142 1.00 41.42 N ATOM 1567 CA GLU A 100 3.279 7.428 -0.992 1.00 44.11 C ATOM 1568 C GLU A 100 4.268 6.687 -0.105 1.00 21.25 C ATOM 1569 O GLU A 100 5.106 7.313 0.559 1.00 2.05 O ATOM 1570 CB GLU A 100 4.017 8.225 -2.097 1.00 2.31 C ATOM 1571 CG GLU A 100 4.917 7.357 -3.002 1.00 21.10 C ATOM 1572 CD GLU A 100 5.717 8.168 -4.028 1.00 54.21 C ATOM 1573 OE1 GLU A 100 6.676 8.846 -3.634 1.00 0.55 O ATOM 1574 OE2 GLU A 100 5.390 8.130 -5.230 1.00 20.13 O ATOM 0 H GLU A 100 3.044 9.151 0.137 1.00 41.42 H new ATOM 0 HA GLU A 100 2.618 6.721 -1.494 1.00 44.11 H new ATOM 0 HB2 GLU A 100 3.280 8.735 -2.717 1.00 2.31 H new ATOM 0 HB3 GLU A 100 4.627 8.997 -1.628 1.00 2.31 H new ATOM 0 HG2 GLU A 100 5.609 6.792 -2.378 1.00 21.10 H new ATOM 0 HG3 GLU A 100 4.297 6.631 -3.528 1.00 21.10 H new ATOM 1581 N PHE A 101 4.124 5.368 -0.039 1.00 61.51 N ATOM 1582 CA PHE A 101 5.076 4.506 0.647 1.00 33.42 C ATOM 1583 C PHE A 101 6.031 3.939 -0.411 1.00 24.21 C ATOM 1584 O PHE A 101 5.597 3.263 -1.358 1.00 34.24 O ATOM 1585 CB PHE A 101 4.341 3.387 1.422 1.00 41.11 C ATOM 1586 CG PHE A 101 3.404 3.887 2.530 1.00 73.51 C ATOM 1587 CD1 PHE A 101 3.908 4.260 3.781 1.00 55.23 C ATOM 1588 CD2 PHE A 101 2.020 3.976 2.325 1.00 72.15 C ATOM 1589 CE1 PHE A 101 3.060 4.698 4.788 1.00 3.11 C ATOM 1590 CE2 PHE A 101 1.179 4.415 3.335 1.00 44.40 C ATOM 1591 CZ PHE A 101 1.700 4.776 4.564 1.00 22.53 C ATOM 0 H PHE A 101 3.342 4.867 -0.461 1.00 61.51 H new ATOM 0 HA PHE A 101 5.644 5.068 1.388 1.00 33.42 H new ATOM 0 HB2 PHE A 101 3.762 2.793 0.715 1.00 41.11 H new ATOM 0 HB3 PHE A 101 5.083 2.722 1.864 1.00 41.11 H new ATOM 0 HD1 PHE A 101 4.971 4.206 3.965 1.00 55.23 H new ATOM 0 HD2 PHE A 101 1.604 3.699 1.368 1.00 72.15 H new ATOM 0 HE1 PHE A 101 3.465 4.979 5.749 1.00 3.11 H new ATOM 0 HE2 PHE A 101 0.115 4.475 3.162 1.00 44.40 H new ATOM 0 HZ PHE A 101 1.043 5.119 5.349 1.00 22.53 H new ATOM 1601 N GLN A 102 7.325 4.240 -0.253 1.00 20.24 N ATOM 1602 CA GLN A 102 8.366 3.900 -1.239 1.00 14.22 C ATOM 1603 C GLN A 102 9.270 2.790 -0.691 1.00 33.35 C ATOM 1604 O GLN A 102 9.475 2.703 0.520 1.00 1.03 O ATOM 1605 CB GLN A 102 9.207 5.159 -1.601 1.00 22.40 C ATOM 1606 CG GLN A 102 9.921 5.832 -0.404 1.00 72.11 C ATOM 1607 CD GLN A 102 10.923 6.923 -0.794 1.00 32.32 C ATOM 1608 OE1 GLN A 102 10.787 7.580 -1.827 1.00 71.24 O ATOM 1609 NE2 GLN A 102 11.928 7.137 0.042 1.00 14.13 N ATOM 0 H GLN A 102 7.685 4.729 0.566 1.00 20.24 H new ATOM 0 HA GLN A 102 7.882 3.540 -2.147 1.00 14.22 H new ATOM 0 HB2 GLN A 102 9.956 4.877 -2.341 1.00 22.40 H new ATOM 0 HB3 GLN A 102 8.553 5.892 -2.074 1.00 22.40 H new ATOM 0 HG2 GLN A 102 9.168 6.266 0.254 1.00 72.11 H new ATOM 0 HG3 GLN A 102 10.442 5.066 0.169 1.00 72.11 H new ATOM 0 HE21 GLN A 102 12.014 6.577 0.890 1.00 14.13 H new ATOM 0 HE22 GLN A 102 12.616 7.862 -0.162 1.00 14.13 H new ATOM 1618 N HIS A 103 9.789 1.942 -1.592 1.00 42.33 N ATOM 1619 CA HIS A 103 10.742 0.880 -1.235 1.00 41.44 C ATOM 1620 C HIS A 103 11.533 0.447 -2.492 1.00 44.40 C ATOM 1621 O HIS A 103 10.913 0.177 -3.519 1.00 20.24 O ATOM 1622 CB HIS A 103 9.993 -0.332 -0.607 1.00 24.30 C ATOM 1623 CG HIS A 103 10.895 -1.308 0.086 1.00 12.42 C ATOM 1624 ND1 HIS A 103 11.343 -2.483 -0.481 1.00 51.32 N ATOM 1625 CD2 HIS A 103 11.472 -1.239 1.303 1.00 31.43 C ATOM 1626 CE1 HIS A 103 12.164 -3.082 0.365 1.00 33.21 C ATOM 1627 NE2 HIS A 103 12.252 -2.348 1.446 1.00 24.41 N ATOM 0 H HIS A 103 9.561 1.973 -2.586 1.00 42.33 H new ATOM 0 HA HIS A 103 11.444 1.262 -0.494 1.00 41.44 H new ATOM 0 HB2 HIS A 103 9.257 0.038 0.107 1.00 24.30 H new ATOM 0 HB3 HIS A 103 9.443 -0.853 -1.391 1.00 24.30 H new ATOM 0 HD2 HIS A 103 11.341 -0.451 2.030 1.00 31.43 H new ATOM 0 HE1 HIS A 103 12.675 -4.018 0.194 1.00 33.21 H new ATOM 0 HE2 HIS A 103 12.816 -2.571 2.266 1.00 24.41 H new ATOM 1636 N PRO A 104 12.911 0.350 -2.425 1.00 3.43 N ATOM 1637 CA PRO A 104 13.767 0.010 -3.607 1.00 55.45 C ATOM 1638 C PRO A 104 13.494 -1.400 -4.189 1.00 53.22 C ATOM 1639 O PRO A 104 13.718 -1.636 -5.383 1.00 11.34 O ATOM 1640 CB PRO A 104 15.215 0.127 -3.052 1.00 62.04 C ATOM 1641 CG PRO A 104 15.078 -0.032 -1.568 1.00 75.31 C ATOM 1642 CD PRO A 104 13.750 0.595 -1.213 1.00 31.34 C ATOM 0 HA PRO A 104 13.566 0.674 -4.448 1.00 55.45 H new ATOM 0 HB2 PRO A 104 15.862 -0.643 -3.473 1.00 62.04 H new ATOM 0 HB3 PRO A 104 15.658 1.090 -3.306 1.00 62.04 H new ATOM 0 HG2 PRO A 104 15.104 -1.084 -1.282 1.00 75.31 H new ATOM 0 HG3 PRO A 104 15.897 0.461 -1.044 1.00 75.31 H new ATOM 0 HD2 PRO A 104 13.315 0.137 -0.325 1.00 31.34 H new ATOM 0 HD3 PRO A 104 13.852 1.660 -1.005 1.00 31.34 H new ATOM 1650 N CYS A 105 13.003 -2.327 -3.340 1.00 22.24 N ATOM 1651 CA CYS A 105 12.661 -3.713 -3.759 1.00 2.41 C ATOM 1652 C CYS A 105 11.138 -3.881 -3.932 1.00 24.20 C ATOM 1653 O CYS A 105 10.618 -4.993 -3.886 1.00 62.14 O ATOM 1654 CB CYS A 105 13.246 -4.742 -2.756 1.00 75.14 C ATOM 1655 SG CYS A 105 15.051 -4.755 -2.703 1.00 53.23 S ATOM 0 H CYS A 105 12.832 -2.143 -2.351 1.00 22.24 H new ATOM 0 HA CYS A 105 13.115 -3.903 -4.732 1.00 2.41 H new ATOM 0 HB2 CYS A 105 12.863 -4.523 -1.759 1.00 75.14 H new ATOM 0 HB3 CYS A 105 12.892 -5.738 -3.022 1.00 75.14 H new ATOM 0 HG CYS A 105 15.453 -5.640 -1.840 1.00 53.23 H new ATOM 1661 N PHE A 106 10.426 -2.761 -4.149 1.00 54.54 N ATOM 1662 CA PHE A 106 9.001 -2.764 -4.525 1.00 34.03 C ATOM 1663 C PHE A 106 8.869 -2.076 -5.883 1.00 73.44 C ATOM 1664 O PHE A 106 9.078 -0.870 -5.984 1.00 23.33 O ATOM 1665 CB PHE A 106 8.119 -2.032 -3.466 1.00 2.51 C ATOM 1666 CG PHE A 106 6.614 -2.024 -3.793 1.00 21.10 C ATOM 1667 CD1 PHE A 106 5.821 -3.134 -3.508 1.00 5.25 C ATOM 1668 CD2 PHE A 106 6.000 -0.917 -4.397 1.00 35.34 C ATOM 1669 CE1 PHE A 106 4.469 -3.145 -3.814 1.00 62.42 C ATOM 1670 CE2 PHE A 106 4.650 -0.929 -4.700 1.00 22.11 C ATOM 1671 CZ PHE A 106 3.885 -2.045 -4.408 1.00 2.25 C ATOM 0 H PHE A 106 10.824 -1.825 -4.068 1.00 54.54 H new ATOM 0 HA PHE A 106 8.648 -3.794 -4.575 1.00 34.03 H new ATOM 0 HB2 PHE A 106 8.266 -2.508 -2.496 1.00 2.51 H new ATOM 0 HB3 PHE A 106 8.464 -1.002 -3.372 1.00 2.51 H new ATOM 0 HD1 PHE A 106 6.267 -4.000 -3.041 1.00 5.25 H new ATOM 0 HD2 PHE A 106 6.590 -0.042 -4.629 1.00 35.34 H new ATOM 0 HE1 PHE A 106 3.872 -4.016 -3.587 1.00 62.42 H new ATOM 0 HE2 PHE A 106 4.193 -0.068 -5.164 1.00 22.11 H new ATOM 0 HZ PHE A 106 2.831 -2.055 -4.645 1.00 2.25 H new ATOM 1681 N LEU A 107 8.587 -2.848 -6.933 1.00 24.04 N ATOM 1682 CA LEU A 107 8.233 -2.304 -8.249 1.00 43.33 C ATOM 1683 C LEU A 107 6.798 -2.729 -8.593 1.00 71.21 C ATOM 1684 O LEU A 107 6.568 -3.910 -8.742 1.00 3.10 O ATOM 1685 CB LEU A 107 9.201 -2.832 -9.338 1.00 32.43 C ATOM 1686 CG LEU A 107 10.708 -2.495 -9.179 1.00 72.52 C ATOM 1687 CD1 LEU A 107 11.507 -3.133 -10.331 1.00 71.32 C ATOM 1688 CD2 LEU A 107 10.943 -0.969 -9.090 1.00 62.23 C ATOM 0 H LEU A 107 8.597 -3.867 -6.898 1.00 24.04 H new ATOM 0 HA LEU A 107 8.308 -1.217 -8.216 1.00 43.33 H new ATOM 0 HB2 LEU A 107 9.101 -3.917 -9.380 1.00 32.43 H new ATOM 0 HB3 LEU A 107 8.869 -2.444 -10.301 1.00 32.43 H new ATOM 0 HG LEU A 107 11.064 -2.916 -8.239 1.00 72.52 H new ATOM 0 HD11 LEU A 107 12.564 -2.894 -10.216 1.00 71.32 H new ATOM 0 HD12 LEU A 107 11.375 -4.215 -10.310 1.00 71.32 H new ATOM 0 HD13 LEU A 107 11.148 -2.742 -11.283 1.00 71.32 H new ATOM 0 HD21 LEU A 107 12.009 -0.771 -8.979 1.00 62.23 H new ATOM 0 HD22 LEU A 107 10.578 -0.491 -9.999 1.00 62.23 H new ATOM 0 HD23 LEU A 107 10.408 -0.568 -8.229 1.00 62.23 H new ATOM 1700 N ARG A 108 5.865 -1.756 -8.617 1.00 21.14 N ATOM 1701 CA ARG A 108 4.496 -1.863 -9.217 1.00 73.10 C ATOM 1702 C ARG A 108 3.762 -3.218 -8.965 1.00 41.20 C ATOM 1703 O ARG A 108 2.939 -3.320 -8.048 1.00 21.41 O ATOM 1704 CB ARG A 108 4.581 -1.531 -10.744 1.00 22.54 C ATOM 1705 CG ARG A 108 3.231 -1.531 -11.494 1.00 24.14 C ATOM 1706 CD ARG A 108 3.368 -1.127 -12.974 1.00 62.55 C ATOM 1707 NE ARG A 108 2.083 -1.199 -13.691 1.00 15.33 N ATOM 1708 CZ ARG A 108 1.931 -1.060 -15.019 1.00 61.10 C ATOM 1709 NH1 ARG A 108 2.980 -0.825 -15.803 1.00 42.13 N ATOM 1710 NH2 ARG A 108 0.721 -1.138 -15.556 1.00 43.21 N ATOM 0 H ARG A 108 6.038 -0.838 -8.208 1.00 21.14 H new ATOM 0 HA ARG A 108 3.874 -1.133 -8.700 1.00 73.10 H new ATOM 0 HB2 ARG A 108 5.043 -0.551 -10.861 1.00 22.54 H new ATOM 0 HB3 ARG A 108 5.243 -2.254 -11.220 1.00 22.54 H new ATOM 0 HG2 ARG A 108 2.787 -2.525 -11.433 1.00 24.14 H new ATOM 0 HG3 ARG A 108 2.545 -0.845 -10.997 1.00 24.14 H new ATOM 0 HD2 ARG A 108 3.761 -0.112 -13.037 1.00 62.55 H new ATOM 0 HD3 ARG A 108 4.092 -1.780 -13.462 1.00 62.55 H new ATOM 0 HE ARG A 108 1.244 -1.367 -13.136 1.00 15.33 H new ATOM 0 HH11 ARG A 108 3.913 -0.748 -15.397 1.00 42.13 H new ATOM 0 HH12 ARG A 108 2.851 -0.721 -16.810 1.00 42.13 H new ATOM 0 HH21 ARG A 108 -0.091 -1.303 -14.961 1.00 43.21 H new ATOM 0 HH22 ARG A 108 0.602 -1.033 -16.564 1.00 43.21 H new ATOM 1724 N GLY A 109 4.103 -4.251 -9.774 1.00 63.13 N ATOM 1725 CA GLY A 109 3.451 -5.570 -9.721 1.00 45.41 C ATOM 1726 C GLY A 109 4.441 -6.725 -9.818 1.00 61.31 C ATOM 1727 O GLY A 109 4.114 -7.790 -10.343 1.00 62.54 O ATOM 0 H GLY A 109 4.838 -4.187 -10.479 1.00 63.13 H new ATOM 0 HA2 GLY A 109 2.891 -5.656 -8.790 1.00 45.41 H new ATOM 0 HA3 GLY A 109 2.730 -5.646 -10.535 1.00 45.41 H new ATOM 1731 N GLN A 110 5.671 -6.507 -9.327 1.00 50.13 N ATOM 1732 CA GLN A 110 6.716 -7.538 -9.271 1.00 10.52 C ATOM 1733 C GLN A 110 6.578 -8.274 -7.929 1.00 33.31 C ATOM 1734 O GLN A 110 7.194 -7.896 -6.926 1.00 75.24 O ATOM 1735 CB GLN A 110 8.153 -6.936 -9.454 1.00 22.53 C ATOM 1736 CG GLN A 110 8.640 -6.754 -10.927 1.00 23.42 C ATOM 1737 CD GLN A 110 8.282 -5.422 -11.617 1.00 50.41 C ATOM 1738 OE1 GLN A 110 9.030 -4.935 -12.469 1.00 52.01 O ATOM 1739 NE2 GLN A 110 7.169 -4.809 -11.273 1.00 12.11 N ATOM 0 H GLN A 110 5.969 -5.605 -8.956 1.00 50.13 H new ATOM 0 HA GLN A 110 6.584 -8.236 -10.098 1.00 10.52 H new ATOM 0 HB2 GLN A 110 8.183 -5.965 -8.960 1.00 22.53 H new ATOM 0 HB3 GLN A 110 8.863 -7.580 -8.935 1.00 22.53 H new ATOM 0 HG2 GLN A 110 9.724 -6.864 -10.943 1.00 23.42 H new ATOM 0 HG3 GLN A 110 8.228 -7.568 -11.524 1.00 23.42 H new ATOM 0 HE21 GLN A 110 6.557 -5.220 -10.568 1.00 12.11 H new ATOM 0 HE22 GLN A 110 6.918 -3.923 -11.712 1.00 12.11 H new ATOM 1748 N GLU A 111 5.723 -9.304 -7.931 1.00 44.44 N ATOM 1749 CA GLU A 111 5.398 -10.098 -6.737 1.00 41.11 C ATOM 1750 C GLU A 111 6.615 -10.889 -6.209 1.00 14.32 C ATOM 1751 O GLU A 111 6.690 -11.171 -5.011 1.00 41.34 O ATOM 1752 CB GLU A 111 4.185 -11.040 -7.004 1.00 21.23 C ATOM 1753 CG GLU A 111 4.428 -12.234 -7.958 1.00 61.40 C ATOM 1754 CD GLU A 111 4.974 -11.854 -9.348 1.00 20.34 C ATOM 1755 OE1 GLU A 111 4.265 -11.162 -10.112 1.00 14.42 O ATOM 1756 OE2 GLU A 111 6.117 -12.239 -9.682 1.00 21.40 O ATOM 0 H GLU A 111 5.232 -9.614 -8.770 1.00 44.44 H new ATOM 0 HA GLU A 111 5.116 -9.394 -5.954 1.00 41.11 H new ATOM 0 HB2 GLU A 111 3.843 -11.434 -6.047 1.00 21.23 H new ATOM 0 HB3 GLU A 111 3.371 -10.440 -7.411 1.00 21.23 H new ATOM 0 HG2 GLU A 111 5.128 -12.922 -7.484 1.00 61.40 H new ATOM 0 HG3 GLU A 111 3.490 -12.773 -8.087 1.00 61.40 H new ATOM 1763 N GLN A 112 7.588 -11.211 -7.097 1.00 23.44 N ATOM 1764 CA GLN A 112 8.831 -11.921 -6.703 1.00 4.22 C ATOM 1765 C GLN A 112 9.745 -11.026 -5.836 1.00 64.34 C ATOM 1766 O GLN A 112 10.601 -11.533 -5.107 1.00 62.43 O ATOM 1767 CB GLN A 112 9.636 -12.455 -7.941 1.00 14.30 C ATOM 1768 CG GLN A 112 10.442 -11.412 -8.771 1.00 23.44 C ATOM 1769 CD GLN A 112 9.632 -10.593 -9.793 1.00 31.14 C ATOM 1770 OE1 GLN A 112 8.448 -10.323 -9.617 1.00 55.15 O ATOM 1771 NE2 GLN A 112 10.275 -10.192 -10.890 1.00 74.21 N ATOM 0 H GLN A 112 7.536 -10.990 -8.091 1.00 23.44 H new ATOM 0 HA GLN A 112 8.511 -12.780 -6.113 1.00 4.22 H new ATOM 0 HB2 GLN A 112 10.332 -13.216 -7.588 1.00 14.30 H new ATOM 0 HB3 GLN A 112 8.934 -12.951 -8.612 1.00 14.30 H new ATOM 0 HG2 GLN A 112 10.923 -10.720 -8.080 1.00 23.44 H new ATOM 0 HG3 GLN A 112 11.237 -11.936 -9.302 1.00 23.44 H new ATOM 0 HE21 GLN A 112 11.259 -10.426 -11.018 1.00 74.21 H new ATOM 0 HE22 GLN A 112 9.783 -9.651 -11.601 1.00 74.21 H new ATOM 1780 N LEU A 113 9.558 -9.695 -5.931 1.00 34.21 N ATOM 1781 CA LEU A 113 10.364 -8.710 -5.185 1.00 13.44 C ATOM 1782 C LEU A 113 9.734 -8.399 -3.812 1.00 21.11 C ATOM 1783 O LEU A 113 10.385 -7.802 -2.954 1.00 12.23 O ATOM 1784 CB LEU A 113 10.548 -7.413 -6.023 1.00 52.31 C ATOM 1785 CG LEU A 113 11.371 -7.556 -7.347 1.00 30.20 C ATOM 1786 CD1 LEU A 113 11.494 -6.199 -8.080 1.00 22.21 C ATOM 1787 CD2 LEU A 113 12.761 -8.174 -7.073 1.00 54.12 C ATOM 0 H LEU A 113 8.845 -9.273 -6.526 1.00 34.21 H new ATOM 0 HA LEU A 113 11.348 -9.143 -5.003 1.00 13.44 H new ATOM 0 HB2 LEU A 113 9.561 -7.024 -6.274 1.00 52.31 H new ATOM 0 HB3 LEU A 113 11.035 -6.666 -5.396 1.00 52.31 H new ATOM 0 HG LEU A 113 10.829 -8.236 -8.004 1.00 30.20 H new ATOM 0 HD11 LEU A 113 12.071 -6.331 -8.995 1.00 22.21 H new ATOM 0 HD12 LEU A 113 10.500 -5.828 -8.328 1.00 22.21 H new ATOM 0 HD13 LEU A 113 11.999 -5.481 -7.434 1.00 22.21 H new ATOM 0 HD21 LEU A 113 13.311 -8.262 -8.010 1.00 54.12 H new ATOM 0 HD22 LEU A 113 13.315 -7.534 -6.386 1.00 54.12 H new ATOM 0 HD23 LEU A 113 12.639 -9.162 -6.630 1.00 54.12 H new ATOM 1799 N LEU A 114 8.469 -8.820 -3.610 1.00 40.11 N ATOM 1800 CA LEU A 114 7.774 -8.687 -2.309 1.00 1.15 C ATOM 1801 C LEU A 114 8.462 -9.540 -1.223 1.00 21.51 C ATOM 1802 O LEU A 114 8.549 -9.131 -0.063 1.00 23.22 O ATOM 1803 CB LEU A 114 6.286 -9.087 -2.430 1.00 13.53 C ATOM 1804 CG LEU A 114 5.410 -8.236 -3.397 1.00 62.42 C ATOM 1805 CD1 LEU A 114 4.006 -8.855 -3.525 1.00 34.12 C ATOM 1806 CD2 LEU A 114 5.338 -6.760 -2.945 1.00 63.55 C ATOM 0 H LEU A 114 7.903 -9.259 -4.336 1.00 40.11 H new ATOM 0 HA LEU A 114 7.829 -7.639 -2.015 1.00 1.15 H new ATOM 0 HB2 LEU A 114 6.238 -10.127 -2.753 1.00 13.53 H new ATOM 0 HB3 LEU A 114 5.839 -9.041 -1.437 1.00 13.53 H new ATOM 0 HG LEU A 114 5.879 -8.244 -4.381 1.00 62.42 H new ATOM 0 HD11 LEU A 114 3.403 -8.252 -4.203 1.00 34.12 H new ATOM 0 HD12 LEU A 114 4.090 -9.868 -3.918 1.00 34.12 H new ATOM 0 HD13 LEU A 114 3.530 -8.884 -2.545 1.00 34.12 H new ATOM 0 HD21 LEU A 114 4.719 -6.196 -3.642 1.00 63.55 H new ATOM 0 HD22 LEU A 114 4.902 -6.706 -1.947 1.00 63.55 H new ATOM 0 HD23 LEU A 114 6.342 -6.336 -2.926 1.00 63.55 H new ATOM 1818 N GLU A 115 8.980 -10.719 -1.616 1.00 11.13 N ATOM 1819 CA GLU A 115 9.706 -11.609 -0.682 1.00 30.44 C ATOM 1820 C GLU A 115 11.168 -11.159 -0.485 1.00 42.11 C ATOM 1821 O GLU A 115 11.913 -11.784 0.272 1.00 54.10 O ATOM 1822 CB GLU A 115 9.649 -13.081 -1.137 1.00 34.22 C ATOM 1823 CG GLU A 115 10.312 -13.393 -2.492 1.00 21.43 C ATOM 1824 CD GLU A 115 10.499 -14.901 -2.701 1.00 10.43 C ATOM 1825 OE1 GLU A 115 11.515 -15.448 -2.208 1.00 11.11 O ATOM 1826 OE2 GLU A 115 9.626 -15.559 -3.312 1.00 51.20 O ATOM 0 H GLU A 115 8.911 -11.078 -2.568 1.00 11.13 H new ATOM 0 HA GLU A 115 9.199 -11.535 0.280 1.00 30.44 H new ATOM 0 HB2 GLU A 115 10.123 -13.696 -0.372 1.00 34.22 H new ATOM 0 HB3 GLU A 115 8.604 -13.385 -1.187 1.00 34.22 H new ATOM 0 HG2 GLU A 115 9.700 -12.988 -3.298 1.00 21.43 H new ATOM 0 HG3 GLU A 115 11.280 -12.896 -2.546 1.00 21.43 H new ATOM 1833 N ASN A 116 11.572 -10.088 -1.187 1.00 34.03 N ATOM 1834 CA ASN A 116 12.868 -9.409 -0.964 1.00 42.44 C ATOM 1835 C ASN A 116 12.688 -8.331 0.125 1.00 14.02 C ATOM 1836 O ASN A 116 13.642 -7.970 0.818 1.00 64.13 O ATOM 1837 CB ASN A 116 13.387 -8.746 -2.275 1.00 2.31 C ATOM 1838 CG ASN A 116 13.665 -9.708 -3.453 1.00 73.54 C ATOM 1839 OD1 ASN A 116 14.566 -9.459 -4.259 1.00 43.22 O ATOM 1840 ND2 ASN A 116 12.894 -10.785 -3.604 1.00 54.42 N ATOM 0 H ASN A 116 11.012 -9.665 -1.927 1.00 34.03 H new ATOM 0 HA ASN A 116 13.602 -10.150 -0.645 1.00 42.44 H new ATOM 0 HB2 ASN A 116 12.655 -8.007 -2.600 1.00 2.31 H new ATOM 0 HB3 ASN A 116 14.306 -8.206 -2.047 1.00 2.31 H new ATOM 0 HD21 ASN A 116 13.045 -11.414 -4.392 1.00 54.42 H new ATOM 0 HD22 ASN A 116 12.153 -10.980 -2.931 1.00 54.42 H new ATOM 1847 N ILE A 117 11.434 -7.848 0.274 1.00 42.12 N ATOM 1848 CA ILE A 117 11.069 -6.790 1.232 1.00 0.35 C ATOM 1849 C ILE A 117 10.927 -7.414 2.633 1.00 11.23 C ATOM 1850 O ILE A 117 9.929 -8.091 2.912 1.00 23.35 O ATOM 1851 CB ILE A 117 9.708 -6.108 0.820 1.00 73.35 C ATOM 1852 CG1 ILE A 117 9.755 -5.590 -0.645 1.00 3.32 C ATOM 1853 CG2 ILE A 117 9.335 -4.974 1.797 1.00 74.30 C ATOM 1854 CD1 ILE A 117 8.447 -5.002 -1.148 1.00 2.15 C ATOM 0 H ILE A 117 10.643 -8.187 -0.274 1.00 42.12 H new ATOM 0 HA ILE A 117 11.849 -6.028 1.234 1.00 0.35 H new ATOM 0 HB ILE A 117 8.929 -6.868 0.877 1.00 73.35 H new ATOM 0 HG12 ILE A 117 10.534 -4.831 -0.724 1.00 3.32 H new ATOM 0 HG13 ILE A 117 10.044 -6.413 -1.299 1.00 3.32 H new ATOM 0 HG21 ILE A 117 8.392 -4.523 1.488 1.00 74.30 H new ATOM 0 HG22 ILE A 117 9.230 -5.380 2.803 1.00 74.30 H new ATOM 0 HG23 ILE A 117 10.119 -4.217 1.792 1.00 74.30 H new ATOM 0 HD11 ILE A 117 8.571 -4.666 -2.178 1.00 2.15 H new ATOM 0 HD12 ILE A 117 7.666 -5.762 -1.106 1.00 2.15 H new ATOM 0 HD13 ILE A 117 8.164 -4.156 -0.522 1.00 2.15 H new ATOM 1866 N LYS A 118 11.911 -7.189 3.519 1.00 25.14 N ATOM 1867 CA LYS A 118 11.995 -7.903 4.811 1.00 45.31 C ATOM 1868 C LYS A 118 11.626 -6.959 5.962 1.00 10.35 C ATOM 1869 O LYS A 118 12.011 -5.785 5.967 1.00 0.14 O ATOM 1870 CB LYS A 118 13.420 -8.519 5.008 1.00 4.44 C ATOM 1871 CG LYS A 118 13.900 -9.544 3.930 1.00 12.13 C ATOM 1872 CD LYS A 118 13.168 -10.926 3.950 1.00 75.13 C ATOM 1873 CE LYS A 118 11.773 -10.916 3.308 1.00 12.15 C ATOM 1874 NZ LYS A 118 11.085 -12.235 3.367 1.00 21.32 N ATOM 0 H LYS A 118 12.663 -6.517 3.367 1.00 25.14 H new ATOM 0 HA LYS A 118 11.280 -8.725 4.808 1.00 45.31 H new ATOM 0 HB2 LYS A 118 14.141 -7.702 5.045 1.00 4.44 H new ATOM 0 HB3 LYS A 118 13.446 -9.011 5.980 1.00 4.44 H new ATOM 0 HG2 LYS A 118 13.771 -9.097 2.944 1.00 12.13 H new ATOM 0 HG3 LYS A 118 14.968 -9.715 4.065 1.00 12.13 H new ATOM 0 HD2 LYS A 118 13.787 -11.659 3.432 1.00 75.13 H new ATOM 0 HD3 LYS A 118 13.076 -11.260 4.984 1.00 75.13 H new ATOM 0 HE2 LYS A 118 11.156 -10.170 3.809 1.00 12.15 H new ATOM 0 HE3 LYS A 118 11.863 -10.608 2.266 1.00 12.15 H new ATOM 0 HZ1 LYS A 118 10.259 -12.224 2.735 1.00 21.32 H new ATOM 0 HZ2 LYS A 118 11.742 -12.983 3.066 1.00 21.32 H new ATOM 0 HZ3 LYS A 118 10.773 -12.420 4.342 1.00 21.32 H new ATOM 1888 N ARG A 119 10.871 -7.501 6.928 1.00 33.34 N ATOM 1889 CA ARG A 119 10.383 -6.747 8.096 1.00 64.41 C ATOM 1890 C ARG A 119 11.492 -6.602 9.157 1.00 74.33 C ATOM 1891 O ARG A 119 11.567 -5.590 9.857 1.00 55.40 O ATOM 1892 CB ARG A 119 9.121 -7.434 8.690 1.00 14.14 C ATOM 1893 CG ARG A 119 9.303 -8.920 9.059 1.00 53.23 C ATOM 1894 CD ARG A 119 8.030 -9.532 9.668 1.00 21.23 C ATOM 1895 NE ARG A 119 7.620 -8.833 10.898 1.00 10.14 N ATOM 1896 CZ ARG A 119 6.423 -8.949 11.499 1.00 71.13 C ATOM 1897 NH1 ARG A 119 5.470 -9.741 11.001 1.00 5.43 N ATOM 1898 NH2 ARG A 119 6.181 -8.247 12.600 1.00 15.23 N ATOM 0 H ARG A 119 10.579 -8.478 6.923 1.00 33.34 H new ATOM 0 HA ARG A 119 10.104 -5.744 7.772 1.00 64.41 H new ATOM 0 HB2 ARG A 119 8.814 -6.888 9.582 1.00 14.14 H new ATOM 0 HB3 ARG A 119 8.307 -7.351 7.970 1.00 14.14 H new ATOM 0 HG2 ARG A 119 9.582 -9.482 8.168 1.00 53.23 H new ATOM 0 HG3 ARG A 119 10.125 -9.018 9.768 1.00 53.23 H new ATOM 0 HD2 ARG A 119 7.221 -9.488 8.939 1.00 21.23 H new ATOM 0 HD3 ARG A 119 8.203 -10.585 9.889 1.00 21.23 H new ATOM 0 HE ARG A 119 8.301 -8.209 11.330 1.00 10.14 H new ATOM 0 HH11 ARG A 119 5.643 -10.273 10.148 1.00 5.43 H new ATOM 0 HH12 ARG A 119 4.569 -9.814 11.474 1.00 5.43 H new ATOM 0 HH21 ARG A 119 6.899 -7.630 12.979 1.00 15.23 H new ATOM 0 HH22 ARG A 119 5.277 -8.325 13.066 1.00 15.23 H new ATOM 1912 N LYS A 120 12.365 -7.625 9.250 1.00 50.10 N ATOM 1913 CA LYS A 120 13.434 -7.706 10.266 1.00 73.14 C ATOM 1914 C LYS A 120 14.774 -8.078 9.607 1.00 52.32 C ATOM 1915 O LYS A 120 14.866 -8.181 8.376 1.00 62.44 O ATOM 1916 CB LYS A 120 13.059 -8.787 11.321 1.00 41.14 C ATOM 1917 CG LYS A 120 11.737 -8.545 12.080 1.00 1.42 C ATOM 1918 CD LYS A 120 11.361 -9.736 12.992 1.00 15.10 C ATOM 1919 CE LYS A 120 12.417 -10.020 14.071 1.00 12.45 C ATOM 1920 NZ LYS A 120 12.076 -11.219 14.879 1.00 74.43 N ATOM 0 H LYS A 120 12.348 -8.425 8.617 1.00 50.10 H new ATOM 0 HA LYS A 120 13.538 -6.734 10.749 1.00 73.14 H new ATOM 0 HB2 LYS A 120 12.998 -9.753 10.820 1.00 41.14 H new ATOM 0 HB3 LYS A 120 13.868 -8.856 12.048 1.00 41.14 H new ATOM 0 HG2 LYS A 120 11.826 -7.642 12.683 1.00 1.42 H new ATOM 0 HG3 LYS A 120 10.935 -8.371 11.363 1.00 1.42 H new ATOM 0 HD2 LYS A 120 10.404 -9.531 13.472 1.00 15.10 H new ATOM 0 HD3 LYS A 120 11.226 -10.627 12.380 1.00 15.10 H new ATOM 0 HE2 LYS A 120 13.389 -10.165 13.599 1.00 12.45 H new ATOM 0 HE3 LYS A 120 12.508 -9.154 14.727 1.00 12.45 H new ATOM 0 HZ1 LYS A 120 12.813 -11.376 15.595 1.00 74.43 H new ATOM 0 HZ2 LYS A 120 11.161 -11.071 15.351 1.00 74.43 H new ATOM 0 HZ3 LYS A 120 12.015 -12.051 14.257 1.00 74.43 H new ATOM 1934 N VAL A 121 15.808 -8.255 10.454 1.00 21.12 N ATOM 1935 CA VAL A 121 17.088 -8.863 10.055 1.00 71.42 C ATOM 1936 C VAL A 121 16.889 -10.387 9.988 1.00 42.24 C ATOM 1937 O VAL A 121 17.173 -11.019 8.964 1.00 32.50 O ATOM 1938 CB VAL A 121 18.245 -8.505 11.065 1.00 52.05 C ATOM 1939 CG1 VAL A 121 19.596 -9.136 10.634 1.00 34.12 C ATOM 1940 CG2 VAL A 121 18.362 -6.970 11.245 1.00 2.14 C ATOM 0 H VAL A 121 15.776 -7.979 11.435 1.00 21.12 H new ATOM 0 HA VAL A 121 17.385 -8.470 9.083 1.00 71.42 H new ATOM 0 HB VAL A 121 17.989 -8.936 12.033 1.00 52.05 H new ATOM 0 HG11 VAL A 121 20.369 -8.867 11.354 1.00 34.12 H new ATOM 0 HG12 VAL A 121 19.496 -10.221 10.597 1.00 34.12 H new ATOM 0 HG13 VAL A 121 19.873 -8.764 9.648 1.00 34.12 H new ATOM 0 HG21 VAL A 121 19.166 -6.746 11.946 1.00 2.14 H new ATOM 0 HG22 VAL A 121 18.580 -6.506 10.283 1.00 2.14 H new ATOM 0 HG23 VAL A 121 17.423 -6.577 11.633 1.00 2.14 H new ATOM 1950 N THR A 122 16.381 -10.960 11.101 1.00 24.21 N ATOM 1951 CA THR A 122 15.919 -12.349 11.151 1.00 2.23 C ATOM 1952 C THR A 122 14.571 -12.455 10.415 1.00 73.22 C ATOM 1953 O THR A 122 13.501 -12.215 10.988 1.00 4.33 O ATOM 1954 CB THR A 122 15.791 -12.864 12.626 1.00 3.45 C ATOM 1955 OG1 THR A 122 15.068 -11.901 13.417 1.00 65.01 O ATOM 1956 CG2 THR A 122 17.163 -13.132 13.266 1.00 12.42 C ATOM 0 H THR A 122 16.283 -10.465 11.987 1.00 24.21 H new ATOM 0 HA THR A 122 16.657 -12.982 10.658 1.00 2.23 H new ATOM 0 HB THR A 122 15.249 -13.809 12.598 1.00 3.45 H new ATOM 0 HG1 THR A 122 14.989 -12.227 14.338 1.00 65.01 H new ATOM 0 HG21 THR A 122 17.025 -13.487 14.287 1.00 12.42 H new ATOM 0 HG22 THR A 122 17.693 -13.889 12.687 1.00 12.42 H new ATOM 0 HG23 THR A 122 17.745 -12.211 13.278 1.00 12.42 H new ATOM 1964 N SER A 123 14.655 -12.732 9.111 1.00 52.34 N ATOM 1965 CA SER A 123 13.498 -12.870 8.229 1.00 43.41 C ATOM 1966 C SER A 123 13.810 -13.924 7.153 1.00 52.01 C ATOM 1967 O SER A 123 13.618 -13.687 5.946 1.00 12.22 O ATOM 1968 CB SER A 123 13.128 -11.487 7.618 1.00 34.34 C ATOM 1969 OG SER A 123 12.645 -10.593 8.608 1.00 60.35 O ATOM 0 H SER A 123 15.545 -12.869 8.632 1.00 52.34 H new ATOM 0 HA SER A 123 12.628 -13.212 8.790 1.00 43.41 H new ATOM 0 HB2 SER A 123 14.004 -11.056 7.134 1.00 34.34 H new ATOM 0 HB3 SER A 123 12.370 -11.620 6.846 1.00 34.34 H new ATOM 0 HG SER A 123 11.732 -10.317 8.382 1.00 60.35 H new ATOM 1975 N VAL A 124 14.318 -15.100 7.609 1.00 61.31 N ATOM 1976 CA VAL A 124 14.542 -16.275 6.735 1.00 34.41 C ATOM 1977 C VAL A 124 13.200 -16.699 6.097 1.00 10.32 C ATOM 1978 O VAL A 124 12.174 -16.752 6.793 1.00 11.21 O ATOM 1979 CB VAL A 124 15.239 -17.475 7.498 1.00 24.32 C ATOM 1980 CG1 VAL A 124 16.682 -17.090 7.923 1.00 33.24 C ATOM 1981 CG2 VAL A 124 14.408 -17.957 8.711 1.00 43.44 C ATOM 0 H VAL A 124 14.580 -15.256 8.582 1.00 61.31 H new ATOM 0 HA VAL A 124 15.237 -15.989 5.945 1.00 34.41 H new ATOM 0 HB VAL A 124 15.297 -18.313 6.803 1.00 24.32 H new ATOM 0 HG11 VAL A 124 17.143 -17.928 8.446 1.00 33.24 H new ATOM 0 HG12 VAL A 124 17.269 -16.847 7.038 1.00 33.24 H new ATOM 0 HG13 VAL A 124 16.648 -16.224 8.585 1.00 33.24 H new ATOM 0 HG21 VAL A 124 14.926 -18.781 9.203 1.00 43.44 H new ATOM 0 HG22 VAL A 124 14.283 -17.135 9.416 1.00 43.44 H new ATOM 0 HG23 VAL A 124 13.429 -18.295 8.370 1.00 43.44 H new ATOM 1991 N SER A 125 13.240 -16.960 4.775 1.00 32.31 N ATOM 1992 CA SER A 125 12.061 -16.959 3.892 1.00 4.52 C ATOM 1993 C SER A 125 11.567 -15.494 3.705 1.00 61.32 C ATOM 1994 O SER A 125 10.764 -15.000 4.530 1.00 5.30 O ATOM 1995 CB SER A 125 10.936 -17.925 4.371 1.00 61.30 C ATOM 1996 OG SER A 125 11.350 -19.274 4.274 1.00 33.35 O ATOM 1997 OXT SER A 125 12.032 -14.826 2.747 1.00 37.19 O ATOM 0 H SER A 125 14.107 -17.181 4.285 1.00 32.31 H new ATOM 0 HA SER A 125 12.356 -17.354 2.920 1.00 4.52 H new ATOM 0 HB2 SER A 125 10.670 -17.696 5.403 1.00 61.30 H new ATOM 0 HB3 SER A 125 10.040 -17.772 3.770 1.00 61.30 H new ATOM 0 HG SER A 125 11.158 -19.611 3.374 1.00 33.35 H new TER 2003 SER A 125