USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=28 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 110 GLN : amide:sc= -0.224 K(o=0.68,f=-5.6) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.904 K(o=0.68,f=-5.6!) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.0541 K(o=-1.9,f=-2.6) USER MOD Set 2.2: A 77 MET CE :methyl -129:sc= -1.83 (180deg=-3.33!) USER MOD Set 3.1: A 51 GLN : amide:sc= -0.148 K(o=1.2,f=2.9) USER MOD Set 3.2: A 68 MET CE :methyl -169:sc= -0.773 (180deg=-0.858) USER MOD Set 3.3: A 82 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.00461) USER MOD Set 3.4: A 99 THR OG1 : rot -20:sc= 0.865 USER MOD Set 4.1: A 33 THR OG1 : rot 99:sc= -0.567 USER MOD Set 4.2: A 61 LYS NZ :NH3+ -151:sc= 0.726 (180deg=0.05) USER MOD Set 4.3: A 62 TYR OH : rot 60:sc= 0.0583 USER MOD Set 5.1: A 40 SER OG : rot 151:sc= 0.424 USER MOD Set 5.2: A 45 SER OG : rot -149:sc= 0.535 USER MOD Set 5.3: A 47 HIS : no HD1:sc= -0.166 K(o=0.79,f=-0.66) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0391 (180deg=-0.00479) USER MOD Single : A 3 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0.00077) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.054) USER MOD Single : A 6 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 8 HIS : no HE2:sc= 0.0686 K(o=0.069,f=-1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.0932 (180deg=-0.508) USER MOD Single : A 15 SER OG : rot 12:sc= -0.625 USER MOD Single : A 16 ASN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 29 SER OG : rot -79:sc= 0.831 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 GLN : amide:sc= 0.314 K(o=0.31,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= 0.299 K(o=0.3,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= -0.0439 K(o=-0.044,f=-3.1!) USER MOD Single : A 67 ASN : amide:sc= 0.249 K(o=0.25,f=-5.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.107 X(o=0.11,f=-0.0055) USER MOD Single : A 78 TYR OH : rot 165:sc=-0.00964 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 88 GLN : amide:sc= 0.441 X(o=0.44,f=-0.015) USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= 1.04 (180deg=0.085) USER MOD Single : A 102 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.51) USER MOD Single : A 103 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : A 105 CYS SG : rot -91:sc= -3.14! USER MOD Single : A 116 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.097) USER MOD Single : A 118 LYS NZ :NH3+ -141:sc= 0.854 (180deg=0.0281) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -55:sc= 0.184 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 67:sc= 0.0919 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.050 -50.342 -23.493 1.00 74.15 N ATOM 2 CA MET A 1 8.989 -49.393 -24.140 1.00 51.23 C ATOM 3 C MET A 1 9.909 -48.738 -23.094 1.00 30.14 C ATOM 4 O MET A 1 9.535 -48.589 -21.922 1.00 61.43 O ATOM 5 CB MET A 1 8.216 -48.312 -24.950 1.00 10.03 C ATOM 6 CG MET A 1 7.235 -47.465 -24.126 1.00 64.45 C ATOM 7 SD MET A 1 6.391 -46.217 -25.124 1.00 65.21 S ATOM 8 CE MET A 1 5.418 -45.357 -23.887 1.00 34.45 C ATOM 0 H1 MET A 1 7.117 -50.270 -23.946 1.00 74.15 H new ATOM 0 H2 MET A 1 8.411 -51.312 -23.595 1.00 74.15 H new ATOM 0 H3 MET A 1 7.963 -50.110 -22.483 1.00 74.15 H new ATOM 0 HA MET A 1 9.611 -49.955 -24.836 1.00 51.23 H new ATOM 0 HB2 MET A 1 8.939 -47.647 -25.423 1.00 10.03 H new ATOM 0 HB3 MET A 1 7.664 -48.804 -25.751 1.00 10.03 H new ATOM 0 HG2 MET A 1 6.494 -48.118 -23.665 1.00 64.45 H new ATOM 0 HG3 MET A 1 7.775 -46.974 -23.317 1.00 64.45 H new ATOM 0 HE1 MET A 1 4.846 -44.560 -24.363 1.00 34.45 H new ATOM 0 HE2 MET A 1 4.734 -46.059 -23.409 1.00 34.45 H new ATOM 0 HE3 MET A 1 6.081 -44.929 -23.136 1.00 34.45 H new ATOM 20 N GLY A 2 11.119 -48.367 -23.536 1.00 24.24 N ATOM 21 CA GLY A 2 12.091 -47.638 -22.710 1.00 30.04 C ATOM 22 C GLY A 2 12.969 -46.728 -23.556 1.00 74.54 C ATOM 23 O GLY A 2 14.126 -46.461 -23.213 1.00 72.33 O ATOM 0 H GLY A 2 11.452 -48.565 -24.480 1.00 24.24 H new ATOM 0 HA2 GLY A 2 11.563 -47.045 -21.963 1.00 30.04 H new ATOM 0 HA3 GLY A 2 12.716 -48.349 -22.169 1.00 30.04 H new ATOM 27 N HIS A 3 12.383 -46.233 -24.659 1.00 12.33 N ATOM 28 CA HIS A 3 13.081 -45.439 -25.681 1.00 33.15 C ATOM 29 C HIS A 3 12.836 -43.939 -25.424 1.00 31.14 C ATOM 30 O HIS A 3 11.711 -43.536 -25.102 1.00 42.31 O ATOM 31 CB HIS A 3 12.576 -45.861 -27.090 1.00 13.45 C ATOM 32 CG HIS A 3 13.380 -45.317 -28.249 1.00 22.11 C ATOM 33 ND1 HIS A 3 14.208 -46.104 -29.019 1.00 71.13 N ATOM 34 CD2 HIS A 3 13.476 -44.071 -28.769 1.00 63.04 C ATOM 35 CE1 HIS A 3 14.772 -45.368 -29.947 1.00 25.42 C ATOM 36 NE2 HIS A 3 14.347 -44.132 -29.817 1.00 54.12 N ATOM 0 H HIS A 3 11.395 -46.376 -24.868 1.00 12.33 H new ATOM 0 HA HIS A 3 14.155 -45.620 -25.631 1.00 33.15 H new ATOM 0 HB2 HIS A 3 12.575 -46.949 -27.148 1.00 13.45 H new ATOM 0 HB3 HIS A 3 11.542 -45.535 -27.201 1.00 13.45 H new ATOM 0 HD2 HIS A 3 12.958 -43.190 -28.419 1.00 63.04 H new ATOM 0 HE1 HIS A 3 15.469 -45.720 -30.693 1.00 25.42 H new ATOM 0 HE2 HIS A 3 14.623 -43.345 -30.404 1.00 54.12 H new ATOM 45 N HIS A 4 13.901 -43.133 -25.571 1.00 2.41 N ATOM 46 CA HIS A 4 13.855 -41.670 -25.384 1.00 25.40 C ATOM 47 C HIS A 4 12.915 -41.001 -26.413 1.00 23.10 C ATOM 48 O HIS A 4 13.200 -41.011 -27.615 1.00 13.43 O ATOM 49 CB HIS A 4 15.286 -41.090 -25.507 1.00 22.44 C ATOM 50 CG HIS A 4 15.361 -39.578 -25.496 1.00 3.13 C ATOM 51 ND1 HIS A 4 15.598 -38.824 -26.626 1.00 1.10 N ATOM 52 CD2 HIS A 4 15.232 -38.692 -24.485 1.00 40.01 C ATOM 53 CE1 HIS A 4 15.615 -37.550 -26.305 1.00 23.40 C ATOM 54 NE2 HIS A 4 15.394 -37.441 -25.012 1.00 52.33 N ATOM 0 H HIS A 4 14.826 -43.480 -25.825 1.00 2.41 H new ATOM 0 HA HIS A 4 13.459 -41.460 -24.390 1.00 25.40 H new ATOM 0 HB2 HIS A 4 15.891 -41.476 -24.687 1.00 22.44 H new ATOM 0 HB3 HIS A 4 15.733 -41.455 -26.432 1.00 22.44 H new ATOM 0 HD2 HIS A 4 15.037 -38.928 -23.449 1.00 40.01 H new ATOM 0 HE1 HIS A 4 15.782 -36.730 -26.988 1.00 23.40 H new ATOM 0 HE2 HIS A 4 15.351 -36.566 -24.489 1.00 52.33 H new ATOM 63 N HIS A 5 11.793 -40.442 -25.924 1.00 43.13 N ATOM 64 CA HIS A 5 10.837 -39.677 -26.750 1.00 31.24 C ATOM 65 C HIS A 5 11.110 -38.160 -26.602 1.00 25.10 C ATOM 66 O HIS A 5 11.904 -37.600 -27.366 1.00 4.44 O ATOM 67 CB HIS A 5 9.369 -40.037 -26.380 1.00 20.25 C ATOM 68 CG HIS A 5 8.967 -41.459 -26.680 1.00 72.53 C ATOM 69 ND1 HIS A 5 8.953 -42.459 -25.733 1.00 14.21 N ATOM 70 CD2 HIS A 5 8.533 -42.036 -27.825 1.00 1.50 C ATOM 71 CE1 HIS A 5 8.530 -43.577 -26.279 1.00 2.44 C ATOM 72 NE2 HIS A 5 8.267 -43.348 -27.548 1.00 72.33 N ATOM 0 H HIS A 5 11.522 -40.507 -24.943 1.00 43.13 H new ATOM 0 HA HIS A 5 10.977 -39.947 -27.797 1.00 31.24 H new ATOM 0 HB2 HIS A 5 9.222 -39.850 -25.316 1.00 20.25 H new ATOM 0 HB3 HIS A 5 8.700 -39.365 -26.917 1.00 20.25 H new ATOM 0 HD2 HIS A 5 8.418 -41.549 -28.782 1.00 1.50 H new ATOM 0 HE1 HIS A 5 8.417 -44.524 -25.772 1.00 2.44 H new ATOM 0 HE2 HIS A 5 7.921 -44.037 -28.216 1.00 72.33 H new ATOM 81 N HIS A 6 10.500 -37.515 -25.584 1.00 41.02 N ATOM 82 CA HIS A 6 10.599 -36.051 -25.368 1.00 53.10 C ATOM 83 C HIS A 6 10.086 -35.690 -23.962 1.00 33.14 C ATOM 84 O HIS A 6 9.397 -36.492 -23.323 1.00 42.00 O ATOM 85 CB HIS A 6 9.802 -35.263 -26.451 1.00 11.24 C ATOM 86 CG HIS A 6 8.300 -35.443 -26.386 1.00 75.14 C ATOM 87 ND1 HIS A 6 7.431 -34.415 -26.105 1.00 73.23 N ATOM 88 CD2 HIS A 6 7.521 -36.537 -26.580 1.00 25.53 C ATOM 89 CE1 HIS A 6 6.196 -34.866 -26.131 1.00 54.05 C ATOM 90 NE2 HIS A 6 6.221 -36.149 -26.419 1.00 62.32 N ATOM 0 H HIS A 6 9.926 -37.992 -24.889 1.00 41.02 H new ATOM 0 HA HIS A 6 11.648 -35.767 -25.452 1.00 53.10 H new ATOM 0 HB2 HIS A 6 10.032 -34.202 -26.352 1.00 11.24 H new ATOM 0 HB3 HIS A 6 10.149 -35.574 -27.436 1.00 11.24 H new ATOM 0 HD2 HIS A 6 7.866 -37.532 -26.818 1.00 25.53 H new ATOM 0 HE1 HIS A 6 5.308 -34.280 -25.946 1.00 54.05 H new ATOM 0 HE2 HIS A 6 5.405 -36.754 -26.508 1.00 62.32 H new ATOM 99 N HIS A 7 10.400 -34.471 -23.497 1.00 24.41 N ATOM 100 CA HIS A 7 10.016 -34.005 -22.147 1.00 32.22 C ATOM 101 C HIS A 7 8.632 -33.320 -22.146 1.00 60.42 C ATOM 102 O HIS A 7 8.021 -33.095 -23.202 1.00 73.15 O ATOM 103 CB HIS A 7 11.088 -33.033 -21.588 1.00 21.30 C ATOM 104 CG HIS A 7 12.436 -33.660 -21.338 1.00 44.14 C ATOM 105 ND1 HIS A 7 13.515 -33.500 -22.178 1.00 50.03 N ATOM 106 CD2 HIS A 7 12.878 -34.420 -20.309 1.00 12.11 C ATOM 107 CE1 HIS A 7 14.556 -34.133 -21.679 1.00 3.24 C ATOM 108 NE2 HIS A 7 14.195 -34.702 -20.544 1.00 43.15 N ATOM 0 H HIS A 7 10.923 -33.782 -24.038 1.00 24.41 H new ATOM 0 HA HIS A 7 9.953 -34.884 -21.505 1.00 32.22 H new ATOM 0 HB2 HIS A 7 11.211 -32.207 -22.288 1.00 21.30 H new ATOM 0 HB3 HIS A 7 10.721 -32.607 -20.654 1.00 21.30 H new ATOM 0 HD2 HIS A 7 12.297 -34.744 -19.458 1.00 12.11 H new ATOM 0 HE1 HIS A 7 15.539 -34.179 -22.123 1.00 3.24 H new ATOM 0 HE2 HIS A 7 14.799 -35.260 -19.941 1.00 43.15 H new ATOM 117 N HIS A 8 8.143 -33.034 -20.926 1.00 32.41 N ATOM 118 CA HIS A 8 6.950 -32.200 -20.669 1.00 62.21 C ATOM 119 C HIS A 8 7.377 -31.039 -19.743 1.00 13.15 C ATOM 120 O HIS A 8 6.771 -30.783 -18.698 1.00 30.51 O ATOM 121 CB HIS A 8 5.799 -33.060 -20.055 1.00 15.34 C ATOM 122 CG HIS A 8 6.177 -33.873 -18.835 1.00 15.12 C ATOM 123 ND1 HIS A 8 6.298 -33.335 -17.569 1.00 34.43 N ATOM 124 CD2 HIS A 8 6.458 -35.189 -18.701 1.00 13.54 C ATOM 125 CE1 HIS A 8 6.638 -34.284 -16.721 1.00 51.23 C ATOM 126 NE2 HIS A 8 6.740 -35.418 -17.384 1.00 33.42 N ATOM 0 H HIS A 8 8.575 -33.383 -20.070 1.00 32.41 H new ATOM 0 HA HIS A 8 6.556 -31.788 -21.598 1.00 62.21 H new ATOM 0 HB2 HIS A 8 4.976 -32.397 -19.788 1.00 15.34 H new ATOM 0 HB3 HIS A 8 5.426 -33.739 -20.822 1.00 15.34 H new ATOM 0 HD1 HIS A 8 6.148 -32.355 -17.328 1.00 34.43 H new ATOM 0 HD2 HIS A 8 6.459 -35.925 -19.491 1.00 13.54 H new ATOM 0 HE1 HIS A 8 6.805 -34.154 -15.662 1.00 51.23 H new ATOM 135 N SER A 9 8.446 -30.345 -20.175 1.00 34.41 N ATOM 136 CA SER A 9 9.186 -29.374 -19.353 1.00 41.34 C ATOM 137 C SER A 9 8.336 -28.142 -18.969 1.00 74.04 C ATOM 138 O SER A 9 7.981 -27.323 -19.828 1.00 13.44 O ATOM 139 CB SER A 9 10.479 -28.940 -20.087 1.00 72.25 C ATOM 140 OG SER A 9 11.255 -28.041 -19.303 1.00 42.24 O ATOM 0 H SER A 9 8.824 -30.445 -21.117 1.00 34.41 H new ATOM 0 HA SER A 9 9.446 -29.872 -18.419 1.00 41.34 H new ATOM 0 HB2 SER A 9 11.075 -29.821 -20.326 1.00 72.25 H new ATOM 0 HB3 SER A 9 10.218 -28.465 -21.033 1.00 72.25 H new ATOM 0 HG SER A 9 12.063 -27.790 -19.797 1.00 42.24 H new ATOM 146 N HIS A 10 8.001 -28.048 -17.666 1.00 62.12 N ATOM 147 CA HIS A 10 7.423 -26.842 -17.053 1.00 4.21 C ATOM 148 C HIS A 10 7.807 -26.808 -15.562 1.00 3.34 C ATOM 149 O HIS A 10 7.671 -27.814 -14.856 1.00 65.41 O ATOM 150 CB HIS A 10 5.880 -26.765 -17.251 1.00 60.50 C ATOM 151 CG HIS A 10 5.082 -27.931 -16.710 1.00 54.25 C ATOM 152 ND1 HIS A 10 4.655 -28.009 -15.401 1.00 63.42 N ATOM 153 CD2 HIS A 10 4.595 -29.040 -17.318 1.00 53.13 C ATOM 154 CE1 HIS A 10 3.945 -29.106 -15.236 1.00 62.13 C ATOM 155 NE2 HIS A 10 3.895 -29.750 -16.383 1.00 32.51 N ATOM 0 H HIS A 10 8.127 -28.816 -17.007 1.00 62.12 H new ATOM 0 HA HIS A 10 7.832 -25.963 -17.551 1.00 4.21 H new ATOM 0 HB2 HIS A 10 5.518 -25.852 -16.778 1.00 60.50 H new ATOM 0 HB3 HIS A 10 5.675 -26.674 -18.318 1.00 60.50 H new ATOM 0 HD2 HIS A 10 4.735 -29.313 -18.353 1.00 53.13 H new ATOM 0 HE1 HIS A 10 3.481 -29.424 -14.314 1.00 62.13 H new ATOM 0 HE2 HIS A 10 3.413 -30.634 -16.547 1.00 32.51 H new ATOM 164 N MET A 11 8.305 -25.650 -15.099 1.00 23.13 N ATOM 165 CA MET A 11 8.835 -25.492 -13.732 1.00 44.51 C ATOM 166 C MET A 11 7.698 -25.217 -12.731 1.00 34.32 C ATOM 167 O MET A 11 6.724 -24.530 -13.059 1.00 11.11 O ATOM 168 CB MET A 11 9.910 -24.363 -13.676 1.00 14.31 C ATOM 169 CG MET A 11 9.405 -22.943 -14.015 1.00 14.23 C ATOM 170 SD MET A 11 8.902 -22.755 -15.742 1.00 21.44 S ATOM 171 CE MET A 11 10.450 -23.048 -16.606 1.00 53.23 C ATOM 0 H MET A 11 8.352 -24.799 -15.659 1.00 23.13 H new ATOM 0 HA MET A 11 9.316 -26.428 -13.448 1.00 44.51 H new ATOM 0 HB2 MET A 11 10.342 -24.346 -12.675 1.00 14.31 H new ATOM 0 HB3 MET A 11 10.715 -24.617 -14.366 1.00 14.31 H new ATOM 0 HG2 MET A 11 8.560 -22.702 -13.370 1.00 14.23 H new ATOM 0 HG3 MET A 11 10.192 -22.222 -13.793 1.00 14.23 H new ATOM 0 HE1 MET A 11 10.385 -22.645 -17.617 1.00 53.23 H new ATOM 0 HE2 MET A 11 11.264 -22.558 -16.071 1.00 53.23 H new ATOM 0 HE3 MET A 11 10.642 -24.120 -16.655 1.00 53.23 H new ATOM 181 N ALA A 12 7.836 -25.767 -11.516 1.00 12.31 N ATOM 182 CA ALA A 12 6.867 -25.584 -10.424 1.00 62.04 C ATOM 183 C ALA A 12 7.564 -24.919 -9.225 1.00 10.14 C ATOM 184 O ALA A 12 8.357 -25.565 -8.524 1.00 14.13 O ATOM 185 CB ALA A 12 6.243 -26.939 -10.039 1.00 60.34 C ATOM 0 H ALA A 12 8.629 -26.356 -11.261 1.00 12.31 H new ATOM 0 HA ALA A 12 6.059 -24.930 -10.753 1.00 62.04 H new ATOM 0 HB1 ALA A 12 5.527 -26.793 -9.230 1.00 60.34 H new ATOM 0 HB2 ALA A 12 5.732 -27.363 -10.903 1.00 60.34 H new ATOM 0 HB3 ALA A 12 7.028 -27.621 -9.711 1.00 60.34 H new ATOM 191 N GLY A 13 7.275 -23.622 -9.008 1.00 35.44 N ATOM 192 CA GLY A 13 7.907 -22.845 -7.941 1.00 61.52 C ATOM 193 C GLY A 13 7.037 -21.668 -7.496 1.00 22.21 C ATOM 194 O GLY A 13 6.889 -20.706 -8.266 1.00 15.44 O ATOM 0 H GLY A 13 6.603 -23.094 -9.565 1.00 35.44 H new ATOM 0 HA2 GLY A 13 8.103 -23.494 -7.087 1.00 61.52 H new ATOM 0 HA3 GLY A 13 8.871 -22.473 -8.286 1.00 61.52 H new ATOM 198 N PRO A 14 6.431 -21.709 -6.262 1.00 23.12 N ATOM 199 CA PRO A 14 5.611 -20.596 -5.731 1.00 31.00 C ATOM 200 C PRO A 14 6.480 -19.436 -5.200 1.00 73.40 C ATOM 201 O PRO A 14 7.636 -19.634 -4.787 1.00 5.24 O ATOM 202 CB PRO A 14 4.797 -21.270 -4.596 1.00 75.22 C ATOM 203 CG PRO A 14 5.685 -22.376 -4.092 1.00 35.33 C ATOM 204 CD PRO A 14 6.500 -22.845 -5.294 1.00 23.23 C ATOM 0 HA PRO A 14 4.983 -20.134 -6.493 1.00 31.00 H new ATOM 0 HB2 PRO A 14 4.560 -20.560 -3.803 1.00 75.22 H new ATOM 0 HB3 PRO A 14 3.850 -21.661 -4.967 1.00 75.22 H new ATOM 0 HG2 PRO A 14 6.337 -22.020 -3.294 1.00 35.33 H new ATOM 0 HG3 PRO A 14 5.094 -23.193 -3.679 1.00 35.33 H new ATOM 0 HD2 PRO A 14 7.530 -23.065 -5.013 1.00 23.23 H new ATOM 0 HD3 PRO A 14 6.085 -23.757 -5.723 1.00 23.23 H new ATOM 212 N SER A 15 5.913 -18.229 -5.223 1.00 52.30 N ATOM 213 CA SER A 15 6.578 -17.022 -4.727 1.00 44.41 C ATOM 214 C SER A 15 6.406 -16.953 -3.191 1.00 3.33 C ATOM 215 O SER A 15 5.291 -17.110 -2.682 1.00 23.33 O ATOM 216 CB SER A 15 5.989 -15.769 -5.427 1.00 74.44 C ATOM 217 OG SER A 15 6.775 -14.614 -5.195 1.00 5.14 O ATOM 0 H SER A 15 4.976 -18.060 -5.588 1.00 52.30 H new ATOM 0 HA SER A 15 7.643 -17.054 -4.956 1.00 44.41 H new ATOM 0 HB2 SER A 15 5.920 -15.951 -6.499 1.00 74.44 H new ATOM 0 HB3 SER A 15 4.975 -15.596 -5.067 1.00 74.44 H new ATOM 0 HG SER A 15 7.634 -14.876 -4.804 1.00 5.14 H new ATOM 223 N ASN A 16 7.515 -16.702 -2.469 1.00 74.02 N ATOM 224 CA ASN A 16 7.577 -16.747 -0.980 1.00 15.52 C ATOM 225 C ASN A 16 7.045 -15.448 -0.319 1.00 43.44 C ATOM 226 O ASN A 16 7.327 -15.187 0.862 1.00 23.30 O ATOM 227 CB ASN A 16 9.046 -16.994 -0.535 1.00 73.53 C ATOM 228 CG ASN A 16 9.639 -18.288 -1.088 1.00 41.22 C ATOM 229 OD1 ASN A 16 9.559 -19.336 -0.457 1.00 20.51 O ATOM 230 ND2 ASN A 16 10.229 -18.231 -2.274 1.00 54.41 N ATOM 0 H ASN A 16 8.407 -16.459 -2.900 1.00 74.02 H new ATOM 0 HA ASN A 16 6.932 -17.562 -0.651 1.00 15.52 H new ATOM 0 HB2 ASN A 16 9.661 -16.154 -0.858 1.00 73.53 H new ATOM 0 HB3 ASN A 16 9.088 -17.020 0.554 1.00 73.53 H new ATOM 0 HD21 ASN A 16 10.631 -19.074 -2.684 1.00 54.41 H new ATOM 0 HD22 ASN A 16 10.280 -17.345 -2.776 1.00 54.41 H new ATOM 237 N VAL A 17 6.280 -14.655 -1.089 1.00 41.44 N ATOM 238 CA VAL A 17 5.715 -13.366 -0.652 1.00 41.31 C ATOM 239 C VAL A 17 4.824 -13.525 0.607 1.00 44.44 C ATOM 240 O VAL A 17 3.970 -14.419 0.631 1.00 52.54 O ATOM 241 CB VAL A 17 4.887 -12.717 -1.828 1.00 55.34 C ATOM 242 CG1 VAL A 17 4.222 -11.381 -1.416 1.00 73.51 C ATOM 243 CG2 VAL A 17 5.785 -12.526 -3.072 1.00 45.33 C ATOM 0 H VAL A 17 6.033 -14.896 -2.049 1.00 41.44 H new ATOM 0 HA VAL A 17 6.544 -12.711 -0.386 1.00 41.31 H new ATOM 0 HB VAL A 17 4.078 -13.405 -2.075 1.00 55.34 H new ATOM 0 HG11 VAL A 17 3.665 -10.976 -2.261 1.00 73.51 H new ATOM 0 HG12 VAL A 17 3.542 -11.555 -0.582 1.00 73.51 H new ATOM 0 HG13 VAL A 17 4.991 -10.670 -1.114 1.00 73.51 H new ATOM 0 HG21 VAL A 17 5.202 -12.077 -3.876 1.00 45.33 H new ATOM 0 HG22 VAL A 17 6.620 -11.872 -2.821 1.00 45.33 H new ATOM 0 HG23 VAL A 17 6.167 -13.494 -3.397 1.00 45.33 H new ATOM 253 N PRO A 18 5.036 -12.674 1.675 1.00 43.13 N ATOM 254 CA PRO A 18 4.164 -12.650 2.884 1.00 44.44 C ATOM 255 C PRO A 18 2.695 -12.333 2.540 1.00 14.40 C ATOM 256 O PRO A 18 2.423 -11.651 1.540 1.00 74.42 O ATOM 257 CB PRO A 18 4.780 -11.528 3.762 1.00 55.32 C ATOM 258 CG PRO A 18 6.191 -11.392 3.280 1.00 21.20 C ATOM 259 CD PRO A 18 6.139 -11.678 1.794 1.00 33.35 C ATOM 0 HA PRO A 18 4.133 -13.619 3.382 1.00 44.44 H new ATOM 0 HB2 PRO A 18 4.232 -10.592 3.649 1.00 55.32 H new ATOM 0 HB3 PRO A 18 4.747 -11.791 4.819 1.00 55.32 H new ATOM 0 HG2 PRO A 18 6.577 -10.391 3.474 1.00 21.20 H new ATOM 0 HG3 PRO A 18 6.850 -12.093 3.792 1.00 21.20 H new ATOM 0 HD2 PRO A 18 5.931 -10.776 1.218 1.00 33.35 H new ATOM 0 HD3 PRO A 18 7.084 -12.079 1.428 1.00 33.35 H new ATOM 267 N ALA A 19 1.766 -12.832 3.384 1.00 71.21 N ATOM 268 CA ALA A 19 0.311 -12.646 3.213 1.00 71.41 C ATOM 269 C ALA A 19 -0.070 -11.162 3.069 1.00 12.10 C ATOM 270 O ALA A 19 -0.851 -10.809 2.187 1.00 21.54 O ATOM 271 CB ALA A 19 -0.458 -13.293 4.382 1.00 12.35 C ATOM 0 H ALA A 19 2.008 -13.380 4.210 1.00 71.21 H new ATOM 0 HA ALA A 19 0.027 -13.143 2.286 1.00 71.41 H new ATOM 0 HB1 ALA A 19 -1.529 -13.146 4.239 1.00 12.35 H new ATOM 0 HB2 ALA A 19 -0.240 -14.360 4.415 1.00 12.35 H new ATOM 0 HB3 ALA A 19 -0.150 -12.831 5.320 1.00 12.35 H new ATOM 277 N PHE A 20 0.495 -10.302 3.941 1.00 32.20 N ATOM 278 CA PHE A 20 0.287 -8.844 3.879 1.00 43.14 C ATOM 279 C PHE A 20 0.649 -8.265 2.490 1.00 63.23 C ATOM 280 O PHE A 20 -0.101 -7.446 1.959 1.00 22.14 O ATOM 281 CB PHE A 20 1.109 -8.127 4.990 1.00 73.31 C ATOM 282 CG PHE A 20 0.950 -6.596 4.998 1.00 33.23 C ATOM 283 CD1 PHE A 20 -0.112 -5.989 5.663 1.00 63.12 C ATOM 284 CD2 PHE A 20 1.850 -5.774 4.307 1.00 51.21 C ATOM 285 CE1 PHE A 20 -0.269 -4.615 5.641 1.00 34.33 C ATOM 286 CE2 PHE A 20 1.689 -4.410 4.284 1.00 24.03 C ATOM 287 CZ PHE A 20 0.632 -3.826 4.949 1.00 65.11 C ATOM 0 H PHE A 20 1.105 -10.598 4.703 1.00 32.20 H new ATOM 0 HA PHE A 20 -0.775 -8.662 4.046 1.00 43.14 H new ATOM 0 HB2 PHE A 20 0.806 -8.518 5.961 1.00 73.31 H new ATOM 0 HB3 PHE A 20 2.163 -8.372 4.862 1.00 73.31 H new ATOM 0 HD1 PHE A 20 -0.822 -6.598 6.203 1.00 63.12 H new ATOM 0 HD2 PHE A 20 2.683 -6.220 3.784 1.00 51.21 H new ATOM 0 HE1 PHE A 20 -1.096 -4.158 6.164 1.00 34.33 H new ATOM 0 HE2 PHE A 20 2.392 -3.794 3.744 1.00 24.03 H new ATOM 0 HZ PHE A 20 0.508 -2.753 4.930 1.00 65.11 H new ATOM 297 N LEU A 21 1.796 -8.694 1.919 1.00 10.13 N ATOM 298 CA LEU A 21 2.338 -8.089 0.682 1.00 22.25 C ATOM 299 C LEU A 21 1.648 -8.619 -0.577 1.00 61.55 C ATOM 300 O LEU A 21 1.564 -7.896 -1.572 1.00 51.31 O ATOM 301 CB LEU A 21 3.871 -8.291 0.573 1.00 25.13 C ATOM 302 CG LEU A 21 4.747 -7.489 1.578 1.00 13.31 C ATOM 303 CD1 LEU A 21 6.235 -7.773 1.334 1.00 51.33 C ATOM 304 CD2 LEU A 21 4.463 -5.969 1.507 1.00 51.34 C ATOM 0 H LEU A 21 2.363 -9.455 2.294 1.00 10.13 H new ATOM 0 HA LEU A 21 2.131 -7.021 0.751 1.00 22.25 H new ATOM 0 HB2 LEU A 21 4.086 -9.352 0.703 1.00 25.13 H new ATOM 0 HB3 LEU A 21 4.180 -8.025 -0.438 1.00 25.13 H new ATOM 0 HG LEU A 21 4.484 -7.821 2.582 1.00 13.31 H new ATOM 0 HD11 LEU A 21 6.835 -7.205 2.045 1.00 51.33 H new ATOM 0 HD12 LEU A 21 6.429 -8.838 1.465 1.00 51.33 H new ATOM 0 HD13 LEU A 21 6.500 -7.479 0.318 1.00 51.33 H new ATOM 0 HD21 LEU A 21 5.096 -5.447 2.225 1.00 51.34 H new ATOM 0 HD22 LEU A 21 4.678 -5.605 0.502 1.00 51.34 H new ATOM 0 HD23 LEU A 21 3.415 -5.783 1.744 1.00 51.34 H new ATOM 316 N THR A 22 1.187 -9.884 -0.557 1.00 44.34 N ATOM 317 CA THR A 22 0.421 -10.444 -1.684 1.00 72.20 C ATOM 318 C THR A 22 -0.976 -9.796 -1.734 1.00 4.11 C ATOM 319 O THR A 22 -1.526 -9.590 -2.818 1.00 2.54 O ATOM 320 CB THR A 22 0.327 -12.012 -1.637 1.00 3.42 C ATOM 321 OG1 THR A 22 -0.262 -12.509 -2.851 1.00 0.25 O ATOM 322 CG2 THR A 22 -0.479 -12.541 -0.442 1.00 42.15 C ATOM 0 H THR A 22 1.330 -10.531 0.219 1.00 44.34 H new ATOM 0 HA THR A 22 0.959 -10.207 -2.602 1.00 72.20 H new ATOM 0 HB THR A 22 1.350 -12.372 -1.525 1.00 3.42 H new ATOM 0 HG1 THR A 22 -0.315 -13.487 -2.813 1.00 0.25 H new ATOM 0 HG21 THR A 22 -0.503 -13.630 -0.473 1.00 42.15 H new ATOM 0 HG22 THR A 22 -0.010 -12.214 0.486 1.00 42.15 H new ATOM 0 HG23 THR A 22 -1.497 -12.154 -0.490 1.00 42.15 H new ATOM 330 N LYS A 23 -1.534 -9.459 -0.549 1.00 65.23 N ATOM 331 CA LYS A 23 -2.785 -8.697 -0.444 1.00 51.14 C ATOM 332 C LYS A 23 -2.572 -7.252 -0.894 1.00 34.12 C ATOM 333 O LYS A 23 -3.418 -6.704 -1.593 1.00 52.42 O ATOM 334 CB LYS A 23 -3.348 -8.740 1.008 1.00 12.30 C ATOM 335 CG LYS A 23 -3.821 -10.142 1.502 1.00 14.32 C ATOM 336 CD LYS A 23 -5.283 -10.503 1.117 1.00 13.13 C ATOM 337 CE LYS A 23 -5.533 -10.683 -0.393 1.00 23.31 C ATOM 338 NZ LYS A 23 -6.906 -11.164 -0.666 1.00 32.21 N ATOM 0 H LYS A 23 -1.127 -9.709 0.352 1.00 65.23 H new ATOM 0 HA LYS A 23 -3.518 -9.162 -1.103 1.00 51.14 H new ATOM 0 HB2 LYS A 23 -2.579 -8.374 1.689 1.00 12.30 H new ATOM 0 HB3 LYS A 23 -4.188 -8.048 1.074 1.00 12.30 H new ATOM 0 HG2 LYS A 23 -3.154 -10.901 1.094 1.00 14.32 H new ATOM 0 HG3 LYS A 23 -3.724 -10.182 2.587 1.00 14.32 H new ATOM 0 HD2 LYS A 23 -5.560 -11.425 1.628 1.00 13.13 H new ATOM 0 HD3 LYS A 23 -5.945 -9.721 1.489 1.00 13.13 H new ATOM 0 HE2 LYS A 23 -5.371 -9.734 -0.905 1.00 23.31 H new ATOM 0 HE3 LYS A 23 -4.811 -11.392 -0.800 1.00 23.31 H new ATOM 0 HZ1 LYS A 23 -7.038 -11.273 -1.692 1.00 32.21 H new ATOM 0 HZ2 LYS A 23 -7.052 -12.081 -0.198 1.00 32.21 H new ATOM 0 HZ3 LYS A 23 -7.594 -10.476 -0.300 1.00 32.21 H new ATOM 352 N LEU A 24 -1.438 -6.654 -0.473 1.00 54.23 N ATOM 353 CA LEU A 24 -1.042 -5.285 -0.854 1.00 23.02 C ATOM 354 C LEU A 24 -0.893 -5.147 -2.380 1.00 51.12 C ATOM 355 O LEU A 24 -1.341 -4.158 -2.945 1.00 14.51 O ATOM 356 CB LEU A 24 0.277 -4.881 -0.138 1.00 15.14 C ATOM 357 CG LEU A 24 0.808 -3.428 -0.409 1.00 0.43 C ATOM 358 CD1 LEU A 24 -0.207 -2.359 0.043 1.00 10.44 C ATOM 359 CD2 LEU A 24 2.181 -3.210 0.258 1.00 14.00 C ATOM 0 H LEU A 24 -0.768 -7.112 0.145 1.00 54.23 H new ATOM 0 HA LEU A 24 -1.834 -4.608 -0.535 1.00 23.02 H new ATOM 0 HB2 LEU A 24 0.130 -4.995 0.936 1.00 15.14 H new ATOM 0 HB3 LEU A 24 1.054 -5.588 -0.431 1.00 15.14 H new ATOM 0 HG LEU A 24 0.935 -3.320 -1.486 1.00 0.43 H new ATOM 0 HD11 LEU A 24 0.195 -1.366 -0.160 1.00 10.44 H new ATOM 0 HD12 LEU A 24 -1.141 -2.491 -0.503 1.00 10.44 H new ATOM 0 HD13 LEU A 24 -0.393 -2.463 1.112 1.00 10.44 H new ATOM 0 HD21 LEU A 24 2.527 -2.196 0.056 1.00 14.00 H new ATOM 0 HD22 LEU A 24 2.089 -3.354 1.335 1.00 14.00 H new ATOM 0 HD23 LEU A 24 2.898 -3.925 -0.144 1.00 14.00 H new ATOM 371 N TRP A 25 -0.253 -6.138 -3.038 1.00 22.45 N ATOM 372 CA TRP A 25 -0.125 -6.153 -4.504 1.00 70.31 C ATOM 373 C TRP A 25 -1.505 -6.287 -5.172 1.00 64.54 C ATOM 374 O TRP A 25 -1.850 -5.468 -6.029 1.00 14.23 O ATOM 375 CB TRP A 25 0.858 -7.257 -4.999 1.00 74.13 C ATOM 376 CG TRP A 25 0.838 -7.499 -6.509 1.00 4.44 C ATOM 377 CD1 TRP A 25 0.769 -8.713 -7.139 1.00 20.21 C ATOM 378 CD2 TRP A 25 0.838 -6.504 -7.567 1.00 71.41 C ATOM 379 NE1 TRP A 25 0.726 -8.542 -8.499 1.00 11.44 N ATOM 380 CE2 TRP A 25 0.759 -7.200 -8.786 1.00 71.53 C ATOM 381 CE3 TRP A 25 0.885 -5.095 -7.599 1.00 23.21 C ATOM 382 CZ2 TRP A 25 0.726 -6.544 -10.015 1.00 53.33 C ATOM 383 CZ3 TRP A 25 0.851 -4.449 -8.816 1.00 63.35 C ATOM 384 CH2 TRP A 25 0.766 -5.174 -10.012 1.00 74.42 C ATOM 0 H TRP A 25 0.181 -6.936 -2.574 1.00 22.45 H new ATOM 0 HA TRP A 25 0.305 -5.197 -4.802 1.00 70.31 H new ATOM 0 HB2 TRP A 25 1.870 -6.983 -4.702 1.00 74.13 H new ATOM 0 HB3 TRP A 25 0.619 -8.192 -4.492 1.00 74.13 H new ATOM 0 HD1 TRP A 25 0.751 -9.669 -6.636 1.00 20.21 H new ATOM 0 HE1 TRP A 25 0.677 -9.293 -9.188 1.00 11.44 H new ATOM 0 HE3 TRP A 25 0.947 -4.529 -6.681 1.00 23.21 H new ATOM 0 HZ2 TRP A 25 0.671 -7.098 -10.941 1.00 53.33 H new ATOM 0 HZ3 TRP A 25 0.890 -3.370 -8.848 1.00 63.35 H new ATOM 0 HH2 TRP A 25 0.731 -4.642 -10.951 1.00 74.42 H new ATOM 395 N THR A 26 -2.295 -7.292 -4.760 1.00 10.14 N ATOM 396 CA THR A 26 -3.645 -7.533 -5.317 1.00 72.41 C ATOM 397 C THR A 26 -4.576 -6.315 -5.060 1.00 54.42 C ATOM 398 O THR A 26 -5.576 -6.119 -5.748 1.00 71.20 O ATOM 399 CB THR A 26 -4.253 -8.850 -4.721 1.00 73.10 C ATOM 400 OG1 THR A 26 -3.326 -9.931 -4.914 1.00 34.32 O ATOM 401 CG2 THR A 26 -5.598 -9.241 -5.360 1.00 24.12 C ATOM 0 H THR A 26 -2.023 -7.958 -4.037 1.00 10.14 H new ATOM 0 HA THR A 26 -3.558 -7.658 -6.396 1.00 72.41 H new ATOM 0 HB THR A 26 -4.434 -8.661 -3.663 1.00 73.10 H new ATOM 0 HG1 THR A 26 -2.638 -9.900 -4.217 1.00 34.32 H new ATOM 0 HG21 THR A 26 -5.964 -10.160 -4.903 1.00 24.12 H new ATOM 0 HG22 THR A 26 -6.323 -8.443 -5.200 1.00 24.12 H new ATOM 0 HG23 THR A 26 -5.461 -9.397 -6.430 1.00 24.12 H new ATOM 409 N LEU A 27 -4.203 -5.496 -4.067 1.00 14.21 N ATOM 410 CA LEU A 27 -4.867 -4.238 -3.736 1.00 12.32 C ATOM 411 C LEU A 27 -4.487 -3.118 -4.736 1.00 51.02 C ATOM 412 O LEU A 27 -5.370 -2.497 -5.340 1.00 75.41 O ATOM 413 CB LEU A 27 -4.487 -3.880 -2.274 1.00 53.44 C ATOM 414 CG LEU A 27 -4.956 -2.515 -1.725 1.00 32.32 C ATOM 415 CD1 LEU A 27 -6.446 -2.311 -1.990 1.00 43.23 C ATOM 416 CD2 LEU A 27 -4.627 -2.381 -0.219 1.00 44.44 C ATOM 0 H LEU A 27 -3.410 -5.700 -3.459 1.00 14.21 H new ATOM 0 HA LEU A 27 -5.949 -4.344 -3.816 1.00 12.32 H new ATOM 0 HB2 LEU A 27 -4.886 -4.658 -1.623 1.00 53.44 H new ATOM 0 HB3 LEU A 27 -3.401 -3.920 -2.190 1.00 53.44 H new ATOM 0 HG LEU A 27 -4.413 -1.730 -2.251 1.00 32.32 H new ATOM 0 HD11 LEU A 27 -6.757 -1.344 -1.596 1.00 43.23 H new ATOM 0 HD12 LEU A 27 -6.632 -2.342 -3.064 1.00 43.23 H new ATOM 0 HD13 LEU A 27 -7.014 -3.102 -1.500 1.00 43.23 H new ATOM 0 HD21 LEU A 27 -4.968 -1.411 0.143 1.00 44.44 H new ATOM 0 HD22 LEU A 27 -5.131 -3.173 0.335 1.00 44.44 H new ATOM 0 HD23 LEU A 27 -3.550 -2.465 -0.073 1.00 44.44 H new ATOM 428 N VAL A 28 -3.173 -2.878 -4.898 1.00 72.13 N ATOM 429 CA VAL A 28 -2.632 -1.815 -5.780 1.00 24.13 C ATOM 430 C VAL A 28 -3.022 -2.055 -7.257 1.00 43.34 C ATOM 431 O VAL A 28 -3.310 -1.110 -7.994 1.00 71.35 O ATOM 432 CB VAL A 28 -1.057 -1.714 -5.636 1.00 12.25 C ATOM 433 CG1 VAL A 28 -0.439 -0.708 -6.634 1.00 54.00 C ATOM 434 CG2 VAL A 28 -0.653 -1.335 -4.189 1.00 63.03 C ATOM 0 H VAL A 28 -2.449 -3.416 -4.421 1.00 72.13 H new ATOM 0 HA VAL A 28 -3.073 -0.869 -5.464 1.00 24.13 H new ATOM 0 HB VAL A 28 -0.661 -2.702 -5.871 1.00 12.25 H new ATOM 0 HG11 VAL A 28 0.642 -0.675 -6.495 1.00 54.00 H new ATOM 0 HG12 VAL A 28 -0.665 -1.021 -7.653 1.00 54.00 H new ATOM 0 HG13 VAL A 28 -0.858 0.283 -6.458 1.00 54.00 H new ATOM 0 HG21 VAL A 28 0.433 -1.273 -4.119 1.00 63.03 H new ATOM 0 HG22 VAL A 28 -1.089 -0.370 -3.930 1.00 63.03 H new ATOM 0 HG23 VAL A 28 -1.018 -2.095 -3.498 1.00 63.03 H new ATOM 444 N SER A 29 -3.054 -3.336 -7.660 1.00 32.05 N ATOM 445 CA SER A 29 -3.321 -3.746 -9.051 1.00 74.14 C ATOM 446 C SER A 29 -4.818 -3.681 -9.402 1.00 20.40 C ATOM 447 O SER A 29 -5.169 -3.538 -10.581 1.00 63.22 O ATOM 448 CB SER A 29 -2.795 -5.180 -9.285 1.00 53.00 C ATOM 449 OG SER A 29 -3.337 -6.096 -8.353 1.00 42.11 O ATOM 0 H SER A 29 -2.895 -4.121 -7.028 1.00 32.05 H new ATOM 0 HA SER A 29 -2.800 -3.044 -9.702 1.00 74.14 H new ATOM 0 HB2 SER A 29 -3.046 -5.499 -10.297 1.00 53.00 H new ATOM 0 HB3 SER A 29 -1.708 -5.185 -9.210 1.00 53.00 H new ATOM 0 HG SER A 29 -2.863 -6.013 -7.499 1.00 42.11 H new ATOM 455 N ASP A 30 -5.688 -3.799 -8.377 1.00 2.13 N ATOM 456 CA ASP A 30 -7.146 -3.943 -8.565 1.00 63.34 C ATOM 457 C ASP A 30 -7.788 -2.626 -9.068 1.00 31.10 C ATOM 458 O ASP A 30 -7.668 -1.592 -8.397 1.00 10.40 O ATOM 459 CB ASP A 30 -7.801 -4.399 -7.240 1.00 55.41 C ATOM 460 CG ASP A 30 -9.321 -4.603 -7.329 1.00 14.33 C ATOM 461 OD1 ASP A 30 -9.766 -5.510 -8.072 1.00 55.32 O ATOM 462 OD2 ASP A 30 -10.081 -3.888 -6.638 1.00 11.52 O ATOM 0 H ASP A 30 -5.400 -3.797 -7.399 1.00 2.13 H new ATOM 0 HA ASP A 30 -7.319 -4.700 -9.330 1.00 63.34 H new ATOM 0 HB2 ASP A 30 -7.338 -5.333 -6.921 1.00 55.41 H new ATOM 0 HB3 ASP A 30 -7.589 -3.658 -6.469 1.00 55.41 H new ATOM 467 N PRO A 31 -8.502 -2.652 -10.247 1.00 61.13 N ATOM 468 CA PRO A 31 -9.115 -1.434 -10.852 1.00 11.14 C ATOM 469 C PRO A 31 -10.323 -0.892 -10.055 1.00 34.51 C ATOM 470 O PRO A 31 -10.771 0.233 -10.299 1.00 40.24 O ATOM 471 CB PRO A 31 -9.538 -1.926 -12.263 1.00 0.23 C ATOM 472 CG PRO A 31 -9.778 -3.400 -12.100 1.00 20.41 C ATOM 473 CD PRO A 31 -8.753 -3.866 -11.083 1.00 23.23 C ATOM 0 HA PRO A 31 -8.423 -0.592 -10.866 1.00 11.14 H new ATOM 0 HB2 PRO A 31 -10.437 -1.415 -12.607 1.00 0.23 H new ATOM 0 HB3 PRO A 31 -8.759 -1.731 -13.000 1.00 0.23 H new ATOM 0 HG2 PRO A 31 -10.793 -3.597 -11.753 1.00 20.41 H new ATOM 0 HG3 PRO A 31 -9.658 -3.925 -13.048 1.00 20.41 H new ATOM 0 HD2 PRO A 31 -9.132 -4.693 -10.483 1.00 23.23 H new ATOM 0 HD3 PRO A 31 -7.840 -4.215 -11.566 1.00 23.23 H new ATOM 481 N ASP A 32 -10.843 -1.703 -9.115 1.00 43.32 N ATOM 482 CA ASP A 32 -11.988 -1.333 -8.252 1.00 61.43 C ATOM 483 C ASP A 32 -11.508 -0.583 -6.985 1.00 74.25 C ATOM 484 O ASP A 32 -12.279 0.179 -6.382 1.00 53.20 O ATOM 485 CB ASP A 32 -12.790 -2.618 -7.904 1.00 13.43 C ATOM 486 CG ASP A 32 -13.974 -2.413 -6.944 1.00 4.13 C ATOM 487 OD1 ASP A 32 -14.954 -1.752 -7.336 1.00 41.24 O ATOM 488 OD2 ASP A 32 -13.947 -2.950 -5.812 1.00 13.21 O ATOM 0 H ASP A 32 -10.481 -2.638 -8.929 1.00 43.32 H new ATOM 0 HA ASP A 32 -12.646 -0.646 -8.785 1.00 61.43 H new ATOM 0 HB2 ASP A 32 -13.165 -3.054 -8.830 1.00 13.43 H new ATOM 0 HB3 ASP A 32 -12.107 -3.344 -7.463 1.00 13.43 H new ATOM 493 N THR A 33 -10.228 -0.775 -6.606 1.00 31.34 N ATOM 494 CA THR A 33 -9.602 -0.057 -5.468 1.00 71.44 C ATOM 495 C THR A 33 -8.537 0.949 -5.946 1.00 74.43 C ATOM 496 O THR A 33 -7.929 1.641 -5.119 1.00 20.41 O ATOM 497 CB THR A 33 -8.974 -1.047 -4.435 1.00 74.05 C ATOM 498 OG1 THR A 33 -8.132 -1.996 -5.102 1.00 30.41 O ATOM 499 CG2 THR A 33 -10.045 -1.795 -3.629 1.00 53.55 C ATOM 0 H THR A 33 -9.599 -1.427 -7.075 1.00 31.34 H new ATOM 0 HA THR A 33 -10.401 0.496 -4.973 1.00 71.44 H new ATOM 0 HB THR A 33 -8.382 -0.451 -3.740 1.00 74.05 H new ATOM 0 HG1 THR A 33 -7.197 -1.713 -5.027 1.00 30.41 H new ATOM 0 HG21 THR A 33 -9.563 -2.472 -2.924 1.00 53.55 H new ATOM 0 HG22 THR A 33 -10.657 -1.077 -3.083 1.00 53.55 H new ATOM 0 HG23 THR A 33 -10.677 -2.368 -4.308 1.00 53.55 H new ATOM 507 N ASP A 34 -8.359 1.042 -7.285 1.00 3.11 N ATOM 508 CA ASP A 34 -7.355 1.918 -7.941 1.00 51.41 C ATOM 509 C ASP A 34 -7.481 3.392 -7.492 1.00 40.13 C ATOM 510 O ASP A 34 -6.474 4.096 -7.328 1.00 51.42 O ATOM 511 CB ASP A 34 -7.506 1.805 -9.481 1.00 61.43 C ATOM 512 CG ASP A 34 -6.544 2.711 -10.272 1.00 44.43 C ATOM 513 OD1 ASP A 34 -5.421 2.276 -10.588 1.00 34.02 O ATOM 514 OD2 ASP A 34 -6.909 3.866 -10.588 1.00 70.42 O ATOM 0 H ASP A 34 -8.915 0.504 -7.950 1.00 3.11 H new ATOM 0 HA ASP A 34 -6.363 1.581 -7.639 1.00 51.41 H new ATOM 0 HB2 ASP A 34 -7.340 0.769 -9.777 1.00 61.43 H new ATOM 0 HB3 ASP A 34 -8.531 2.054 -9.755 1.00 61.43 H new ATOM 519 N ALA A 35 -8.732 3.830 -7.292 1.00 0.41 N ATOM 520 CA ALA A 35 -9.058 5.217 -6.939 1.00 71.22 C ATOM 521 C ALA A 35 -8.507 5.612 -5.555 1.00 1.01 C ATOM 522 O ALA A 35 -8.119 6.764 -5.345 1.00 72.12 O ATOM 523 CB ALA A 35 -10.571 5.415 -6.998 1.00 41.13 C ATOM 0 H ALA A 35 -9.551 3.227 -7.371 1.00 0.41 H new ATOM 0 HA ALA A 35 -8.576 5.872 -7.665 1.00 71.22 H new ATOM 0 HB1 ALA A 35 -10.814 6.445 -6.736 1.00 41.13 H new ATOM 0 HB2 ALA A 35 -10.927 5.204 -8.007 1.00 41.13 H new ATOM 0 HB3 ALA A 35 -11.054 4.738 -6.294 1.00 41.13 H new ATOM 529 N LEU A 36 -8.458 4.649 -4.618 1.00 20.20 N ATOM 530 CA LEU A 36 -8.007 4.908 -3.234 1.00 55.43 C ATOM 531 C LEU A 36 -6.579 4.391 -3.005 1.00 33.41 C ATOM 532 O LEU A 36 -5.992 4.667 -1.953 1.00 24.43 O ATOM 533 CB LEU A 36 -9.002 4.294 -2.208 1.00 41.22 C ATOM 534 CG LEU A 36 -10.449 4.895 -2.219 1.00 53.20 C ATOM 535 CD1 LEU A 36 -11.315 4.315 -1.084 1.00 34.44 C ATOM 536 CD2 LEU A 36 -10.414 6.435 -2.153 1.00 1.40 C ATOM 0 H LEU A 36 -8.726 3.680 -4.792 1.00 20.20 H new ATOM 0 HA LEU A 36 -7.989 5.987 -3.082 1.00 55.43 H new ATOM 0 HB2 LEU A 36 -9.072 3.222 -2.395 1.00 41.22 H new ATOM 0 HB3 LEU A 36 -8.585 4.416 -1.208 1.00 41.22 H new ATOM 0 HG LEU A 36 -10.911 4.608 -3.164 1.00 53.20 H new ATOM 0 HD11 LEU A 36 -12.311 4.756 -1.125 1.00 34.44 H new ATOM 0 HD12 LEU A 36 -11.392 3.234 -1.201 1.00 34.44 H new ATOM 0 HD13 LEU A 36 -10.856 4.544 -0.122 1.00 34.44 H new ATOM 0 HD21 LEU A 36 -11.433 6.823 -2.162 1.00 1.40 H new ATOM 0 HD22 LEU A 36 -9.915 6.749 -1.236 1.00 1.40 H new ATOM 0 HD23 LEU A 36 -9.870 6.824 -3.014 1.00 1.40 H new ATOM 548 N ILE A 37 -6.044 3.602 -3.964 1.00 14.55 N ATOM 549 CA ILE A 37 -4.633 3.167 -3.952 1.00 70.03 C ATOM 550 C ILE A 37 -4.211 2.673 -5.356 1.00 4.30 C ATOM 551 O ILE A 37 -4.885 1.837 -5.959 1.00 31.54 O ATOM 552 CB ILE A 37 -4.393 2.052 -2.869 1.00 30.51 C ATOM 553 CG1 ILE A 37 -2.889 1.646 -2.766 1.00 54.41 C ATOM 554 CG2 ILE A 37 -5.295 0.829 -3.125 1.00 62.12 C ATOM 555 CD1 ILE A 37 -2.575 0.688 -1.623 1.00 50.42 C ATOM 0 H ILE A 37 -6.575 3.252 -4.761 1.00 14.55 H new ATOM 0 HA ILE A 37 -4.014 4.024 -3.687 1.00 70.03 H new ATOM 0 HB ILE A 37 -4.669 2.474 -1.903 1.00 30.51 H new ATOM 0 HG12 ILE A 37 -2.584 1.185 -3.705 1.00 54.41 H new ATOM 0 HG13 ILE A 37 -2.289 2.548 -2.644 1.00 54.41 H new ATOM 0 HG21 ILE A 37 -5.109 0.073 -2.362 1.00 62.12 H new ATOM 0 HG22 ILE A 37 -6.341 1.134 -3.086 1.00 62.12 H new ATOM 0 HG23 ILE A 37 -5.074 0.414 -4.108 1.00 62.12 H new ATOM 0 HD11 ILE A 37 -1.510 0.458 -1.624 1.00 50.42 H new ATOM 0 HD12 ILE A 37 -2.845 1.152 -0.675 1.00 50.42 H new ATOM 0 HD13 ILE A 37 -3.145 -0.232 -1.752 1.00 50.42 H new ATOM 567 N CYS A 38 -3.098 3.201 -5.871 1.00 32.20 N ATOM 568 CA CYS A 38 -2.574 2.843 -7.207 1.00 33.22 C ATOM 569 C CYS A 38 -1.064 3.065 -7.254 1.00 71.21 C ATOM 570 O CYS A 38 -0.532 3.851 -6.476 1.00 21.21 O ATOM 571 CB CYS A 38 -3.276 3.682 -8.295 1.00 32.11 C ATOM 572 SG CYS A 38 -3.195 5.468 -8.013 1.00 42.02 S ATOM 0 H CYS A 38 -2.529 3.890 -5.379 1.00 32.20 H new ATOM 0 HA CYS A 38 -2.777 1.789 -7.396 1.00 33.22 H new ATOM 0 HB2 CYS A 38 -2.825 3.456 -9.261 1.00 32.11 H new ATOM 0 HB3 CYS A 38 -4.322 3.381 -8.353 1.00 32.11 H new ATOM 0 HG CYS A 38 -3.809 6.088 -8.977 1.00 42.02 H new ATOM 578 N TRP A 39 -0.383 2.376 -8.188 1.00 30.22 N ATOM 579 CA TRP A 39 1.079 2.508 -8.381 1.00 74.23 C ATOM 580 C TRP A 39 1.405 3.856 -9.060 1.00 14.03 C ATOM 581 O TRP A 39 0.596 4.383 -9.838 1.00 53.23 O ATOM 582 CB TRP A 39 1.666 1.300 -9.188 1.00 30.42 C ATOM 583 CG TRP A 39 0.868 0.904 -10.418 1.00 3.35 C ATOM 584 CD1 TRP A 39 -0.129 -0.034 -10.479 1.00 74.20 C ATOM 585 CD2 TRP A 39 0.999 1.426 -11.755 1.00 1.15 C ATOM 586 NE1 TRP A 39 -0.623 -0.113 -11.754 1.00 2.41 N ATOM 587 CE2 TRP A 39 0.051 0.768 -12.554 1.00 11.51 C ATOM 588 CE3 TRP A 39 1.827 2.383 -12.349 1.00 40.32 C ATOM 589 CZ2 TRP A 39 -0.100 1.040 -13.911 1.00 62.55 C ATOM 590 CZ3 TRP A 39 1.681 2.653 -13.696 1.00 52.13 C ATOM 591 CH2 TRP A 39 0.723 1.982 -14.466 1.00 70.41 C ATOM 0 H TRP A 39 -0.824 1.715 -8.828 1.00 30.22 H new ATOM 0 HA TRP A 39 1.556 2.493 -7.401 1.00 74.23 H new ATOM 0 HB2 TRP A 39 2.682 1.547 -9.496 1.00 30.42 H new ATOM 0 HB3 TRP A 39 1.735 0.438 -8.525 1.00 30.42 H new ATOM 0 HD1 TRP A 39 -0.475 -0.625 -9.644 1.00 74.20 H new ATOM 0 HE1 TRP A 39 -1.375 -0.731 -12.059 1.00 2.41 H new ATOM 0 HE3 TRP A 39 2.570 2.904 -11.763 1.00 40.32 H new ATOM 0 HZ2 TRP A 39 -0.841 0.525 -14.505 1.00 62.55 H new ATOM 0 HZ3 TRP A 39 2.315 3.393 -14.162 1.00 52.13 H new ATOM 0 HH2 TRP A 39 0.632 2.212 -15.517 1.00 70.41 H new ATOM 602 N SER A 40 2.588 4.405 -8.742 1.00 75.51 N ATOM 603 CA SER A 40 3.084 5.668 -9.308 1.00 73.41 C ATOM 604 C SER A 40 3.447 5.476 -10.797 1.00 72.31 C ATOM 605 O SER A 40 3.931 4.403 -11.158 1.00 30.04 O ATOM 606 CB SER A 40 4.333 6.129 -8.512 1.00 1.20 C ATOM 607 OG SER A 40 4.059 6.215 -7.126 1.00 71.01 O ATOM 0 H SER A 40 3.234 3.979 -8.077 1.00 75.51 H new ATOM 0 HA SER A 40 2.306 6.428 -9.235 1.00 73.41 H new ATOM 0 HB2 SER A 40 5.152 5.430 -8.680 1.00 1.20 H new ATOM 0 HB3 SER A 40 4.663 7.100 -8.880 1.00 1.20 H new ATOM 0 HG SER A 40 4.879 6.038 -6.619 1.00 71.01 H new ATOM 613 N PRO A 41 3.205 6.493 -11.687 1.00 52.24 N ATOM 614 CA PRO A 41 3.612 6.426 -13.124 1.00 45.15 C ATOM 615 C PRO A 41 5.128 6.149 -13.327 1.00 33.43 C ATOM 616 O PRO A 41 5.519 5.495 -14.302 1.00 41.11 O ATOM 617 CB PRO A 41 3.207 7.818 -13.667 1.00 65.13 C ATOM 618 CG PRO A 41 2.078 8.250 -12.774 1.00 1.22 C ATOM 619 CD PRO A 41 2.457 7.752 -11.394 1.00 75.00 C ATOM 0 HA PRO A 41 3.134 5.596 -13.644 1.00 45.15 H new ATOM 0 HB2 PRO A 41 4.040 8.520 -13.623 1.00 65.13 H new ATOM 0 HB3 PRO A 41 2.891 7.762 -14.709 1.00 65.13 H new ATOM 0 HG2 PRO A 41 1.959 9.333 -12.784 1.00 1.22 H new ATOM 0 HG3 PRO A 41 1.130 7.823 -13.101 1.00 1.22 H new ATOM 0 HD2 PRO A 41 3.075 8.474 -10.860 1.00 75.00 H new ATOM 0 HD3 PRO A 41 1.578 7.565 -10.776 1.00 75.00 H new ATOM 627 N SER A 42 5.967 6.651 -12.391 1.00 64.41 N ATOM 628 CA SER A 42 7.426 6.360 -12.364 1.00 3.24 C ATOM 629 C SER A 42 7.710 4.881 -11.979 1.00 73.31 C ATOM 630 O SER A 42 8.806 4.363 -12.225 1.00 5.53 O ATOM 631 CB SER A 42 8.144 7.323 -11.389 1.00 54.53 C ATOM 632 OG SER A 42 7.923 8.679 -11.753 1.00 4.31 O ATOM 0 H SER A 42 5.658 7.265 -11.637 1.00 64.41 H new ATOM 0 HA SER A 42 7.816 6.516 -13.370 1.00 3.24 H new ATOM 0 HB2 SER A 42 7.785 7.153 -10.374 1.00 54.53 H new ATOM 0 HB3 SER A 42 9.214 7.113 -11.388 1.00 54.53 H new ATOM 0 HG SER A 42 8.386 9.267 -11.120 1.00 4.31 H new ATOM 638 N GLY A 43 6.707 4.244 -11.351 1.00 13.13 N ATOM 639 CA GLY A 43 6.697 2.805 -11.067 1.00 35.21 C ATOM 640 C GLY A 43 7.623 2.348 -9.945 1.00 41.24 C ATOM 641 O GLY A 43 7.782 1.154 -9.747 1.00 15.23 O ATOM 0 H GLY A 43 5.869 4.725 -11.023 1.00 13.13 H new ATOM 0 HA2 GLY A 43 5.678 2.510 -10.816 1.00 35.21 H new ATOM 0 HA3 GLY A 43 6.968 2.271 -11.978 1.00 35.21 H new ATOM 645 N ASN A 44 8.261 3.287 -9.230 1.00 12.14 N ATOM 646 CA ASN A 44 9.188 2.954 -8.112 1.00 70.44 C ATOM 647 C ASN A 44 8.451 2.819 -6.761 1.00 70.22 C ATOM 648 O ASN A 44 9.061 2.416 -5.759 1.00 60.44 O ATOM 649 CB ASN A 44 10.301 4.035 -8.016 1.00 74.21 C ATOM 650 CG ASN A 44 11.072 4.230 -9.328 1.00 35.13 C ATOM 651 OD1 ASN A 44 11.258 3.292 -10.106 1.00 13.42 O ATOM 652 ND2 ASN A 44 11.510 5.453 -9.591 1.00 14.33 N ATOM 0 H ASN A 44 8.159 4.288 -9.398 1.00 12.14 H new ATOM 0 HA ASN A 44 9.635 1.984 -8.329 1.00 70.44 H new ATOM 0 HB2 ASN A 44 9.852 4.984 -7.722 1.00 74.21 H new ATOM 0 HB3 ASN A 44 11.002 3.756 -7.229 1.00 74.21 H new ATOM 0 HD21 ASN A 44 12.016 5.638 -10.457 1.00 14.33 H new ATOM 0 HD22 ASN A 44 11.341 6.209 -8.928 1.00 14.33 H new ATOM 659 N SER A 45 7.142 3.126 -6.746 1.00 64.42 N ATOM 660 CA SER A 45 6.357 3.251 -5.504 1.00 42.20 C ATOM 661 C SER A 45 4.844 3.198 -5.806 1.00 35.20 C ATOM 662 O SER A 45 4.447 2.889 -6.938 1.00 51.12 O ATOM 663 CB SER A 45 6.741 4.581 -4.824 1.00 3.31 C ATOM 664 OG SER A 45 6.625 5.663 -5.725 1.00 54.24 O ATOM 0 H SER A 45 6.599 3.294 -7.593 1.00 64.42 H new ATOM 0 HA SER A 45 6.579 2.419 -4.836 1.00 42.20 H new ATOM 0 HB2 SER A 45 6.097 4.751 -3.961 1.00 3.31 H new ATOM 0 HB3 SER A 45 7.764 4.521 -4.452 1.00 3.31 H new ATOM 0 HG SER A 45 7.286 6.350 -5.498 1.00 54.24 H new ATOM 670 N PHE A 46 4.007 3.475 -4.780 1.00 43.32 N ATOM 671 CA PHE A 46 2.537 3.565 -4.929 1.00 33.35 C ATOM 672 C PHE A 46 1.953 4.647 -3.998 1.00 73.51 C ATOM 673 O PHE A 46 2.474 4.889 -2.914 1.00 23.40 O ATOM 674 CB PHE A 46 1.861 2.181 -4.670 1.00 53.52 C ATOM 675 CG PHE A 46 1.990 1.626 -3.243 1.00 10.32 C ATOM 676 CD1 PHE A 46 3.127 0.922 -2.847 1.00 72.41 C ATOM 677 CD2 PHE A 46 0.965 1.797 -2.306 1.00 70.43 C ATOM 678 CE1 PHE A 46 3.236 0.410 -1.571 1.00 40.30 C ATOM 679 CE2 PHE A 46 1.077 1.282 -1.031 1.00 22.23 C ATOM 680 CZ PHE A 46 2.212 0.589 -0.662 1.00 4.33 C ATOM 0 H PHE A 46 4.331 3.642 -3.827 1.00 43.32 H new ATOM 0 HA PHE A 46 2.322 3.855 -5.958 1.00 33.35 H new ATOM 0 HB2 PHE A 46 0.801 2.265 -4.912 1.00 53.52 H new ATOM 0 HB3 PHE A 46 2.289 1.455 -5.361 1.00 53.52 H new ATOM 0 HD1 PHE A 46 3.934 0.776 -3.550 1.00 72.41 H new ATOM 0 HD2 PHE A 46 0.074 2.340 -2.585 1.00 70.43 H new ATOM 0 HE1 PHE A 46 4.124 -0.132 -1.282 1.00 40.30 H new ATOM 0 HE2 PHE A 46 0.275 1.421 -0.321 1.00 22.23 H new ATOM 0 HZ PHE A 46 2.299 0.187 0.337 1.00 4.33 H new ATOM 690 N HIS A 47 0.854 5.274 -4.447 1.00 60.54 N ATOM 691 CA HIS A 47 0.118 6.315 -3.700 1.00 71.31 C ATOM 692 C HIS A 47 -1.112 5.707 -3.020 1.00 70.10 C ATOM 693 O HIS A 47 -1.686 4.731 -3.514 1.00 34.35 O ATOM 694 CB HIS A 47 -0.343 7.460 -4.642 1.00 34.34 C ATOM 695 CG HIS A 47 0.765 8.301 -5.196 1.00 71.40 C ATOM 696 ND1 HIS A 47 0.860 9.651 -4.973 1.00 11.41 N ATOM 697 CD2 HIS A 47 1.814 7.982 -5.979 1.00 23.14 C ATOM 698 CE1 HIS A 47 1.915 10.124 -5.589 1.00 24.10 C ATOM 699 NE2 HIS A 47 2.515 9.130 -6.209 1.00 53.22 N ATOM 0 H HIS A 47 0.441 5.070 -5.357 1.00 60.54 H new ATOM 0 HA HIS A 47 0.794 6.724 -2.949 1.00 71.31 H new ATOM 0 HB2 HIS A 47 -0.901 7.026 -5.472 1.00 34.34 H new ATOM 0 HB3 HIS A 47 -1.032 8.105 -4.097 1.00 34.34 H new ATOM 0 HD2 HIS A 47 2.056 6.999 -6.355 1.00 23.14 H new ATOM 0 HE1 HIS A 47 2.238 11.155 -5.588 1.00 24.10 H new ATOM 0 HE2 HIS A 47 3.364 9.205 -6.769 1.00 53.22 H new ATOM 708 N VAL A 48 -1.502 6.309 -1.885 1.00 44.12 N ATOM 709 CA VAL A 48 -2.738 5.990 -1.158 1.00 1.44 C ATOM 710 C VAL A 48 -3.555 7.290 -1.017 1.00 43.23 C ATOM 711 O VAL A 48 -3.060 8.286 -0.478 1.00 60.34 O ATOM 712 CB VAL A 48 -2.460 5.373 0.269 1.00 61.33 C ATOM 713 CG1 VAL A 48 -3.786 5.034 1.000 1.00 1.14 C ATOM 714 CG2 VAL A 48 -1.556 4.120 0.165 1.00 32.54 C ATOM 0 H VAL A 48 -0.955 7.046 -1.439 1.00 44.12 H new ATOM 0 HA VAL A 48 -3.287 5.236 -1.721 1.00 1.44 H new ATOM 0 HB VAL A 48 -1.933 6.124 0.858 1.00 61.33 H new ATOM 0 HG11 VAL A 48 -3.564 4.611 1.980 1.00 1.14 H new ATOM 0 HG12 VAL A 48 -4.376 5.942 1.122 1.00 1.14 H new ATOM 0 HG13 VAL A 48 -4.351 4.311 0.412 1.00 1.14 H new ATOM 0 HG21 VAL A 48 -1.380 3.715 1.161 1.00 32.54 H new ATOM 0 HG22 VAL A 48 -2.047 3.367 -0.451 1.00 32.54 H new ATOM 0 HG23 VAL A 48 -0.604 4.395 -0.288 1.00 32.54 H new ATOM 724 N PHE A 49 -4.796 7.261 -1.515 1.00 44.44 N ATOM 725 CA PHE A 49 -5.719 8.406 -1.506 1.00 64.42 C ATOM 726 C PHE A 49 -6.803 8.197 -0.447 1.00 14.41 C ATOM 727 O PHE A 49 -7.216 7.052 -0.214 1.00 25.01 O ATOM 728 CB PHE A 49 -6.385 8.554 -2.898 1.00 11.51 C ATOM 729 CG PHE A 49 -5.435 9.041 -3.976 1.00 54.30 C ATOM 730 CD1 PHE A 49 -4.632 8.154 -4.698 1.00 5.44 C ATOM 731 CD2 PHE A 49 -5.336 10.398 -4.259 1.00 13.21 C ATOM 732 CE1 PHE A 49 -3.763 8.624 -5.665 1.00 43.41 C ATOM 733 CE2 PHE A 49 -4.478 10.861 -5.218 1.00 52.02 C ATOM 734 CZ PHE A 49 -3.688 9.982 -5.923 1.00 62.52 C ATOM 0 H PHE A 49 -5.196 6.427 -1.944 1.00 44.44 H new ATOM 0 HA PHE A 49 -5.156 9.310 -1.272 1.00 64.42 H new ATOM 0 HB2 PHE A 49 -6.799 7.591 -3.198 1.00 11.51 H new ATOM 0 HB3 PHE A 49 -7.220 9.250 -2.820 1.00 11.51 H new ATOM 0 HD1 PHE A 49 -4.691 7.094 -4.499 1.00 5.44 H new ATOM 0 HD2 PHE A 49 -5.948 11.100 -3.712 1.00 13.21 H new ATOM 0 HE1 PHE A 49 -3.144 7.933 -6.218 1.00 43.41 H new ATOM 0 HE2 PHE A 49 -4.420 11.920 -5.423 1.00 52.02 H new ATOM 0 HZ PHE A 49 -3.009 10.352 -6.678 1.00 62.52 H new ATOM 744 N ASP A 50 -7.263 9.329 0.154 1.00 54.41 N ATOM 745 CA ASP A 50 -8.416 9.388 1.090 1.00 2.43 C ATOM 746 C ASP A 50 -8.305 8.314 2.172 1.00 31.11 C ATOM 747 O ASP A 50 -9.169 7.453 2.289 1.00 51.23 O ATOM 748 CB ASP A 50 -9.755 9.271 0.304 1.00 13.34 C ATOM 749 CG ASP A 50 -9.962 10.438 -0.661 1.00 63.22 C ATOM 750 OD1 ASP A 50 -9.502 10.359 -1.819 1.00 51.03 O ATOM 751 OD2 ASP A 50 -10.563 11.457 -0.259 1.00 30.42 O ATOM 0 H ASP A 50 -6.834 10.241 -0.003 1.00 54.41 H new ATOM 0 HA ASP A 50 -8.402 10.354 1.594 1.00 2.43 H new ATOM 0 HB2 ASP A 50 -9.766 8.334 -0.253 1.00 13.34 H new ATOM 0 HB3 ASP A 50 -10.586 9.233 1.009 1.00 13.34 H new ATOM 756 N GLN A 51 -7.213 8.388 2.941 1.00 31.43 N ATOM 757 CA GLN A 51 -6.798 7.336 3.897 1.00 4.52 C ATOM 758 C GLN A 51 -7.893 6.955 4.918 1.00 25.54 C ATOM 759 O GLN A 51 -7.886 5.833 5.427 1.00 33.41 O ATOM 760 CB GLN A 51 -5.493 7.758 4.621 1.00 31.53 C ATOM 761 CG GLN A 51 -4.274 7.911 3.680 1.00 71.25 C ATOM 762 CD GLN A 51 -2.943 8.034 4.424 1.00 3.12 C ATOM 763 OE1 GLN A 51 -2.878 8.568 5.532 1.00 55.12 O ATOM 764 NE2 GLN A 51 -1.876 7.522 3.835 1.00 33.40 N ATOM 0 H GLN A 51 -6.580 9.187 2.922 1.00 31.43 H new ATOM 0 HA GLN A 51 -6.618 6.437 3.308 1.00 4.52 H new ATOM 0 HB2 GLN A 51 -5.664 8.704 5.135 1.00 31.53 H new ATOM 0 HB3 GLN A 51 -5.258 7.018 5.386 1.00 31.53 H new ATOM 0 HG2 GLN A 51 -4.230 7.051 3.012 1.00 71.25 H new ATOM 0 HG3 GLN A 51 -4.415 8.793 3.055 1.00 71.25 H new ATOM 0 HE21 GLN A 51 -1.960 7.086 2.917 1.00 33.40 H new ATOM 0 HE22 GLN A 51 -0.968 7.563 4.299 1.00 33.40 H new ATOM 773 N GLY A 52 -8.818 7.894 5.211 1.00 71.34 N ATOM 774 CA GLY A 52 -9.976 7.604 6.059 1.00 12.11 C ATOM 775 C GLY A 52 -10.975 6.659 5.389 1.00 14.34 C ATOM 776 O GLY A 52 -11.370 5.644 5.979 1.00 75.21 O ATOM 0 H GLY A 52 -8.779 8.855 4.870 1.00 71.34 H new ATOM 0 HA2 GLY A 52 -9.634 7.161 6.995 1.00 12.11 H new ATOM 0 HA3 GLY A 52 -10.479 8.537 6.313 1.00 12.11 H new ATOM 780 N GLN A 53 -11.356 6.987 4.139 1.00 70.43 N ATOM 781 CA GLN A 53 -12.330 6.200 3.350 1.00 21.30 C ATOM 782 C GLN A 53 -11.733 4.834 2.978 1.00 12.33 C ATOM 783 O GLN A 53 -12.419 3.812 3.009 1.00 11.05 O ATOM 784 CB GLN A 53 -12.725 6.981 2.064 1.00 40.01 C ATOM 785 CG GLN A 53 -13.834 6.321 1.207 1.00 52.44 C ATOM 786 CD GLN A 53 -15.174 6.167 1.939 1.00 55.24 C ATOM 787 OE1 GLN A 53 -15.527 6.964 2.809 1.00 40.42 O ATOM 788 NE2 GLN A 53 -15.925 5.139 1.587 1.00 4.05 N ATOM 0 H GLN A 53 -10.998 7.805 3.646 1.00 70.43 H new ATOM 0 HA GLN A 53 -13.223 6.037 3.953 1.00 21.30 H new ATOM 0 HB2 GLN A 53 -13.056 7.979 2.351 1.00 40.01 H new ATOM 0 HB3 GLN A 53 -11.836 7.105 1.446 1.00 40.01 H new ATOM 0 HG2 GLN A 53 -13.988 6.917 0.308 1.00 52.44 H new ATOM 0 HG3 GLN A 53 -13.493 5.338 0.883 1.00 52.44 H new ATOM 0 HE21 GLN A 53 -15.604 4.497 0.862 1.00 4.05 H new ATOM 0 HE22 GLN A 53 -16.826 4.987 2.040 1.00 4.05 H new ATOM 797 N PHE A 54 -10.442 4.862 2.626 1.00 34.55 N ATOM 798 CA PHE A 54 -9.628 3.683 2.308 1.00 14.33 C ATOM 799 C PHE A 54 -9.609 2.705 3.494 1.00 63.23 C ATOM 800 O PHE A 54 -9.828 1.506 3.332 1.00 32.41 O ATOM 801 CB PHE A 54 -8.193 4.168 1.928 1.00 53.43 C ATOM 802 CG PHE A 54 -7.122 3.078 1.781 1.00 63.14 C ATOM 803 CD1 PHE A 54 -6.885 2.461 0.555 1.00 5.32 C ATOM 804 CD2 PHE A 54 -6.340 2.683 2.875 1.00 35.42 C ATOM 805 CE1 PHE A 54 -5.913 1.487 0.433 1.00 2.33 C ATOM 806 CE2 PHE A 54 -5.373 1.714 2.743 1.00 73.44 C ATOM 807 CZ PHE A 54 -5.158 1.115 1.524 1.00 62.21 C ATOM 0 H PHE A 54 -9.918 5.734 2.552 1.00 34.55 H new ATOM 0 HA PHE A 54 -10.055 3.141 1.464 1.00 14.33 H new ATOM 0 HB2 PHE A 54 -8.255 4.715 0.987 1.00 53.43 H new ATOM 0 HB3 PHE A 54 -7.859 4.875 2.687 1.00 53.43 H new ATOM 0 HD1 PHE A 54 -7.467 2.747 -0.309 1.00 5.32 H new ATOM 0 HD2 PHE A 54 -6.499 3.147 3.837 1.00 35.42 H new ATOM 0 HE1 PHE A 54 -5.744 1.014 -0.523 1.00 2.33 H new ATOM 0 HE2 PHE A 54 -4.781 1.423 3.598 1.00 73.44 H new ATOM 0 HZ PHE A 54 -4.398 0.354 1.422 1.00 62.21 H new ATOM 817 N ALA A 55 -9.350 3.235 4.690 1.00 20.24 N ATOM 818 CA ALA A 55 -9.343 2.429 5.921 1.00 71.21 C ATOM 819 C ALA A 55 -10.721 1.793 6.187 1.00 10.31 C ATOM 820 O ALA A 55 -10.812 0.648 6.636 1.00 43.22 O ATOM 821 CB ALA A 55 -8.898 3.289 7.113 1.00 24.14 C ATOM 0 H ALA A 55 -9.141 4.222 4.837 1.00 20.24 H new ATOM 0 HA ALA A 55 -8.630 1.615 5.790 1.00 71.21 H new ATOM 0 HB1 ALA A 55 -8.896 2.683 8.019 1.00 24.14 H new ATOM 0 HB2 ALA A 55 -7.894 3.672 6.931 1.00 24.14 H new ATOM 0 HB3 ALA A 55 -9.588 4.124 7.237 1.00 24.14 H new ATOM 827 N LYS A 56 -11.773 2.550 5.862 1.00 45.31 N ATOM 828 CA LYS A 56 -13.166 2.172 6.104 1.00 60.30 C ATOM 829 C LYS A 56 -13.631 0.987 5.227 1.00 63.14 C ATOM 830 O LYS A 56 -14.156 0.010 5.756 1.00 4.10 O ATOM 831 CB LYS A 56 -14.051 3.440 5.905 1.00 62.30 C ATOM 832 CG LYS A 56 -15.586 3.209 5.900 1.00 73.13 C ATOM 833 CD LYS A 56 -16.189 3.180 4.473 1.00 72.34 C ATOM 834 CE LYS A 56 -17.686 2.825 4.476 1.00 40.43 C ATOM 835 NZ LYS A 56 -18.518 3.863 5.151 1.00 42.54 N ATOM 0 H LYS A 56 -11.677 3.461 5.414 1.00 45.31 H new ATOM 0 HA LYS A 56 -13.265 1.809 7.127 1.00 60.30 H new ATOM 0 HB2 LYS A 56 -13.814 4.151 6.696 1.00 62.30 H new ATOM 0 HB3 LYS A 56 -13.772 3.908 4.961 1.00 62.30 H new ATOM 0 HG2 LYS A 56 -15.808 2.267 6.401 1.00 73.13 H new ATOM 0 HG3 LYS A 56 -16.069 3.998 6.476 1.00 73.13 H new ATOM 0 HD2 LYS A 56 -16.050 4.154 4.003 1.00 72.34 H new ATOM 0 HD3 LYS A 56 -15.647 2.454 3.867 1.00 72.34 H new ATOM 0 HE2 LYS A 56 -18.029 2.701 3.449 1.00 40.43 H new ATOM 0 HE3 LYS A 56 -17.828 1.868 4.977 1.00 40.43 H new ATOM 0 HZ1 LYS A 56 -19.518 3.577 5.126 1.00 42.54 H new ATOM 0 HZ2 LYS A 56 -18.211 3.965 6.140 1.00 42.54 H new ATOM 0 HZ3 LYS A 56 -18.406 4.772 4.658 1.00 42.54 H new ATOM 849 N GLU A 57 -13.473 1.088 3.895 1.00 12.32 N ATOM 850 CA GLU A 57 -14.024 0.074 2.952 1.00 3.54 C ATOM 851 C GLU A 57 -12.961 -0.927 2.460 1.00 13.12 C ATOM 852 O GLU A 57 -13.246 -2.123 2.323 1.00 33.23 O ATOM 853 CB GLU A 57 -14.708 0.765 1.739 1.00 61.42 C ATOM 854 CG GLU A 57 -13.811 1.758 0.962 1.00 22.24 C ATOM 855 CD GLU A 57 -14.371 2.138 -0.418 1.00 3.24 C ATOM 856 OE1 GLU A 57 -15.246 3.023 -0.494 1.00 44.22 O ATOM 857 OE2 GLU A 57 -13.962 1.534 -1.433 1.00 22.13 O ATOM 0 H GLU A 57 -12.973 1.853 3.441 1.00 12.32 H new ATOM 0 HA GLU A 57 -14.766 -0.495 3.511 1.00 3.54 H new ATOM 0 HB2 GLU A 57 -15.055 -0.005 1.049 1.00 61.42 H new ATOM 0 HB3 GLU A 57 -15.591 1.297 2.093 1.00 61.42 H new ATOM 0 HG2 GLU A 57 -13.685 2.663 1.556 1.00 22.24 H new ATOM 0 HG3 GLU A 57 -12.821 1.319 0.836 1.00 22.24 H new ATOM 864 N VAL A 58 -11.739 -0.445 2.218 1.00 53.42 N ATOM 865 CA VAL A 58 -10.702 -1.207 1.497 1.00 35.22 C ATOM 866 C VAL A 58 -9.965 -2.201 2.418 1.00 52.11 C ATOM 867 O VAL A 58 -9.721 -3.358 2.031 1.00 71.24 O ATOM 868 CB VAL A 58 -9.685 -0.219 0.831 1.00 33.20 C ATOM 869 CG1 VAL A 58 -8.491 -0.960 0.233 1.00 0.43 C ATOM 870 CG2 VAL A 58 -10.378 0.668 -0.236 1.00 62.50 C ATOM 0 H VAL A 58 -11.436 0.483 2.514 1.00 53.42 H new ATOM 0 HA VAL A 58 -11.198 -1.795 0.725 1.00 35.22 H new ATOM 0 HB VAL A 58 -9.307 0.435 1.617 1.00 33.20 H new ATOM 0 HG11 VAL A 58 -7.807 -0.242 -0.220 1.00 0.43 H new ATOM 0 HG12 VAL A 58 -7.973 -1.509 1.019 1.00 0.43 H new ATOM 0 HG13 VAL A 58 -8.840 -1.658 -0.528 1.00 0.43 H new ATOM 0 HG21 VAL A 58 -9.646 1.343 -0.680 1.00 62.50 H new ATOM 0 HG22 VAL A 58 -10.806 0.035 -1.013 1.00 62.50 H new ATOM 0 HG23 VAL A 58 -11.170 1.251 0.234 1.00 62.50 H new ATOM 880 N LEU A 59 -9.594 -1.745 3.626 1.00 61.04 N ATOM 881 CA LEU A 59 -8.855 -2.588 4.580 1.00 13.51 C ATOM 882 C LEU A 59 -9.676 -3.830 5.047 1.00 65.41 C ATOM 883 O LEU A 59 -9.104 -4.903 5.095 1.00 73.21 O ATOM 884 CB LEU A 59 -8.316 -1.775 5.785 1.00 3.22 C ATOM 885 CG LEU A 59 -7.192 -0.741 5.474 1.00 4.15 C ATOM 886 CD1 LEU A 59 -6.664 -0.101 6.768 1.00 64.32 C ATOM 887 CD2 LEU A 59 -6.042 -1.377 4.659 1.00 33.41 C ATOM 0 H LEU A 59 -9.792 -0.803 3.963 1.00 61.04 H new ATOM 0 HA LEU A 59 -7.991 -2.970 4.036 1.00 13.51 H new ATOM 0 HB2 LEU A 59 -9.152 -1.245 6.241 1.00 3.22 H new ATOM 0 HB3 LEU A 59 -7.939 -2.476 6.530 1.00 3.22 H new ATOM 0 HG LEU A 59 -7.629 0.046 4.859 1.00 4.15 H new ATOM 0 HD11 LEU A 59 -5.881 0.617 6.525 1.00 64.32 H new ATOM 0 HD12 LEU A 59 -7.479 0.411 7.280 1.00 64.32 H new ATOM 0 HD13 LEU A 59 -6.257 -0.876 7.418 1.00 64.32 H new ATOM 0 HD21 LEU A 59 -5.277 -0.626 4.461 1.00 33.41 H new ATOM 0 HD22 LEU A 59 -5.605 -2.199 5.226 1.00 33.41 H new ATOM 0 HD23 LEU A 59 -6.432 -1.755 3.714 1.00 33.41 H new ATOM 899 N PRO A 60 -11.007 -3.733 5.422 1.00 31.44 N ATOM 900 CA PRO A 60 -11.828 -4.948 5.724 1.00 25.44 C ATOM 901 C PRO A 60 -12.108 -5.828 4.473 1.00 22.25 C ATOM 902 O PRO A 60 -12.512 -6.989 4.604 1.00 13.51 O ATOM 903 CB PRO A 60 -13.137 -4.358 6.319 1.00 75.51 C ATOM 904 CG PRO A 60 -13.214 -2.963 5.767 1.00 72.44 C ATOM 905 CD PRO A 60 -11.782 -2.483 5.668 1.00 34.30 C ATOM 0 HA PRO A 60 -11.312 -5.628 6.402 1.00 25.44 H new ATOM 0 HB2 PRO A 60 -14.006 -4.948 6.026 1.00 75.51 H new ATOM 0 HB3 PRO A 60 -13.109 -4.351 7.409 1.00 75.51 H new ATOM 0 HG2 PRO A 60 -13.698 -2.954 4.791 1.00 72.44 H new ATOM 0 HG3 PRO A 60 -13.800 -2.315 6.419 1.00 72.44 H new ATOM 0 HD2 PRO A 60 -11.655 -1.767 4.856 1.00 34.30 H new ATOM 0 HD3 PRO A 60 -11.462 -1.987 6.584 1.00 34.30 H new ATOM 913 N LYS A 61 -11.903 -5.253 3.271 1.00 2.11 N ATOM 914 CA LYS A 61 -12.080 -5.963 1.988 1.00 73.20 C ATOM 915 C LYS A 61 -10.931 -6.975 1.748 1.00 23.21 C ATOM 916 O LYS A 61 -11.177 -8.133 1.393 1.00 61.21 O ATOM 917 CB LYS A 61 -12.179 -4.919 0.837 1.00 11.12 C ATOM 918 CG LYS A 61 -12.468 -5.478 -0.574 1.00 60.10 C ATOM 919 CD LYS A 61 -12.632 -4.348 -1.625 1.00 43.30 C ATOM 920 CE LYS A 61 -12.906 -4.878 -3.047 1.00 33.33 C ATOM 921 NZ LYS A 61 -11.760 -5.659 -3.600 1.00 12.31 N ATOM 0 H LYS A 61 -11.610 -4.282 3.162 1.00 2.11 H new ATOM 0 HA LYS A 61 -13.004 -6.540 2.017 1.00 73.20 H new ATOM 0 HB2 LYS A 61 -12.964 -4.206 1.089 1.00 11.12 H new ATOM 0 HB3 LYS A 61 -11.243 -4.363 0.799 1.00 11.12 H new ATOM 0 HG2 LYS A 61 -11.655 -6.138 -0.876 1.00 60.10 H new ATOM 0 HG3 LYS A 61 -13.375 -6.081 -0.546 1.00 60.10 H new ATOM 0 HD2 LYS A 61 -13.451 -3.696 -1.323 1.00 43.30 H new ATOM 0 HD3 LYS A 61 -11.728 -3.739 -1.639 1.00 43.30 H new ATOM 0 HE2 LYS A 61 -13.796 -5.508 -3.031 1.00 33.33 H new ATOM 0 HE3 LYS A 61 -13.121 -4.039 -3.708 1.00 33.33 H new ATOM 0 HZ1 LYS A 61 -11.750 -5.574 -4.637 1.00 12.31 H new ATOM 0 HZ2 LYS A 61 -10.868 -5.288 -3.214 1.00 12.31 H new ATOM 0 HZ3 LYS A 61 -11.862 -6.660 -3.335 1.00 12.31 H new ATOM 935 N TYR A 62 -9.671 -6.523 1.948 1.00 5.22 N ATOM 936 CA TYR A 62 -8.461 -7.374 1.735 1.00 24.05 C ATOM 937 C TYR A 62 -7.971 -8.008 3.041 1.00 12.31 C ATOM 938 O TYR A 62 -7.696 -9.212 3.097 1.00 14.51 O ATOM 939 CB TYR A 62 -7.327 -6.553 1.062 1.00 32.54 C ATOM 940 CG TYR A 62 -7.687 -6.142 -0.369 1.00 63.50 C ATOM 941 CD1 TYR A 62 -8.580 -5.098 -0.606 1.00 65.13 C ATOM 942 CD2 TYR A 62 -7.189 -6.834 -1.476 1.00 41.21 C ATOM 943 CE1 TYR A 62 -8.953 -4.754 -1.876 1.00 64.14 C ATOM 944 CE2 TYR A 62 -7.571 -6.491 -2.758 1.00 21.30 C ATOM 945 CZ TYR A 62 -8.455 -5.449 -2.948 1.00 45.11 C ATOM 946 OH TYR A 62 -8.851 -5.110 -4.217 1.00 34.14 O ATOM 0 H TYR A 62 -9.458 -5.574 2.257 1.00 5.22 H new ATOM 0 HA TYR A 62 -8.746 -8.187 1.068 1.00 24.05 H new ATOM 0 HB2 TYR A 62 -7.124 -5.661 1.655 1.00 32.54 H new ATOM 0 HB3 TYR A 62 -6.411 -7.143 1.050 1.00 32.54 H new ATOM 0 HD1 TYR A 62 -8.986 -4.549 0.231 1.00 65.13 H new ATOM 0 HD2 TYR A 62 -6.496 -7.649 -1.327 1.00 41.21 H new ATOM 0 HE1 TYR A 62 -9.639 -3.935 -2.034 1.00 64.14 H new ATOM 0 HE2 TYR A 62 -7.181 -7.035 -3.606 1.00 21.30 H new ATOM 0 HH TYR A 62 -8.604 -4.179 -4.399 1.00 34.14 H new ATOM 956 N PHE A 63 -7.860 -7.178 4.075 1.00 73.10 N ATOM 957 CA PHE A 63 -7.380 -7.588 5.413 1.00 4.31 C ATOM 958 C PHE A 63 -8.596 -7.819 6.338 1.00 24.31 C ATOM 959 O PHE A 63 -9.746 -7.826 5.869 1.00 71.24 O ATOM 960 CB PHE A 63 -6.419 -6.493 5.966 1.00 73.13 C ATOM 961 CG PHE A 63 -5.276 -6.142 5.006 1.00 2.03 C ATOM 962 CD1 PHE A 63 -4.145 -6.953 4.913 1.00 32.20 C ATOM 963 CD2 PHE A 63 -5.349 -5.016 4.178 1.00 30.11 C ATOM 964 CE1 PHE A 63 -3.126 -6.647 4.029 1.00 1.34 C ATOM 965 CE2 PHE A 63 -4.331 -4.716 3.293 1.00 75.05 C ATOM 966 CZ PHE A 63 -3.219 -5.532 3.219 1.00 74.12 C ATOM 0 H PHE A 63 -8.101 -6.189 4.018 1.00 73.10 H new ATOM 0 HA PHE A 63 -6.823 -8.523 5.358 1.00 4.31 H new ATOM 0 HB2 PHE A 63 -6.993 -5.591 6.180 1.00 73.13 H new ATOM 0 HB3 PHE A 63 -5.997 -6.834 6.911 1.00 73.13 H new ATOM 0 HD1 PHE A 63 -4.064 -7.830 5.538 1.00 32.20 H new ATOM 0 HD2 PHE A 63 -6.214 -4.372 4.232 1.00 30.11 H new ATOM 0 HE1 PHE A 63 -2.254 -7.282 3.972 1.00 1.34 H new ATOM 0 HE2 PHE A 63 -4.405 -3.844 2.660 1.00 75.05 H new ATOM 0 HZ PHE A 63 -2.423 -5.298 2.528 1.00 74.12 H new ATOM 976 N LYS A 64 -8.362 -8.024 7.647 1.00 54.40 N ATOM 977 CA LYS A 64 -9.443 -8.324 8.618 1.00 35.22 C ATOM 978 C LYS A 64 -9.512 -7.236 9.702 1.00 72.23 C ATOM 979 O LYS A 64 -9.681 -7.524 10.894 1.00 43.10 O ATOM 980 CB LYS A 64 -9.230 -9.737 9.239 1.00 42.53 C ATOM 981 CG LYS A 64 -9.224 -10.901 8.220 1.00 12.33 C ATOM 982 CD LYS A 64 -10.524 -10.993 7.377 1.00 41.10 C ATOM 983 CE LYS A 64 -11.786 -11.266 8.219 1.00 31.20 C ATOM 984 NZ LYS A 64 -13.004 -11.335 7.373 1.00 52.22 N ATOM 0 H LYS A 64 -7.431 -7.988 8.063 1.00 54.40 H new ATOM 0 HA LYS A 64 -10.399 -8.327 8.095 1.00 35.22 H new ATOM 0 HB2 LYS A 64 -8.284 -9.742 9.780 1.00 42.53 H new ATOM 0 HB3 LYS A 64 -10.016 -9.918 9.972 1.00 42.53 H new ATOM 0 HG2 LYS A 64 -8.373 -10.782 7.549 1.00 12.33 H new ATOM 0 HG3 LYS A 64 -9.080 -11.840 8.754 1.00 12.33 H new ATOM 0 HD2 LYS A 64 -10.658 -10.061 6.828 1.00 41.10 H new ATOM 0 HD3 LYS A 64 -10.412 -11.786 6.637 1.00 41.10 H new ATOM 0 HE2 LYS A 64 -11.666 -12.204 8.762 1.00 31.20 H new ATOM 0 HE3 LYS A 64 -11.904 -10.479 8.964 1.00 31.20 H new ATOM 0 HZ1 LYS A 64 -13.833 -11.520 7.973 1.00 52.22 H new ATOM 0 HZ2 LYS A 64 -13.132 -10.431 6.874 1.00 52.22 H new ATOM 0 HZ3 LYS A 64 -12.901 -12.102 6.678 1.00 52.22 H new ATOM 998 N HIS A 65 -9.434 -5.976 9.255 1.00 15.31 N ATOM 999 CA HIS A 65 -9.433 -4.798 10.141 1.00 74.30 C ATOM 1000 C HIS A 65 -9.732 -3.541 9.322 1.00 34.12 C ATOM 1001 O HIS A 65 -9.603 -3.552 8.108 1.00 21.11 O ATOM 1002 CB HIS A 65 -8.075 -4.645 10.889 1.00 42.15 C ATOM 1003 CG HIS A 65 -6.864 -4.434 10.003 1.00 72.13 C ATOM 1004 ND1 HIS A 65 -6.361 -3.185 9.687 1.00 22.31 N ATOM 1005 CD2 HIS A 65 -6.048 -5.323 9.391 1.00 14.10 C ATOM 1006 CE1 HIS A 65 -5.293 -3.323 8.924 1.00 24.45 C ATOM 1007 NE2 HIS A 65 -5.082 -4.609 8.730 1.00 31.32 N ATOM 0 H HIS A 65 -9.369 -5.741 8.265 1.00 15.31 H new ATOM 0 HA HIS A 65 -10.208 -4.937 10.894 1.00 74.30 H new ATOM 0 HB2 HIS A 65 -8.152 -3.803 11.577 1.00 42.15 H new ATOM 0 HB3 HIS A 65 -7.910 -5.537 11.494 1.00 42.15 H new ATOM 0 HD1 HIS A 65 -6.754 -2.296 9.996 1.00 22.31 H new ATOM 0 HD2 HIS A 65 -6.141 -6.399 9.418 1.00 14.10 H new ATOM 0 HE1 HIS A 65 -4.693 -2.518 8.526 1.00 24.45 H new ATOM 1016 N ASN A 66 -10.080 -2.450 10.008 1.00 71.52 N ATOM 1017 CA ASN A 66 -10.360 -1.136 9.375 1.00 20.35 C ATOM 1018 C ASN A 66 -9.421 -0.056 9.948 1.00 75.31 C ATOM 1019 O ASN A 66 -9.351 1.059 9.426 1.00 51.10 O ATOM 1020 CB ASN A 66 -11.859 -0.742 9.539 1.00 2.14 C ATOM 1021 CG ASN A 66 -12.385 -0.765 10.984 1.00 13.20 C ATOM 1022 OD1 ASN A 66 -11.649 -0.554 11.944 1.00 55.22 O ATOM 1023 ND2 ASN A 66 -13.676 -1.004 11.149 1.00 1.10 N ATOM 0 H ASN A 66 -10.179 -2.441 11.023 1.00 71.52 H new ATOM 0 HA ASN A 66 -10.166 -1.217 8.306 1.00 20.35 H new ATOM 0 HB2 ASN A 66 -12.002 0.259 9.133 1.00 2.14 H new ATOM 0 HB3 ASN A 66 -12.465 -1.420 8.937 1.00 2.14 H new ATOM 0 HD21 ASN A 66 -14.077 -1.015 12.087 1.00 1.10 H new ATOM 0 HD22 ASN A 66 -14.270 -1.177 10.338 1.00 1.10 H new ATOM 1030 N ASN A 67 -8.723 -0.409 11.048 1.00 13.43 N ATOM 1031 CA ASN A 67 -7.686 0.431 11.671 1.00 44.50 C ATOM 1032 C ASN A 67 -6.473 0.555 10.720 1.00 32.52 C ATOM 1033 O ASN A 67 -5.834 -0.457 10.391 1.00 52.12 O ATOM 1034 CB ASN A 67 -7.275 -0.202 13.029 1.00 53.42 C ATOM 1035 CG ASN A 67 -6.149 0.529 13.758 1.00 33.11 C ATOM 1036 OD1 ASN A 67 -4.980 0.213 13.584 1.00 72.53 O ATOM 1037 ND2 ASN A 67 -6.486 1.506 14.580 1.00 74.30 N ATOM 0 H ASN A 67 -8.867 -1.295 11.531 1.00 13.43 H new ATOM 0 HA ASN A 67 -8.071 1.434 11.854 1.00 44.50 H new ATOM 0 HB2 ASN A 67 -8.149 -0.235 13.679 1.00 53.42 H new ATOM 0 HB3 ASN A 67 -6.968 -1.233 12.856 1.00 53.42 H new ATOM 0 HD21 ASN A 67 -5.764 2.017 15.088 1.00 74.30 H new ATOM 0 HD22 ASN A 67 -7.468 1.750 14.707 1.00 74.30 H new ATOM 1044 N MET A 68 -6.173 1.787 10.273 1.00 23.43 N ATOM 1045 CA MET A 68 -5.089 2.038 9.303 1.00 35.34 C ATOM 1046 C MET A 68 -3.749 2.241 10.020 1.00 62.05 C ATOM 1047 O MET A 68 -2.689 2.102 9.401 1.00 63.33 O ATOM 1048 CB MET A 68 -5.397 3.237 8.368 1.00 73.31 C ATOM 1049 CG MET A 68 -4.414 3.364 7.203 1.00 73.35 C ATOM 1050 SD MET A 68 -4.831 4.681 6.062 1.00 31.34 S ATOM 1051 CE MET A 68 -3.636 4.346 4.780 1.00 62.25 C ATOM 0 H MET A 68 -6.668 2.629 10.569 1.00 23.43 H new ATOM 0 HA MET A 68 -5.018 1.151 8.673 1.00 35.34 H new ATOM 0 HB2 MET A 68 -6.407 3.130 7.972 1.00 73.31 H new ATOM 0 HB3 MET A 68 -5.379 4.158 8.951 1.00 73.31 H new ATOM 0 HG2 MET A 68 -3.414 3.539 7.599 1.00 73.35 H new ATOM 0 HG3 MET A 68 -4.381 2.419 6.660 1.00 73.35 H new ATOM 0 HE1 MET A 68 -3.614 5.179 4.077 1.00 62.25 H new ATOM 0 HE2 MET A 68 -2.649 4.221 5.226 1.00 62.25 H new ATOM 0 HE3 MET A 68 -3.914 3.433 4.253 1.00 62.25 H new ATOM 1061 N ALA A 69 -3.799 2.550 11.330 1.00 23.03 N ATOM 1062 CA ALA A 69 -2.595 2.626 12.182 1.00 34.31 C ATOM 1063 C ALA A 69 -1.809 1.300 12.114 1.00 74.51 C ATOM 1064 O ALA A 69 -0.585 1.306 12.060 1.00 30.14 O ATOM 1065 CB ALA A 69 -2.984 2.966 13.631 1.00 12.51 C ATOM 0 H ALA A 69 -4.667 2.753 11.825 1.00 23.03 H new ATOM 0 HA ALA A 69 -1.950 3.423 11.811 1.00 34.31 H new ATOM 0 HB1 ALA A 69 -2.086 3.018 14.246 1.00 12.51 H new ATOM 0 HB2 ALA A 69 -3.496 3.928 13.654 1.00 12.51 H new ATOM 0 HB3 ALA A 69 -3.646 2.193 14.021 1.00 12.51 H new ATOM 1071 N SER A 70 -2.567 0.187 12.053 1.00 1.23 N ATOM 1072 CA SER A 70 -2.046 -1.178 11.884 1.00 63.02 C ATOM 1073 C SER A 70 -1.397 -1.363 10.499 1.00 5.50 C ATOM 1074 O SER A 70 -0.288 -1.889 10.406 1.00 4.02 O ATOM 1075 CB SER A 70 -3.204 -2.186 12.075 1.00 20.21 C ATOM 1076 OG SER A 70 -2.786 -3.529 11.889 1.00 41.23 O ATOM 0 H SER A 70 -3.584 0.217 12.122 1.00 1.23 H new ATOM 0 HA SER A 70 -1.274 -1.355 12.633 1.00 63.02 H new ATOM 0 HB2 SER A 70 -3.620 -2.073 13.076 1.00 20.21 H new ATOM 0 HB3 SER A 70 -4.003 -1.956 11.370 1.00 20.21 H new ATOM 0 HG SER A 70 -3.549 -4.130 12.021 1.00 41.23 H new ATOM 1082 N PHE A 71 -2.097 -0.892 9.441 1.00 21.23 N ATOM 1083 CA PHE A 71 -1.676 -1.062 8.029 1.00 52.44 C ATOM 1084 C PHE A 71 -0.317 -0.366 7.782 1.00 21.33 C ATOM 1085 O PHE A 71 0.623 -0.979 7.259 1.00 13.52 O ATOM 1086 CB PHE A 71 -2.790 -0.501 7.091 1.00 1.20 C ATOM 1087 CG PHE A 71 -2.443 -0.467 5.593 1.00 63.53 C ATOM 1088 CD1 PHE A 71 -2.355 -1.645 4.848 1.00 74.01 C ATOM 1089 CD2 PHE A 71 -2.224 0.748 4.932 1.00 44.13 C ATOM 1090 CE1 PHE A 71 -2.057 -1.610 3.496 1.00 43.43 C ATOM 1091 CE2 PHE A 71 -1.924 0.779 3.582 1.00 52.13 C ATOM 1092 CZ PHE A 71 -1.843 -0.399 2.864 1.00 34.15 C ATOM 0 H PHE A 71 -2.974 -0.381 9.542 1.00 21.23 H new ATOM 0 HA PHE A 71 -1.540 -2.121 7.810 1.00 52.44 H new ATOM 0 HB2 PHE A 71 -3.689 -1.103 7.224 1.00 1.20 H new ATOM 0 HB3 PHE A 71 -3.034 0.512 7.412 1.00 1.20 H new ATOM 0 HD1 PHE A 71 -2.522 -2.596 5.333 1.00 74.01 H new ATOM 0 HD2 PHE A 71 -2.290 1.674 5.484 1.00 44.13 H new ATOM 0 HE1 PHE A 71 -1.992 -2.530 2.934 1.00 43.43 H new ATOM 0 HE2 PHE A 71 -1.753 1.724 3.089 1.00 52.13 H new ATOM 0 HZ PHE A 71 -1.613 -0.374 1.809 1.00 34.15 H new ATOM 1102 N VAL A 72 -0.241 0.915 8.185 1.00 61.43 N ATOM 1103 CA VAL A 72 0.977 1.736 8.087 1.00 51.13 C ATOM 1104 C VAL A 72 2.106 1.149 8.965 1.00 42.34 C ATOM 1105 O VAL A 72 3.258 1.100 8.535 1.00 33.22 O ATOM 1106 CB VAL A 72 0.686 3.234 8.489 1.00 13.33 C ATOM 1107 CG1 VAL A 72 1.957 4.114 8.382 1.00 22.01 C ATOM 1108 CG2 VAL A 72 -0.460 3.828 7.625 1.00 43.41 C ATOM 0 H VAL A 72 -1.032 1.414 8.592 1.00 61.43 H new ATOM 0 HA VAL A 72 1.306 1.722 7.048 1.00 51.13 H new ATOM 0 HB VAL A 72 0.370 3.233 9.532 1.00 13.33 H new ATOM 0 HG11 VAL A 72 1.716 5.138 8.667 1.00 22.01 H new ATOM 0 HG12 VAL A 72 2.727 3.724 9.048 1.00 22.01 H new ATOM 0 HG13 VAL A 72 2.324 4.100 7.356 1.00 22.01 H new ATOM 0 HG21 VAL A 72 -0.641 4.861 7.922 1.00 43.41 H new ATOM 0 HG22 VAL A 72 -0.176 3.797 6.573 1.00 43.41 H new ATOM 0 HG23 VAL A 72 -1.368 3.243 7.773 1.00 43.41 H new ATOM 1118 N ARG A 73 1.746 0.680 10.182 1.00 34.11 N ATOM 1119 CA ARG A 73 2.690 0.081 11.160 1.00 71.30 C ATOM 1120 C ARG A 73 3.445 -1.113 10.542 1.00 1.24 C ATOM 1121 O ARG A 73 4.653 -1.272 10.762 1.00 35.31 O ATOM 1122 CB ARG A 73 1.902 -0.365 12.421 1.00 10.03 C ATOM 1123 CG ARG A 73 2.729 -0.910 13.607 1.00 62.21 C ATOM 1124 CD ARG A 73 1.821 -1.286 14.800 1.00 62.05 C ATOM 1125 NE ARG A 73 2.576 -1.677 16.002 1.00 73.32 N ATOM 1126 CZ ARG A 73 2.043 -1.820 17.229 1.00 21.01 C ATOM 1127 NH1 ARG A 73 0.740 -1.614 17.445 1.00 15.41 N ATOM 1128 NH2 ARG A 73 2.815 -2.174 18.241 1.00 53.53 N ATOM 0 H ARG A 73 0.783 0.706 10.518 1.00 34.11 H new ATOM 0 HA ARG A 73 3.432 0.829 11.440 1.00 71.30 H new ATOM 0 HB2 ARG A 73 1.320 0.486 12.776 1.00 10.03 H new ATOM 0 HB3 ARG A 73 1.191 -1.135 12.122 1.00 10.03 H new ATOM 0 HG2 ARG A 73 3.294 -1.786 13.287 1.00 62.21 H new ATOM 0 HG3 ARG A 73 3.455 -0.160 13.922 1.00 62.21 H new ATOM 0 HD2 ARG A 73 1.179 -0.439 15.041 1.00 62.05 H new ATOM 0 HD3 ARG A 73 1.167 -2.107 14.506 1.00 62.05 H new ATOM 0 HE ARG A 73 3.575 -1.852 15.897 1.00 73.32 H new ATOM 0 HH11 ARG A 73 0.131 -1.343 16.672 1.00 15.41 H new ATOM 0 HH12 ARG A 73 0.354 -1.727 18.382 1.00 15.41 H new ATOM 0 HH21 ARG A 73 3.810 -2.338 18.090 1.00 53.53 H new ATOM 0 HH22 ARG A 73 2.416 -2.284 19.173 1.00 53.53 H new ATOM 1142 N GLN A 74 2.712 -1.931 9.747 1.00 3.41 N ATOM 1143 CA GLN A 74 3.296 -3.071 9.022 1.00 23.24 C ATOM 1144 C GLN A 74 4.324 -2.567 8.002 1.00 43.44 C ATOM 1145 O GLN A 74 5.433 -3.089 7.931 1.00 72.13 O ATOM 1146 CB GLN A 74 2.207 -3.919 8.305 1.00 53.10 C ATOM 1147 CG GLN A 74 1.076 -4.461 9.205 1.00 72.24 C ATOM 1148 CD GLN A 74 1.573 -5.252 10.419 1.00 23.33 C ATOM 1149 OE1 GLN A 74 1.776 -6.459 10.348 1.00 32.44 O ATOM 1150 NE2 GLN A 74 1.761 -4.576 11.543 1.00 33.31 N ATOM 0 H GLN A 74 1.710 -1.815 9.596 1.00 3.41 H new ATOM 0 HA GLN A 74 3.787 -3.714 9.752 1.00 23.24 H new ATOM 0 HB2 GLN A 74 1.760 -3.311 7.518 1.00 53.10 H new ATOM 0 HB3 GLN A 74 2.694 -4.764 7.817 1.00 53.10 H new ATOM 0 HG2 GLN A 74 0.469 -3.625 9.552 1.00 72.24 H new ATOM 0 HG3 GLN A 74 0.426 -5.101 8.609 1.00 72.24 H new ATOM 0 HE21 GLN A 74 1.583 -3.572 11.570 1.00 33.31 H new ATOM 0 HE22 GLN A 74 2.083 -5.060 12.381 1.00 33.31 H new ATOM 1159 N LEU A 75 3.945 -1.518 7.246 1.00 33.11 N ATOM 1160 CA LEU A 75 4.788 -0.922 6.186 1.00 32.41 C ATOM 1161 C LEU A 75 6.112 -0.367 6.760 1.00 63.14 C ATOM 1162 O LEU A 75 7.150 -0.476 6.112 1.00 33.51 O ATOM 1163 CB LEU A 75 3.979 0.174 5.443 1.00 71.34 C ATOM 1164 CG LEU A 75 2.721 -0.343 4.665 1.00 24.52 C ATOM 1165 CD1 LEU A 75 1.797 0.808 4.252 1.00 52.54 C ATOM 1166 CD2 LEU A 75 3.123 -1.184 3.434 1.00 31.11 C ATOM 0 H LEU A 75 3.042 -1.057 7.353 1.00 33.11 H new ATOM 0 HA LEU A 75 5.063 -1.699 5.472 1.00 32.41 H new ATOM 0 HB2 LEU A 75 3.657 0.921 6.169 1.00 71.34 H new ATOM 0 HB3 LEU A 75 4.641 0.678 4.739 1.00 71.34 H new ATOM 0 HG LEU A 75 2.168 -0.987 5.349 1.00 24.52 H new ATOM 0 HD11 LEU A 75 0.936 0.409 3.715 1.00 52.54 H new ATOM 0 HD12 LEU A 75 1.456 1.338 5.141 1.00 52.54 H new ATOM 0 HD13 LEU A 75 2.341 1.497 3.605 1.00 52.54 H new ATOM 0 HD21 LEU A 75 2.226 -1.526 2.918 1.00 31.11 H new ATOM 0 HD22 LEU A 75 3.721 -0.574 2.756 1.00 31.11 H new ATOM 0 HD23 LEU A 75 3.707 -2.046 3.757 1.00 31.11 H new ATOM 1178 N ASN A 76 6.058 0.226 7.978 1.00 15.43 N ATOM 1179 CA ASN A 76 7.264 0.671 8.730 1.00 43.23 C ATOM 1180 C ASN A 76 8.227 -0.505 8.995 1.00 31.32 C ATOM 1181 O ASN A 76 9.452 -0.338 8.934 1.00 52.42 O ATOM 1182 CB ASN A 76 6.874 1.344 10.079 1.00 50.33 C ATOM 1183 CG ASN A 76 6.311 2.755 9.917 1.00 24.52 C ATOM 1184 OD1 ASN A 76 7.050 3.735 9.908 1.00 13.42 O ATOM 1185 ND2 ASN A 76 5.008 2.871 9.789 1.00 2.14 N ATOM 0 H ASN A 76 5.182 0.410 8.468 1.00 15.43 H new ATOM 0 HA ASN A 76 7.774 1.406 8.107 1.00 43.23 H new ATOM 0 HB2 ASN A 76 6.135 0.723 10.585 1.00 50.33 H new ATOM 0 HB3 ASN A 76 7.752 1.384 10.723 1.00 50.33 H new ATOM 0 HD21 ASN A 76 4.586 3.793 9.679 1.00 2.14 H new ATOM 0 HD22 ASN A 76 4.418 2.039 9.800 1.00 2.14 H new ATOM 1192 N MET A 77 7.654 -1.686 9.298 1.00 35.31 N ATOM 1193 CA MET A 77 8.438 -2.918 9.515 1.00 14.42 C ATOM 1194 C MET A 77 9.029 -3.423 8.184 1.00 41.15 C ATOM 1195 O MET A 77 10.134 -3.963 8.159 1.00 32.22 O ATOM 1196 CB MET A 77 7.571 -4.032 10.152 1.00 21.30 C ATOM 1197 CG MET A 77 6.865 -3.649 11.457 1.00 45.02 C ATOM 1198 SD MET A 77 6.097 -5.071 12.280 1.00 72.42 S ATOM 1199 CE MET A 77 5.169 -5.851 10.960 1.00 23.14 C ATOM 0 H MET A 77 6.647 -1.813 9.398 1.00 35.31 H new ATOM 0 HA MET A 77 9.249 -2.675 10.202 1.00 14.42 H new ATOM 0 HB2 MET A 77 6.817 -4.341 9.428 1.00 21.30 H new ATOM 0 HB3 MET A 77 8.205 -4.898 10.342 1.00 21.30 H new ATOM 0 HG2 MET A 77 7.585 -3.188 12.133 1.00 45.02 H new ATOM 0 HG3 MET A 77 6.101 -2.900 11.246 1.00 45.02 H new ATOM 0 HE1 MET A 77 4.142 -6.016 11.286 1.00 23.14 H new ATOM 0 HE2 MET A 77 5.172 -5.205 10.082 1.00 23.14 H new ATOM 0 HE3 MET A 77 5.628 -6.807 10.708 1.00 23.14 H new ATOM 1209 N TYR A 78 8.273 -3.219 7.082 1.00 62.52 N ATOM 1210 CA TYR A 78 8.666 -3.664 5.724 1.00 71.43 C ATOM 1211 C TYR A 78 9.656 -2.676 5.066 1.00 10.01 C ATOM 1212 O TYR A 78 10.232 -2.980 4.014 1.00 22.22 O ATOM 1213 CB TYR A 78 7.410 -3.867 4.828 1.00 63.23 C ATOM 1214 CG TYR A 78 6.647 -5.181 5.080 1.00 41.22 C ATOM 1215 CD1 TYR A 78 7.141 -6.394 4.603 1.00 64.12 C ATOM 1216 CD2 TYR A 78 5.436 -5.208 5.771 1.00 12.21 C ATOM 1217 CE1 TYR A 78 6.459 -7.577 4.813 1.00 71.20 C ATOM 1218 CE2 TYR A 78 4.755 -6.385 5.986 1.00 32.00 C ATOM 1219 CZ TYR A 78 5.265 -7.569 5.500 1.00 5.12 C ATOM 1220 OH TYR A 78 4.597 -8.751 5.723 1.00 32.41 O ATOM 0 H TYR A 78 7.372 -2.741 7.108 1.00 62.52 H new ATOM 0 HA TYR A 78 9.177 -4.621 5.825 1.00 71.43 H new ATOM 0 HB2 TYR A 78 6.729 -3.031 4.986 1.00 63.23 H new ATOM 0 HB3 TYR A 78 7.717 -3.835 3.783 1.00 63.23 H new ATOM 0 HD1 TYR A 78 8.074 -6.409 4.059 1.00 64.12 H new ATOM 0 HD2 TYR A 78 5.023 -4.284 6.146 1.00 12.21 H new ATOM 0 HE1 TYR A 78 6.861 -8.507 4.439 1.00 71.20 H new ATOM 0 HE2 TYR A 78 3.824 -6.380 6.534 1.00 32.00 H new ATOM 0 HH TYR A 78 3.914 -8.616 6.413 1.00 32.41 H new ATOM 1230 N GLY A 79 9.854 -1.505 5.695 1.00 61.00 N ATOM 1231 CA GLY A 79 10.795 -0.500 5.199 1.00 31.52 C ATOM 1232 C GLY A 79 10.238 0.387 4.088 1.00 35.12 C ATOM 1233 O GLY A 79 11.013 0.955 3.308 1.00 10.23 O ATOM 0 H GLY A 79 9.370 -1.235 6.551 1.00 61.00 H new ATOM 0 HA2 GLY A 79 11.106 0.132 6.031 1.00 31.52 H new ATOM 0 HA3 GLY A 79 11.688 -1.005 4.831 1.00 31.52 H new ATOM 1237 N PHE A 80 8.898 0.505 4.000 1.00 40.44 N ATOM 1238 CA PHE A 80 8.232 1.462 3.091 1.00 40.45 C ATOM 1239 C PHE A 80 8.270 2.853 3.738 1.00 52.43 C ATOM 1240 O PHE A 80 8.021 2.988 4.941 1.00 61.31 O ATOM 1241 CB PHE A 80 6.767 1.045 2.791 1.00 32.41 C ATOM 1242 CG PHE A 80 6.635 -0.145 1.841 1.00 50.24 C ATOM 1243 CD1 PHE A 80 6.563 0.054 0.459 1.00 44.20 C ATOM 1244 CD2 PHE A 80 6.577 -1.450 2.322 1.00 21.31 C ATOM 1245 CE1 PHE A 80 6.440 -1.017 -0.404 1.00 32.42 C ATOM 1246 CE2 PHE A 80 6.448 -2.520 1.456 1.00 11.03 C ATOM 1247 CZ PHE A 80 6.380 -2.304 0.096 1.00 41.12 C ATOM 0 H PHE A 80 8.250 -0.056 4.553 1.00 40.44 H new ATOM 0 HA PHE A 80 8.761 1.473 2.138 1.00 40.45 H new ATOM 0 HB2 PHE A 80 6.271 0.802 3.731 1.00 32.41 H new ATOM 0 HB3 PHE A 80 6.239 1.897 2.363 1.00 32.41 H new ATOM 0 HD1 PHE A 80 6.604 1.057 0.062 1.00 44.20 H new ATOM 0 HD2 PHE A 80 6.634 -1.629 3.386 1.00 21.31 H new ATOM 0 HE1 PHE A 80 6.391 -0.849 -1.470 1.00 32.42 H new ATOM 0 HE2 PHE A 80 6.400 -3.526 1.845 1.00 11.03 H new ATOM 0 HZ PHE A 80 6.280 -3.141 -0.579 1.00 41.12 H new ATOM 1257 N ARG A 81 8.573 3.878 2.933 1.00 71.50 N ATOM 1258 CA ARG A 81 8.843 5.238 3.428 1.00 21.34 C ATOM 1259 C ARG A 81 7.625 6.151 3.195 1.00 10.10 C ATOM 1260 O ARG A 81 7.116 6.226 2.077 1.00 64.11 O ATOM 1261 CB ARG A 81 10.103 5.793 2.710 1.00 72.05 C ATOM 1262 CG ARG A 81 10.683 7.100 3.306 1.00 63.32 C ATOM 1263 CD ARG A 81 12.032 7.492 2.667 1.00 53.14 C ATOM 1264 NE ARG A 81 13.024 6.394 2.744 1.00 22.53 N ATOM 1265 CZ ARG A 81 14.342 6.512 2.545 1.00 3.21 C ATOM 1266 NH1 ARG A 81 14.900 7.690 2.256 1.00 74.50 N ATOM 1267 NH2 ARG A 81 15.101 5.431 2.616 1.00 53.22 N ATOM 0 H ARG A 81 8.639 3.791 1.919 1.00 71.50 H new ATOM 0 HA ARG A 81 9.027 5.208 4.502 1.00 21.34 H new ATOM 0 HB2 ARG A 81 10.879 5.028 2.731 1.00 72.05 H new ATOM 0 HB3 ARG A 81 9.856 5.969 1.663 1.00 72.05 H new ATOM 0 HG2 ARG A 81 9.968 7.910 3.163 1.00 63.32 H new ATOM 0 HG3 ARG A 81 10.815 6.978 4.381 1.00 63.32 H new ATOM 0 HD2 ARG A 81 11.873 7.764 1.624 1.00 53.14 H new ATOM 0 HD3 ARG A 81 12.428 8.374 3.170 1.00 53.14 H new ATOM 0 HE ARG A 81 12.670 5.464 2.969 1.00 22.53 H new ATOM 0 HH11 ARG A 81 14.319 8.525 2.183 1.00 74.50 H new ATOM 0 HH12 ARG A 81 15.907 7.755 2.109 1.00 74.50 H new ATOM 0 HH21 ARG A 81 14.680 4.525 2.820 1.00 53.22 H new ATOM 0 HH22 ARG A 81 16.107 5.504 2.467 1.00 53.22 H new ATOM 1281 N LYS A 82 7.168 6.815 4.276 1.00 23.23 N ATOM 1282 CA LYS A 82 6.104 7.842 4.250 1.00 70.14 C ATOM 1283 C LYS A 82 6.583 9.067 3.444 1.00 21.31 C ATOM 1284 O LYS A 82 7.564 9.713 3.832 1.00 54.42 O ATOM 1285 CB LYS A 82 5.785 8.260 5.726 1.00 2.13 C ATOM 1286 CG LYS A 82 4.858 9.501 5.911 1.00 51.14 C ATOM 1287 CD LYS A 82 3.354 9.190 5.704 1.00 4.51 C ATOM 1288 CE LYS A 82 2.481 10.462 5.713 1.00 74.51 C ATOM 1289 NZ LYS A 82 1.020 10.169 5.700 1.00 50.42 N ATOM 0 H LYS A 82 7.536 6.649 5.213 1.00 23.23 H new ATOM 0 HA LYS A 82 5.207 7.444 3.775 1.00 70.14 H new ATOM 0 HB2 LYS A 82 5.323 7.411 6.229 1.00 2.13 H new ATOM 0 HB3 LYS A 82 6.728 8.459 6.236 1.00 2.13 H new ATOM 0 HG2 LYS A 82 5.002 9.905 6.913 1.00 51.14 H new ATOM 0 HG3 LYS A 82 5.160 10.277 5.208 1.00 51.14 H new ATOM 0 HD2 LYS A 82 3.221 8.669 4.756 1.00 4.51 H new ATOM 0 HD3 LYS A 82 3.014 8.515 6.489 1.00 4.51 H new ATOM 0 HE2 LYS A 82 2.719 11.052 6.598 1.00 74.51 H new ATOM 0 HE3 LYS A 82 2.731 11.073 4.845 1.00 74.51 H new ATOM 0 HZ1 LYS A 82 0.492 11.046 5.520 1.00 50.42 H new ATOM 0 HZ2 LYS A 82 0.811 9.479 4.951 1.00 50.42 H new ATOM 0 HZ3 LYS A 82 0.736 9.777 6.621 1.00 50.42 H new ATOM 1303 N VAL A 83 5.920 9.359 2.310 1.00 0.13 N ATOM 1304 CA VAL A 83 6.199 10.561 1.496 1.00 32.35 C ATOM 1305 C VAL A 83 4.896 11.373 1.349 1.00 71.13 C ATOM 1306 O VAL A 83 3.900 10.866 0.826 1.00 41.21 O ATOM 1307 CB VAL A 83 6.772 10.189 0.075 1.00 3.20 C ATOM 1308 CG1 VAL A 83 7.102 11.454 -0.757 1.00 3.13 C ATOM 1309 CG2 VAL A 83 8.015 9.271 0.197 1.00 21.13 C ATOM 0 H VAL A 83 5.177 8.771 1.931 1.00 0.13 H new ATOM 0 HA VAL A 83 6.960 11.155 2.002 1.00 32.35 H new ATOM 0 HB VAL A 83 5.994 9.639 -0.454 1.00 3.20 H new ATOM 0 HG11 VAL A 83 7.494 11.158 -1.730 1.00 3.13 H new ATOM 0 HG12 VAL A 83 6.197 12.045 -0.896 1.00 3.13 H new ATOM 0 HG13 VAL A 83 7.848 12.051 -0.232 1.00 3.13 H new ATOM 0 HG21 VAL A 83 8.389 9.031 -0.798 1.00 21.13 H new ATOM 0 HG22 VAL A 83 8.793 9.785 0.762 1.00 21.13 H new ATOM 0 HG23 VAL A 83 7.739 8.351 0.713 1.00 21.13 H new ATOM 1319 N VAL A 84 4.925 12.626 1.822 1.00 25.23 N ATOM 1320 CA VAL A 84 3.759 13.531 1.838 1.00 24.31 C ATOM 1321 C VAL A 84 3.728 14.349 0.531 1.00 65.11 C ATOM 1322 O VAL A 84 4.696 15.048 0.223 1.00 33.13 O ATOM 1323 CB VAL A 84 3.842 14.508 3.076 1.00 51.44 C ATOM 1324 CG1 VAL A 84 2.571 15.381 3.209 1.00 35.34 C ATOM 1325 CG2 VAL A 84 4.119 13.725 4.385 1.00 20.11 C ATOM 0 H VAL A 84 5.768 13.049 2.210 1.00 25.23 H new ATOM 0 HA VAL A 84 2.848 12.938 1.920 1.00 24.31 H new ATOM 0 HB VAL A 84 4.680 15.183 2.900 1.00 51.44 H new ATOM 0 HG11 VAL A 84 2.670 16.038 4.073 1.00 35.34 H new ATOM 0 HG12 VAL A 84 2.446 15.982 2.308 1.00 35.34 H new ATOM 0 HG13 VAL A 84 1.700 14.738 3.340 1.00 35.34 H new ATOM 0 HG21 VAL A 84 4.171 14.422 5.222 1.00 20.11 H new ATOM 0 HG22 VAL A 84 3.315 13.010 4.558 1.00 20.11 H new ATOM 0 HG23 VAL A 84 5.066 13.192 4.297 1.00 20.11 H new ATOM 1335 N HIS A 85 2.631 14.248 -0.247 1.00 32.32 N ATOM 1336 CA HIS A 85 2.479 15.002 -1.522 1.00 61.33 C ATOM 1337 C HIS A 85 1.450 16.129 -1.366 1.00 25.41 C ATOM 1338 O HIS A 85 1.701 17.267 -1.797 1.00 34.21 O ATOM 1339 CB HIS A 85 2.104 14.057 -2.680 1.00 55.31 C ATOM 1340 CG HIS A 85 3.229 13.159 -3.135 1.00 45.41 C ATOM 1341 ND1 HIS A 85 3.918 13.354 -4.315 1.00 1.13 N ATOM 1342 CD2 HIS A 85 3.790 12.069 -2.559 1.00 1.12 C ATOM 1343 CE1 HIS A 85 4.841 12.430 -4.443 1.00 62.23 C ATOM 1344 NE2 HIS A 85 4.786 11.640 -3.394 1.00 61.24 N ATOM 0 H HIS A 85 1.834 13.653 -0.020 1.00 32.32 H new ATOM 0 HA HIS A 85 3.439 15.457 -1.766 1.00 61.33 H new ATOM 0 HB2 HIS A 85 1.262 13.438 -2.371 1.00 55.31 H new ATOM 0 HB3 HIS A 85 1.766 14.654 -3.527 1.00 55.31 H new ATOM 0 HD2 HIS A 85 3.505 11.622 -1.618 1.00 1.12 H new ATOM 0 HE1 HIS A 85 5.529 12.335 -5.270 1.00 62.23 H new ATOM 0 HE2 HIS A 85 5.390 10.835 -3.228 1.00 61.24 H new ATOM 1353 N ILE A 86 0.284 15.811 -0.766 1.00 75.34 N ATOM 1354 CA ILE A 86 -0.672 16.844 -0.332 1.00 23.41 C ATOM 1355 C ILE A 86 -0.058 17.600 0.855 1.00 21.14 C ATOM 1356 O ILE A 86 0.190 17.010 1.912 1.00 24.24 O ATOM 1357 CB ILE A 86 -2.078 16.255 0.077 1.00 41.33 C ATOM 1358 CG1 ILE A 86 -2.821 15.648 -1.158 1.00 21.13 C ATOM 1359 CG2 ILE A 86 -2.962 17.333 0.776 1.00 13.04 C ATOM 1360 CD1 ILE A 86 -3.173 16.645 -2.255 1.00 4.03 C ATOM 0 H ILE A 86 -0.014 14.855 -0.573 1.00 75.34 H new ATOM 0 HA ILE A 86 -0.853 17.510 -1.176 1.00 23.41 H new ATOM 0 HB ILE A 86 -1.898 15.451 0.791 1.00 41.33 H new ATOM 0 HG12 ILE A 86 -2.198 14.864 -1.588 1.00 21.13 H new ATOM 0 HG13 ILE A 86 -3.739 15.173 -0.812 1.00 21.13 H new ATOM 0 HG21 ILE A 86 -3.924 16.896 1.045 1.00 13.04 H new ATOM 0 HG22 ILE A 86 -2.460 17.688 1.676 1.00 13.04 H new ATOM 0 HG23 ILE A 86 -3.121 18.170 0.096 1.00 13.04 H new ATOM 0 HD11 ILE A 86 -3.685 16.128 -3.066 1.00 4.03 H new ATOM 0 HD12 ILE A 86 -3.826 17.418 -1.849 1.00 4.03 H new ATOM 0 HD13 ILE A 86 -2.261 17.104 -2.636 1.00 4.03 H new ATOM 1372 N GLU A 87 0.203 18.891 0.644 1.00 3.23 N ATOM 1373 CA GLU A 87 0.817 19.771 1.644 1.00 72.52 C ATOM 1374 C GLU A 87 -0.152 19.985 2.825 1.00 31.42 C ATOM 1375 O GLU A 87 -1.267 20.491 2.634 1.00 35.24 O ATOM 1376 CB GLU A 87 1.190 21.103 0.956 1.00 64.23 C ATOM 1377 CG GLU A 87 2.176 20.932 -0.226 1.00 30.33 C ATOM 1378 CD GLU A 87 2.274 22.180 -1.114 1.00 62.25 C ATOM 1379 OE1 GLU A 87 1.417 22.355 -2.001 1.00 30.21 O ATOM 1380 OE2 GLU A 87 3.193 22.999 -0.927 1.00 33.35 O ATOM 0 H GLU A 87 -0.008 19.362 -0.236 1.00 3.23 H new ATOM 0 HA GLU A 87 1.722 19.320 2.050 1.00 72.52 H new ATOM 0 HB2 GLU A 87 0.281 21.583 0.594 1.00 64.23 H new ATOM 0 HB3 GLU A 87 1.632 21.773 1.694 1.00 64.23 H new ATOM 0 HG2 GLU A 87 3.165 20.693 0.165 1.00 30.33 H new ATOM 0 HG3 GLU A 87 1.861 20.084 -0.834 1.00 30.33 H new ATOM 1387 N GLN A 88 0.275 19.547 4.027 1.00 55.11 N ATOM 1388 CA GLN A 88 -0.553 19.554 5.247 1.00 34.10 C ATOM 1389 C GLN A 88 -0.793 20.992 5.734 1.00 31.31 C ATOM 1390 O GLN A 88 0.046 21.588 6.418 1.00 14.35 O ATOM 1391 CB GLN A 88 0.109 18.691 6.361 1.00 53.11 C ATOM 1392 CG GLN A 88 0.337 17.208 5.985 1.00 2.40 C ATOM 1393 CD GLN A 88 -0.962 16.452 5.669 1.00 3.00 C ATOM 1394 OE1 GLN A 88 -1.604 15.908 6.562 1.00 74.01 O ATOM 1395 NE2 GLN A 88 -1.343 16.393 4.402 1.00 64.14 N ATOM 0 H GLN A 88 1.213 19.175 4.178 1.00 55.11 H new ATOM 0 HA GLN A 88 -1.522 19.115 5.008 1.00 34.10 H new ATOM 0 HB2 GLN A 88 1.069 19.136 6.623 1.00 53.11 H new ATOM 0 HB3 GLN A 88 -0.516 18.733 7.253 1.00 53.11 H new ATOM 0 HG2 GLN A 88 0.998 17.158 5.119 1.00 2.40 H new ATOM 0 HG3 GLN A 88 0.849 16.707 6.806 1.00 2.40 H new ATOM 0 HE21 GLN A 88 -0.789 16.855 3.681 1.00 64.14 H new ATOM 0 HE22 GLN A 88 -2.190 15.885 4.147 1.00 64.14 H new ATOM 1404 N GLY A 89 -1.931 21.540 5.304 1.00 24.41 N ATOM 1405 CA GLY A 89 -2.358 22.879 5.671 1.00 53.44 C ATOM 1406 C GLY A 89 -3.673 23.239 5.011 1.00 31.35 C ATOM 1407 O GLY A 89 -4.100 22.566 4.059 1.00 62.55 O ATOM 0 H GLY A 89 -2.583 21.057 4.686 1.00 24.41 H new ATOM 0 HA2 GLY A 89 -2.462 22.945 6.754 1.00 53.44 H new ATOM 0 HA3 GLY A 89 -1.593 23.599 5.380 1.00 53.44 H new ATOM 1411 N GLY A 90 -4.323 24.287 5.533 1.00 13.12 N ATOM 1412 CA GLY A 90 -5.566 24.814 4.961 1.00 30.34 C ATOM 1413 C GLY A 90 -5.337 25.515 3.627 1.00 72.05 C ATOM 1414 O GLY A 90 -5.155 26.736 3.580 1.00 64.02 O ATOM 0 H GLY A 90 -4.003 24.791 6.360 1.00 13.12 H new ATOM 0 HA2 GLY A 90 -6.275 23.997 4.823 1.00 30.34 H new ATOM 0 HA3 GLY A 90 -6.019 25.514 5.664 1.00 30.34 H new ATOM 1418 N LEU A 91 -5.298 24.721 2.549 1.00 22.31 N ATOM 1419 CA LEU A 91 -5.060 25.197 1.173 1.00 21.12 C ATOM 1420 C LEU A 91 -6.297 24.908 0.299 1.00 52.41 C ATOM 1421 O LEU A 91 -7.217 24.198 0.729 1.00 2.24 O ATOM 1422 CB LEU A 91 -3.786 24.512 0.592 1.00 22.21 C ATOM 1423 CG LEU A 91 -2.446 24.762 1.366 1.00 43.05 C ATOM 1424 CD1 LEU A 91 -1.268 24.018 0.713 1.00 23.22 C ATOM 1425 CD2 LEU A 91 -2.135 26.269 1.488 1.00 71.53 C ATOM 0 H LEU A 91 -5.433 23.712 2.606 1.00 22.31 H new ATOM 0 HA LEU A 91 -4.894 26.274 1.181 1.00 21.12 H new ATOM 0 HB2 LEU A 91 -3.963 23.437 0.554 1.00 22.21 H new ATOM 0 HB3 LEU A 91 -3.655 24.850 -0.436 1.00 22.21 H new ATOM 0 HG LEU A 91 -2.580 24.363 2.371 1.00 43.05 H new ATOM 0 HD11 LEU A 91 -0.356 24.215 1.277 1.00 23.22 H new ATOM 0 HD12 LEU A 91 -1.470 22.947 0.712 1.00 23.22 H new ATOM 0 HD13 LEU A 91 -1.142 24.365 -0.313 1.00 23.22 H new ATOM 0 HD21 LEU A 91 -1.199 26.405 2.030 1.00 71.53 H new ATOM 0 HD22 LEU A 91 -2.044 26.703 0.492 1.00 71.53 H new ATOM 0 HD23 LEU A 91 -2.942 26.765 2.028 1.00 71.53 H new ATOM 1437 N VAL A 92 -6.306 25.465 -0.930 1.00 11.03 N ATOM 1438 CA VAL A 92 -7.402 25.261 -1.906 1.00 72.52 C ATOM 1439 C VAL A 92 -7.401 23.809 -2.451 1.00 2.43 C ATOM 1440 O VAL A 92 -8.427 23.307 -2.927 1.00 45.34 O ATOM 1441 CB VAL A 92 -7.289 26.299 -3.094 1.00 52.40 C ATOM 1442 CG1 VAL A 92 -6.061 26.018 -3.998 1.00 1.03 C ATOM 1443 CG2 VAL A 92 -8.595 26.379 -3.925 1.00 75.43 C ATOM 0 H VAL A 92 -5.558 26.067 -1.275 1.00 11.03 H new ATOM 0 HA VAL A 92 -8.347 25.427 -1.389 1.00 72.52 H new ATOM 0 HB VAL A 92 -7.137 27.277 -2.636 1.00 52.40 H new ATOM 0 HG11 VAL A 92 -6.023 26.755 -4.800 1.00 1.03 H new ATOM 0 HG12 VAL A 92 -5.150 26.082 -3.404 1.00 1.03 H new ATOM 0 HG13 VAL A 92 -6.146 25.019 -4.427 1.00 1.03 H new ATOM 0 HG21 VAL A 92 -8.471 27.104 -4.729 1.00 75.43 H new ATOM 0 HG22 VAL A 92 -8.816 25.400 -4.350 1.00 75.43 H new ATOM 0 HG23 VAL A 92 -9.418 26.689 -3.281 1.00 75.43 H new ATOM 1453 N LYS A 93 -6.223 23.155 -2.380 1.00 22.53 N ATOM 1454 CA LYS A 93 -6.026 21.758 -2.814 1.00 44.00 C ATOM 1455 C LYS A 93 -6.739 20.788 -1.836 1.00 22.01 C ATOM 1456 O LYS A 93 -7.001 21.181 -0.685 1.00 42.45 O ATOM 1457 CB LYS A 93 -4.498 21.470 -2.918 1.00 52.30 C ATOM 1458 CG LYS A 93 -3.723 21.464 -1.579 1.00 5.52 C ATOM 1459 CD LYS A 93 -2.185 21.433 -1.792 1.00 51.23 C ATOM 1460 CE LYS A 93 -1.695 20.183 -2.547 1.00 44.22 C ATOM 1461 NZ LYS A 93 -0.301 20.337 -3.035 1.00 60.10 N ATOM 0 H LYS A 93 -5.374 23.587 -2.016 1.00 22.53 H new ATOM 0 HA LYS A 93 -6.470 21.602 -3.797 1.00 44.00 H new ATOM 0 HB2 LYS A 93 -4.362 20.502 -3.400 1.00 52.30 H new ATOM 0 HB3 LYS A 93 -4.050 22.218 -3.572 1.00 52.30 H new ATOM 0 HG2 LYS A 93 -3.991 22.349 -1.002 1.00 5.52 H new ATOM 0 HG3 LYS A 93 -4.024 20.597 -0.991 1.00 5.52 H new ATOM 0 HD2 LYS A 93 -1.885 22.323 -2.345 1.00 51.23 H new ATOM 0 HD3 LYS A 93 -1.691 21.479 -0.822 1.00 51.23 H new ATOM 0 HE2 LYS A 93 -1.755 19.316 -1.889 1.00 44.22 H new ATOM 0 HE3 LYS A 93 -2.355 19.988 -3.392 1.00 44.22 H new ATOM 0 HZ1 LYS A 93 0.232 19.465 -2.844 1.00 60.10 H new ATOM 0 HZ2 LYS A 93 -0.310 20.520 -4.059 1.00 60.10 H new ATOM 0 HZ3 LYS A 93 0.152 21.134 -2.544 1.00 60.10 H new ATOM 1475 N PRO A 94 -7.077 19.517 -2.269 1.00 5.31 N ATOM 1476 CA PRO A 94 -7.868 18.572 -1.437 1.00 64.32 C ATOM 1477 C PRO A 94 -7.194 18.266 -0.081 1.00 32.22 C ATOM 1478 O PRO A 94 -5.972 18.115 0.001 1.00 13.40 O ATOM 1479 CB PRO A 94 -7.973 17.297 -2.325 1.00 45.53 C ATOM 1480 CG PRO A 94 -6.800 17.412 -3.242 1.00 74.24 C ATOM 1481 CD PRO A 94 -6.713 18.884 -3.571 1.00 2.00 C ATOM 0 HA PRO A 94 -8.840 18.983 -1.165 1.00 64.32 H new ATOM 0 HB2 PRO A 94 -7.927 16.387 -1.727 1.00 45.53 H new ATOM 0 HB3 PRO A 94 -8.912 17.269 -2.877 1.00 45.53 H new ATOM 0 HG2 PRO A 94 -5.887 17.059 -2.763 1.00 74.24 H new ATOM 0 HG3 PRO A 94 -6.940 16.813 -4.142 1.00 74.24 H new ATOM 0 HD2 PRO A 94 -5.713 19.170 -3.898 1.00 2.00 H new ATOM 0 HD3 PRO A 94 -7.402 19.165 -4.368 1.00 2.00 H new ATOM 1489 N GLU A 95 -8.033 18.158 0.959 1.00 30.11 N ATOM 1490 CA GLU A 95 -7.604 17.930 2.355 1.00 13.44 C ATOM 1491 C GLU A 95 -7.321 16.434 2.620 1.00 52.41 C ATOM 1492 O GLU A 95 -7.028 16.049 3.763 1.00 15.33 O ATOM 1493 CB GLU A 95 -8.686 18.447 3.345 1.00 24.34 C ATOM 1494 CG GLU A 95 -10.040 17.712 3.247 1.00 61.15 C ATOM 1495 CD GLU A 95 -11.040 18.124 4.341 1.00 74.32 C ATOM 1496 OE1 GLU A 95 -10.981 17.557 5.452 1.00 4.20 O ATOM 1497 OE2 GLU A 95 -11.876 19.020 4.109 1.00 55.22 O ATOM 0 H GLU A 95 -9.046 18.227 0.857 1.00 30.11 H new ATOM 0 HA GLU A 95 -6.679 18.485 2.512 1.00 13.44 H new ATOM 0 HB2 GLU A 95 -8.307 18.351 4.362 1.00 24.34 H new ATOM 0 HB3 GLU A 95 -8.849 19.510 3.165 1.00 24.34 H new ATOM 0 HG2 GLU A 95 -10.481 17.908 2.270 1.00 61.15 H new ATOM 0 HG3 GLU A 95 -9.867 16.638 3.309 1.00 61.15 H new ATOM 1504 N ARG A 96 -7.452 15.594 1.559 1.00 31.12 N ATOM 1505 CA ARG A 96 -7.087 14.167 1.600 1.00 53.53 C ATOM 1506 C ARG A 96 -5.597 14.009 1.958 1.00 22.43 C ATOM 1507 O ARG A 96 -4.781 14.891 1.679 1.00 50.14 O ATOM 1508 CB ARG A 96 -7.367 13.471 0.229 1.00 45.35 C ATOM 1509 CG ARG A 96 -6.464 13.955 -0.931 1.00 15.33 C ATOM 1510 CD ARG A 96 -6.735 13.223 -2.255 1.00 10.33 C ATOM 1511 NE ARG A 96 -5.835 13.685 -3.327 1.00 24.44 N ATOM 1512 CZ ARG A 96 -6.192 13.933 -4.603 1.00 50.13 C ATOM 1513 NH1 ARG A 96 -7.447 13.774 -5.014 1.00 44.31 N ATOM 1514 NH2 ARG A 96 -5.271 14.311 -5.470 1.00 61.31 N ATOM 0 H ARG A 96 -7.815 15.895 0.654 1.00 31.12 H new ATOM 0 HA ARG A 96 -7.701 13.689 2.364 1.00 53.53 H new ATOM 0 HB2 ARG A 96 -7.238 12.395 0.349 1.00 45.35 H new ATOM 0 HB3 ARG A 96 -8.409 13.639 -0.044 1.00 45.35 H new ATOM 0 HG2 ARG A 96 -6.614 15.025 -1.077 1.00 15.33 H new ATOM 0 HG3 ARG A 96 -5.420 13.814 -0.653 1.00 15.33 H new ATOM 0 HD2 ARG A 96 -6.608 12.150 -2.110 1.00 10.33 H new ATOM 0 HD3 ARG A 96 -7.771 13.384 -2.555 1.00 10.33 H new ATOM 0 HE ARG A 96 -4.856 13.830 -3.082 1.00 24.44 H new ATOM 0 HH11 ARG A 96 -8.162 13.458 -4.359 1.00 44.31 H new ATOM 0 HH12 ARG A 96 -7.694 13.968 -5.984 1.00 44.31 H new ATOM 0 HH21 ARG A 96 -4.301 14.413 -5.172 1.00 61.31 H new ATOM 0 HH22 ARG A 96 -5.530 14.501 -6.438 1.00 61.31 H new ATOM 1528 N ASP A 97 -5.248 12.876 2.553 1.00 43.42 N ATOM 1529 CA ASP A 97 -3.852 12.559 2.857 1.00 52.20 C ATOM 1530 C ASP A 97 -3.341 11.661 1.738 1.00 10.24 C ATOM 1531 O ASP A 97 -3.844 10.539 1.565 1.00 61.24 O ATOM 1532 CB ASP A 97 -3.711 11.865 4.240 1.00 42.30 C ATOM 1533 CG ASP A 97 -2.261 11.878 4.776 1.00 25.33 C ATOM 1534 OD1 ASP A 97 -1.427 11.040 4.353 1.00 32.40 O ATOM 1535 OD2 ASP A 97 -1.944 12.736 5.631 1.00 43.11 O ATOM 0 H ASP A 97 -5.913 12.156 2.837 1.00 43.42 H new ATOM 0 HA ASP A 97 -3.263 13.474 2.915 1.00 52.20 H new ATOM 0 HB2 ASP A 97 -4.363 12.362 4.958 1.00 42.30 H new ATOM 0 HB3 ASP A 97 -4.054 10.833 4.160 1.00 42.30 H new ATOM 1540 N ASP A 98 -2.390 12.168 0.942 1.00 11.13 N ATOM 1541 CA ASP A 98 -1.732 11.375 -0.095 1.00 72.15 C ATOM 1542 C ASP A 98 -0.385 10.945 0.454 1.00 14.22 C ATOM 1543 O ASP A 98 0.447 11.792 0.835 1.00 20.10 O ATOM 1544 CB ASP A 98 -1.535 12.161 -1.415 1.00 53.22 C ATOM 1545 CG ASP A 98 -0.864 11.311 -2.521 1.00 40.35 C ATOM 1546 OD1 ASP A 98 0.389 11.257 -2.586 1.00 31.20 O ATOM 1547 OD2 ASP A 98 -1.584 10.688 -3.325 1.00 20.13 O ATOM 0 H ASP A 98 -2.060 13.131 1.001 1.00 11.13 H new ATOM 0 HA ASP A 98 -2.362 10.520 -0.339 1.00 72.15 H new ATOM 0 HB2 ASP A 98 -2.503 12.514 -1.771 1.00 53.22 H new ATOM 0 HB3 ASP A 98 -0.925 13.043 -1.220 1.00 53.22 H new ATOM 1552 N THR A 99 -0.171 9.637 0.494 1.00 2.21 N ATOM 1553 CA THR A 99 1.090 9.060 0.912 1.00 2.54 C ATOM 1554 C THR A 99 1.621 8.167 -0.197 1.00 40.25 C ATOM 1555 O THR A 99 0.907 7.284 -0.684 1.00 12.21 O ATOM 1556 CB THR A 99 0.953 8.232 2.215 1.00 50.50 C ATOM 1557 OG1 THR A 99 0.413 9.059 3.253 1.00 45.21 O ATOM 1558 CG2 THR A 99 2.313 7.667 2.661 1.00 31.15 C ATOM 0 H THR A 99 -0.875 8.946 0.235 1.00 2.21 H new ATOM 0 HA THR A 99 1.780 9.879 1.113 1.00 2.54 H new ATOM 0 HB THR A 99 0.283 7.395 2.020 1.00 50.50 H new ATOM 0 HG1 THR A 99 0.549 10.002 3.024 1.00 45.21 H new ATOM 0 HG21 THR A 99 2.185 7.091 3.577 1.00 31.15 H new ATOM 0 HG22 THR A 99 2.713 7.021 1.879 1.00 31.15 H new ATOM 0 HG23 THR A 99 3.006 8.488 2.843 1.00 31.15 H new ATOM 1566 N GLU A 100 2.871 8.395 -0.570 1.00 41.23 N ATOM 1567 CA GLU A 100 3.585 7.548 -1.498 1.00 30.21 C ATOM 1568 C GLU A 100 4.513 6.660 -0.663 1.00 75.43 C ATOM 1569 O GLU A 100 5.443 7.166 -0.031 1.00 34.40 O ATOM 1570 CB GLU A 100 4.369 8.414 -2.506 1.00 64.32 C ATOM 1571 CG GLU A 100 5.061 7.615 -3.619 1.00 1.12 C ATOM 1572 CD GLU A 100 5.875 8.506 -4.570 1.00 53.22 C ATOM 1573 OE1 GLU A 100 5.265 9.285 -5.323 1.00 22.11 O ATOM 1574 OE2 GLU A 100 7.122 8.434 -4.569 1.00 71.42 O ATOM 0 H GLU A 100 3.420 9.184 -0.230 1.00 41.23 H new ATOM 0 HA GLU A 100 2.907 6.927 -2.082 1.00 30.21 H new ATOM 0 HB2 GLU A 100 3.685 9.131 -2.960 1.00 64.32 H new ATOM 0 HB3 GLU A 100 5.121 8.989 -1.966 1.00 64.32 H new ATOM 0 HG2 GLU A 100 5.720 6.872 -3.171 1.00 1.12 H new ATOM 0 HG3 GLU A 100 4.309 7.071 -4.191 1.00 1.12 H new ATOM 1581 N PHE A 101 4.220 5.354 -0.608 1.00 65.12 N ATOM 1582 CA PHE A 101 5.059 4.385 0.106 1.00 1.33 C ATOM 1583 C PHE A 101 6.028 3.783 -0.909 1.00 23.45 C ATOM 1584 O PHE A 101 5.606 3.183 -1.907 1.00 31.41 O ATOM 1585 CB PHE A 101 4.204 3.272 0.767 1.00 32.24 C ATOM 1586 CG PHE A 101 3.343 3.727 1.948 1.00 14.32 C ATOM 1587 CD1 PHE A 101 3.930 4.023 3.185 1.00 30.45 C ATOM 1588 CD2 PHE A 101 1.950 3.832 1.837 1.00 14.20 C ATOM 1589 CE1 PHE A 101 3.154 4.404 4.267 1.00 25.11 C ATOM 1590 CE2 PHE A 101 1.178 4.218 2.919 1.00 15.04 C ATOM 1591 CZ PHE A 101 1.778 4.502 4.133 1.00 34.21 C ATOM 0 H PHE A 101 3.400 4.942 -1.054 1.00 65.12 H new ATOM 0 HA PHE A 101 5.600 4.885 0.909 1.00 1.33 H new ATOM 0 HB2 PHE A 101 3.552 2.838 0.009 1.00 32.24 H new ATOM 0 HB3 PHE A 101 4.869 2.479 1.107 1.00 32.24 H new ATOM 0 HD1 PHE A 101 5.002 3.953 3.296 1.00 30.45 H new ATOM 0 HD2 PHE A 101 1.472 3.609 0.894 1.00 14.20 H new ATOM 0 HE1 PHE A 101 3.621 4.625 5.215 1.00 25.11 H new ATOM 0 HE2 PHE A 101 0.106 4.298 2.816 1.00 15.04 H new ATOM 0 HZ PHE A 101 1.174 4.800 4.977 1.00 34.21 H new ATOM 1601 N GLN A 102 7.330 3.967 -0.652 1.00 34.32 N ATOM 1602 CA GLN A 102 8.394 3.570 -1.580 1.00 55.05 C ATOM 1603 C GLN A 102 9.357 2.581 -0.913 1.00 75.42 C ATOM 1604 O GLN A 102 9.653 2.691 0.287 1.00 60.30 O ATOM 1605 CB GLN A 102 9.151 4.823 -2.109 1.00 60.30 C ATOM 1606 CG GLN A 102 9.909 5.647 -1.047 1.00 30.23 C ATOM 1607 CD GLN A 102 10.701 6.823 -1.629 1.00 72.21 C ATOM 1608 OE1 GLN A 102 11.154 6.784 -2.776 1.00 75.20 O ATOM 1609 NE2 GLN A 102 10.895 7.862 -0.835 1.00 62.51 N ATOM 0 H GLN A 102 7.674 4.396 0.207 1.00 34.32 H new ATOM 0 HA GLN A 102 7.939 3.066 -2.432 1.00 55.05 H new ATOM 0 HB2 GLN A 102 9.864 4.500 -2.868 1.00 60.30 H new ATOM 0 HB3 GLN A 102 8.432 5.476 -2.604 1.00 60.30 H new ATOM 0 HG2 GLN A 102 9.194 6.028 -0.317 1.00 30.23 H new ATOM 0 HG3 GLN A 102 10.593 4.990 -0.510 1.00 30.23 H new ATOM 0 HE21 GLN A 102 10.507 7.863 0.108 1.00 62.51 H new ATOM 0 HE22 GLN A 102 11.433 8.663 -1.166 1.00 62.51 H new ATOM 1618 N HIS A 103 9.814 1.600 -1.704 1.00 2.12 N ATOM 1619 CA HIS A 103 10.815 0.614 -1.290 1.00 53.34 C ATOM 1620 C HIS A 103 11.652 0.248 -2.531 1.00 41.41 C ATOM 1621 O HIS A 103 11.062 -0.059 -3.570 1.00 74.24 O ATOM 1622 CB HIS A 103 10.126 -0.640 -0.686 1.00 61.10 C ATOM 1623 CG HIS A 103 11.068 -1.569 0.039 1.00 62.54 C ATOM 1624 ND1 HIS A 103 11.660 -2.668 -0.544 1.00 55.22 N ATOM 1625 CD2 HIS A 103 11.540 -1.529 1.306 1.00 25.55 C ATOM 1626 CE1 HIS A 103 12.449 -3.254 0.338 1.00 53.45 C ATOM 1627 NE2 HIS A 103 12.389 -2.580 1.460 1.00 13.44 N ATOM 0 H HIS A 103 9.492 1.470 -2.663 1.00 2.12 H new ATOM 0 HA HIS A 103 11.462 1.026 -0.515 1.00 53.34 H new ATOM 0 HB2 HIS A 103 9.348 -0.317 0.005 1.00 61.10 H new ATOM 0 HB3 HIS A 103 9.633 -1.192 -1.486 1.00 61.10 H new ATOM 0 HD2 HIS A 103 11.288 -0.796 2.058 1.00 25.55 H new ATOM 0 HE1 HIS A 103 13.043 -4.139 0.164 1.00 53.45 H new ATOM 0 HE2 HIS A 103 12.898 -2.808 2.314 1.00 13.44 H new ATOM 1636 N PRO A 104 13.025 0.273 -2.455 1.00 3.53 N ATOM 1637 CA PRO A 104 13.908 0.086 -3.651 1.00 62.51 C ATOM 1638 C PRO A 104 13.769 -1.304 -4.321 1.00 45.45 C ATOM 1639 O PRO A 104 14.102 -1.468 -5.498 1.00 33.14 O ATOM 1640 CB PRO A 104 15.332 0.310 -3.077 1.00 32.50 C ATOM 1641 CG PRO A 104 15.203 -0.002 -1.611 1.00 54.31 C ATOM 1642 CD PRO A 104 13.830 0.495 -1.217 1.00 54.44 C ATOM 0 HA PRO A 104 13.647 0.773 -4.456 1.00 62.51 H new ATOM 0 HB2 PRO A 104 16.061 -0.342 -3.559 1.00 32.50 H new ATOM 0 HB3 PRO A 104 15.667 1.335 -3.236 1.00 32.50 H new ATOM 0 HG2 PRO A 104 15.302 -1.072 -1.426 1.00 54.31 H new ATOM 0 HG3 PRO A 104 15.982 0.495 -1.033 1.00 54.31 H new ATOM 0 HD2 PRO A 104 13.428 -0.060 -0.369 1.00 54.44 H new ATOM 0 HD3 PRO A 104 13.848 1.546 -0.930 1.00 54.44 H new ATOM 1650 N CYS A 105 13.258 -2.288 -3.564 1.00 40.44 N ATOM 1651 CA CYS A 105 12.981 -3.646 -4.077 1.00 3.11 C ATOM 1652 C CYS A 105 11.466 -3.810 -4.359 1.00 41.41 C ATOM 1653 O CYS A 105 10.890 -4.877 -4.151 1.00 21.33 O ATOM 1654 CB CYS A 105 13.496 -4.693 -3.060 1.00 70.15 C ATOM 1655 SG CYS A 105 13.445 -6.404 -3.645 1.00 40.51 S ATOM 0 H CYS A 105 13.024 -2.168 -2.578 1.00 40.44 H new ATOM 0 HA CYS A 105 13.505 -3.803 -5.020 1.00 3.11 H new ATOM 0 HB2 CYS A 105 14.523 -4.445 -2.793 1.00 70.15 H new ATOM 0 HB3 CYS A 105 12.902 -4.617 -2.149 1.00 70.15 H new ATOM 0 HG CYS A 105 12.310 -6.943 -3.312 1.00 40.51 H new ATOM 1661 N PHE A 106 10.826 -2.722 -4.822 1.00 62.43 N ATOM 1662 CA PHE A 106 9.425 -2.727 -5.293 1.00 34.03 C ATOM 1663 C PHE A 106 9.330 -1.889 -6.575 1.00 43.14 C ATOM 1664 O PHE A 106 9.484 -0.666 -6.525 1.00 42.54 O ATOM 1665 CB PHE A 106 8.480 -2.154 -4.194 1.00 23.03 C ATOM 1666 CG PHE A 106 7.014 -1.997 -4.627 1.00 55.42 C ATOM 1667 CD1 PHE A 106 6.177 -3.111 -4.734 1.00 22.25 C ATOM 1668 CD2 PHE A 106 6.476 -0.740 -4.936 1.00 52.35 C ATOM 1669 CE1 PHE A 106 4.858 -2.974 -5.134 1.00 71.45 C ATOM 1670 CE2 PHE A 106 5.161 -0.608 -5.335 1.00 45.41 C ATOM 1671 CZ PHE A 106 4.350 -1.724 -5.435 1.00 74.34 C ATOM 0 H PHE A 106 11.269 -1.805 -4.881 1.00 62.43 H new ATOM 0 HA PHE A 106 9.113 -3.750 -5.503 1.00 34.03 H new ATOM 0 HB2 PHE A 106 8.519 -2.808 -3.323 1.00 23.03 H new ATOM 0 HB3 PHE A 106 8.858 -1.181 -3.880 1.00 23.03 H new ATOM 0 HD1 PHE A 106 6.564 -4.092 -4.502 1.00 22.25 H new ATOM 0 HD2 PHE A 106 7.100 0.139 -4.861 1.00 52.35 H new ATOM 0 HE1 PHE A 106 4.225 -3.846 -5.211 1.00 71.45 H new ATOM 0 HE2 PHE A 106 4.765 0.369 -5.570 1.00 45.41 H new ATOM 0 HZ PHE A 106 3.322 -1.619 -5.748 1.00 74.34 H new ATOM 1681 N LEU A 107 9.122 -2.546 -7.725 1.00 53.13 N ATOM 1682 CA LEU A 107 8.888 -1.855 -9.001 1.00 41.11 C ATOM 1683 C LEU A 107 7.495 -2.213 -9.543 1.00 0.24 C ATOM 1684 O LEU A 107 7.332 -3.302 -10.099 1.00 62.31 O ATOM 1685 CB LEU A 107 9.973 -2.278 -10.025 1.00 10.05 C ATOM 1686 CG LEU A 107 11.450 -1.979 -9.632 1.00 13.03 C ATOM 1687 CD1 LEU A 107 12.421 -2.564 -10.673 1.00 55.24 C ATOM 1688 CD2 LEU A 107 11.675 -0.462 -9.428 1.00 2.25 C ATOM 0 H LEU A 107 9.111 -3.563 -7.797 1.00 53.13 H new ATOM 0 HA LEU A 107 8.940 -0.778 -8.841 1.00 41.11 H new ATOM 0 HB2 LEU A 107 9.877 -3.349 -10.202 1.00 10.05 H new ATOM 0 HB3 LEU A 107 9.763 -1.779 -10.971 1.00 10.05 H new ATOM 0 HG LEU A 107 11.656 -2.467 -8.679 1.00 13.03 H new ATOM 0 HD11 LEU A 107 13.447 -2.343 -10.378 1.00 55.24 H new ATOM 0 HD12 LEU A 107 12.285 -3.644 -10.731 1.00 55.24 H new ATOM 0 HD13 LEU A 107 12.220 -2.120 -11.648 1.00 55.24 H new ATOM 0 HD21 LEU A 107 12.715 -0.282 -9.154 1.00 2.25 H new ATOM 0 HD22 LEU A 107 11.446 0.067 -10.353 1.00 2.25 H new ATOM 0 HD23 LEU A 107 11.023 -0.101 -8.633 1.00 2.25 H new ATOM 1700 N ARG A 108 6.530 -1.255 -9.426 1.00 42.30 N ATOM 1701 CA ARG A 108 5.136 -1.358 -9.943 1.00 72.51 C ATOM 1702 C ARG A 108 4.421 -2.654 -9.481 1.00 50.32 C ATOM 1703 O ARG A 108 3.629 -2.638 -8.526 1.00 5.30 O ATOM 1704 CB ARG A 108 5.124 -1.215 -11.500 1.00 44.53 C ATOM 1705 CG ARG A 108 3.747 -1.440 -12.184 1.00 64.33 C ATOM 1706 CD ARG A 108 3.844 -1.432 -13.723 1.00 54.11 C ATOM 1707 NE ARG A 108 2.642 -2.000 -14.365 1.00 32.32 N ATOM 1708 CZ ARG A 108 2.623 -2.623 -15.558 1.00 75.11 C ATOM 1709 NH1 ARG A 108 3.742 -2.778 -16.263 1.00 32.54 N ATOM 1710 NH2 ARG A 108 1.484 -3.114 -16.027 1.00 72.34 N ATOM 0 H ARG A 108 6.707 -0.367 -8.957 1.00 42.30 H new ATOM 0 HA ARG A 108 4.566 -0.533 -9.514 1.00 72.51 H new ATOM 0 HB2 ARG A 108 5.479 -0.217 -11.758 1.00 44.53 H new ATOM 0 HB3 ARG A 108 5.838 -1.925 -11.918 1.00 44.53 H new ATOM 0 HG2 ARG A 108 3.332 -2.393 -11.854 1.00 64.33 H new ATOM 0 HG3 ARG A 108 3.054 -0.662 -11.863 1.00 64.33 H new ATOM 0 HD2 ARG A 108 3.989 -0.409 -14.070 1.00 54.11 H new ATOM 0 HD3 ARG A 108 4.721 -2.001 -14.032 1.00 54.11 H new ATOM 0 HE ARG A 108 1.757 -1.914 -13.866 1.00 32.32 H new ATOM 0 HH11 ARG A 108 4.627 -2.423 -15.900 1.00 32.54 H new ATOM 0 HH12 ARG A 108 3.714 -3.252 -17.166 1.00 32.54 H new ATOM 0 HH21 ARG A 108 0.626 -3.019 -15.484 1.00 72.34 H new ATOM 0 HH22 ARG A 108 1.466 -3.587 -16.931 1.00 72.34 H new ATOM 1724 N GLY A 109 4.729 -3.772 -10.169 1.00 32.43 N ATOM 1725 CA GLY A 109 4.170 -5.071 -9.872 1.00 13.33 C ATOM 1726 C GLY A 109 5.187 -6.169 -10.027 1.00 12.04 C ATOM 1727 O GLY A 109 4.890 -7.237 -10.579 1.00 4.35 O ATOM 0 H GLY A 109 5.382 -3.780 -10.952 1.00 32.43 H new ATOM 0 HA2 GLY A 109 3.784 -5.075 -8.853 1.00 13.33 H new ATOM 0 HA3 GLY A 109 3.325 -5.263 -10.534 1.00 13.33 H new ATOM 1731 N GLN A 110 6.403 -5.892 -9.543 1.00 50.51 N ATOM 1732 CA GLN A 110 7.484 -6.873 -9.477 1.00 62.04 C ATOM 1733 C GLN A 110 7.248 -7.705 -8.205 1.00 40.25 C ATOM 1734 O GLN A 110 7.877 -7.488 -7.163 1.00 40.34 O ATOM 1735 CB GLN A 110 8.884 -6.156 -9.490 1.00 70.52 C ATOM 1736 CG GLN A 110 9.959 -6.848 -10.358 1.00 54.54 C ATOM 1737 CD GLN A 110 9.659 -6.852 -11.863 1.00 23.44 C ATOM 1738 OE1 GLN A 110 10.000 -7.801 -12.572 1.00 12.54 O ATOM 1739 NE2 GLN A 110 9.072 -5.776 -12.375 1.00 50.40 N ATOM 0 H GLN A 110 6.663 -4.973 -9.184 1.00 50.51 H new ATOM 0 HA GLN A 110 7.488 -7.531 -10.346 1.00 62.04 H new ATOM 0 HB2 GLN A 110 8.750 -5.135 -9.848 1.00 70.52 H new ATOM 0 HB3 GLN A 110 9.252 -6.089 -8.466 1.00 70.52 H new ATOM 0 HG2 GLN A 110 10.915 -6.352 -10.193 1.00 54.54 H new ATOM 0 HG3 GLN A 110 10.072 -7.878 -10.021 1.00 54.54 H new ATOM 0 HE21 GLN A 110 8.800 -5.005 -11.765 1.00 50.40 H new ATOM 0 HE22 GLN A 110 8.893 -5.721 -13.378 1.00 50.40 H new ATOM 1748 N GLU A 111 6.238 -8.583 -8.303 1.00 63.44 N ATOM 1749 CA GLU A 111 5.696 -9.373 -7.185 1.00 22.42 C ATOM 1750 C GLU A 111 6.735 -10.322 -6.572 1.00 31.44 C ATOM 1751 O GLU A 111 6.702 -10.583 -5.370 1.00 14.12 O ATOM 1752 CB GLU A 111 4.429 -10.141 -7.658 1.00 53.12 C ATOM 1753 CG GLU A 111 4.627 -10.963 -8.951 1.00 75.13 C ATOM 1754 CD GLU A 111 3.364 -11.715 -9.403 1.00 3.20 C ATOM 1755 OE1 GLU A 111 2.360 -11.054 -9.754 1.00 12.12 O ATOM 1756 OE2 GLU A 111 3.372 -12.966 -9.433 1.00 51.14 O ATOM 0 H GLU A 111 5.762 -8.769 -9.186 1.00 63.44 H new ATOM 0 HA GLU A 111 5.420 -8.682 -6.388 1.00 22.42 H new ATOM 0 HB2 GLU A 111 4.107 -10.812 -6.861 1.00 53.12 H new ATOM 0 HB3 GLU A 111 3.623 -9.425 -7.817 1.00 53.12 H new ATOM 0 HG2 GLU A 111 4.947 -10.295 -9.751 1.00 75.13 H new ATOM 0 HG3 GLU A 111 5.431 -11.682 -8.795 1.00 75.13 H new ATOM 1763 N GLN A 112 7.674 -10.812 -7.392 1.00 42.04 N ATOM 1764 CA GLN A 112 8.752 -11.695 -6.921 1.00 33.40 C ATOM 1765 C GLN A 112 9.756 -10.937 -6.020 1.00 44.21 C ATOM 1766 O GLN A 112 10.539 -11.563 -5.312 1.00 4.20 O ATOM 1767 CB GLN A 112 9.507 -12.377 -8.108 1.00 10.23 C ATOM 1768 CG GLN A 112 10.486 -11.476 -8.914 1.00 51.14 C ATOM 1769 CD GLN A 112 9.854 -10.593 -9.997 1.00 4.32 C ATOM 1770 OE1 GLN A 112 8.708 -10.167 -9.907 1.00 72.12 O ATOM 1771 NE2 GLN A 112 10.622 -10.303 -11.039 1.00 71.23 N ATOM 0 H GLN A 112 7.709 -10.611 -8.391 1.00 42.04 H new ATOM 0 HA GLN A 112 8.276 -12.476 -6.328 1.00 33.40 H new ATOM 0 HB2 GLN A 112 10.068 -13.224 -7.714 1.00 10.23 H new ATOM 0 HB3 GLN A 112 8.766 -12.779 -8.799 1.00 10.23 H new ATOM 0 HG2 GLN A 112 11.016 -10.832 -8.212 1.00 51.14 H new ATOM 0 HG3 GLN A 112 11.232 -12.116 -9.385 1.00 51.14 H new ATOM 0 HE21 GLN A 112 11.572 -10.670 -11.090 1.00 71.23 H new ATOM 0 HE22 GLN A 112 10.262 -9.713 -11.789 1.00 71.23 H new ATOM 1780 N LEU A 113 9.744 -9.587 -6.065 1.00 40.21 N ATOM 1781 CA LEU A 113 10.635 -8.762 -5.228 1.00 70.11 C ATOM 1782 C LEU A 113 10.009 -8.478 -3.847 1.00 64.34 C ATOM 1783 O LEU A 113 10.720 -8.067 -2.923 1.00 61.14 O ATOM 1784 CB LEU A 113 11.021 -7.441 -5.948 1.00 53.12 C ATOM 1785 CG LEU A 113 11.872 -7.577 -7.250 1.00 15.44 C ATOM 1786 CD1 LEU A 113 12.345 -6.191 -7.742 1.00 73.43 C ATOM 1787 CD2 LEU A 113 13.067 -8.537 -7.059 1.00 51.41 C ATOM 0 H LEU A 113 9.127 -9.048 -6.672 1.00 40.21 H new ATOM 0 HA LEU A 113 11.549 -9.333 -5.065 1.00 70.11 H new ATOM 0 HB2 LEU A 113 10.103 -6.907 -6.195 1.00 53.12 H new ATOM 0 HB3 LEU A 113 11.573 -6.818 -5.244 1.00 53.12 H new ATOM 0 HG LEU A 113 11.231 -8.012 -8.016 1.00 15.44 H new ATOM 0 HD11 LEU A 113 12.936 -6.310 -8.650 1.00 73.43 H new ATOM 0 HD12 LEU A 113 11.478 -5.564 -7.952 1.00 73.43 H new ATOM 0 HD13 LEU A 113 12.955 -5.720 -6.971 1.00 73.43 H new ATOM 0 HD21 LEU A 113 13.633 -8.603 -7.988 1.00 51.41 H new ATOM 0 HD22 LEU A 113 13.714 -8.160 -6.267 1.00 51.41 H new ATOM 0 HD23 LEU A 113 12.699 -9.526 -6.787 1.00 51.41 H new ATOM 1799 N LEU A 114 8.688 -8.729 -3.706 1.00 73.23 N ATOM 1800 CA LEU A 114 7.965 -8.549 -2.425 1.00 73.21 C ATOM 1801 C LEU A 114 8.489 -9.509 -1.335 1.00 13.44 C ATOM 1802 O LEU A 114 8.544 -9.149 -0.158 1.00 51.03 O ATOM 1803 CB LEU A 114 6.445 -8.753 -2.623 1.00 70.33 C ATOM 1804 CG LEU A 114 5.716 -7.714 -3.532 1.00 25.02 C ATOM 1805 CD1 LEU A 114 4.254 -8.127 -3.774 1.00 21.01 C ATOM 1806 CD2 LEU A 114 5.794 -6.289 -2.937 1.00 24.22 C ATOM 0 H LEU A 114 8.097 -9.059 -4.469 1.00 73.23 H new ATOM 0 HA LEU A 114 8.147 -7.528 -2.091 1.00 73.21 H new ATOM 0 HB2 LEU A 114 6.286 -9.746 -3.044 1.00 70.33 H new ATOM 0 HB3 LEU A 114 5.969 -8.742 -1.643 1.00 70.33 H new ATOM 0 HG LEU A 114 6.230 -7.699 -4.493 1.00 25.02 H new ATOM 0 HD11 LEU A 114 3.767 -7.387 -4.410 1.00 21.01 H new ATOM 0 HD12 LEU A 114 4.227 -9.100 -4.264 1.00 21.01 H new ATOM 0 HD13 LEU A 114 3.730 -8.186 -2.820 1.00 21.01 H new ATOM 0 HD21 LEU A 114 5.277 -5.591 -3.595 1.00 24.22 H new ATOM 0 HD22 LEU A 114 5.322 -6.279 -1.954 1.00 24.22 H new ATOM 0 HD23 LEU A 114 6.838 -5.991 -2.841 1.00 24.22 H new ATOM 1818 N GLU A 115 8.906 -10.723 -1.739 1.00 5.13 N ATOM 1819 CA GLU A 115 9.458 -11.732 -0.807 1.00 54.03 C ATOM 1820 C GLU A 115 10.888 -11.374 -0.338 1.00 22.15 C ATOM 1821 O GLU A 115 11.454 -12.071 0.511 1.00 53.23 O ATOM 1822 CB GLU A 115 9.449 -13.125 -1.460 1.00 54.34 C ATOM 1823 CG GLU A 115 10.311 -13.246 -2.722 1.00 11.15 C ATOM 1824 CD GLU A 115 10.360 -14.675 -3.269 1.00 25.02 C ATOM 1825 OE1 GLU A 115 9.478 -15.047 -4.055 1.00 32.13 O ATOM 1826 OE2 GLU A 115 11.257 -15.443 -2.878 1.00 54.11 O ATOM 0 H GLU A 115 8.872 -11.033 -2.710 1.00 5.13 H new ATOM 0 HA GLU A 115 8.817 -11.741 0.075 1.00 54.03 H new ATOM 0 HB2 GLU A 115 9.794 -13.856 -0.729 1.00 54.34 H new ATOM 0 HB3 GLU A 115 8.421 -13.387 -1.712 1.00 54.34 H new ATOM 0 HG2 GLU A 115 9.918 -12.580 -3.491 1.00 11.15 H new ATOM 0 HG3 GLU A 115 11.324 -12.912 -2.498 1.00 11.15 H new ATOM 1833 N ASN A 116 11.469 -10.301 -0.914 1.00 21.03 N ATOM 1834 CA ASN A 116 12.791 -9.762 -0.510 1.00 52.23 C ATOM 1835 C ASN A 116 12.592 -8.511 0.376 1.00 23.44 C ATOM 1836 O ASN A 116 13.552 -7.968 0.934 1.00 22.24 O ATOM 1837 CB ASN A 116 13.635 -9.419 -1.767 1.00 41.55 C ATOM 1838 CG ASN A 116 13.820 -10.616 -2.704 1.00 4.23 C ATOM 1839 OD1 ASN A 116 14.788 -11.366 -2.611 1.00 31.22 O ATOM 1840 ND2 ASN A 116 12.867 -10.819 -3.594 1.00 71.54 N ATOM 0 H ASN A 116 11.035 -9.780 -1.676 1.00 21.03 H new ATOM 0 HA ASN A 116 13.329 -10.516 0.065 1.00 52.23 H new ATOM 0 HB2 ASN A 116 13.152 -8.608 -2.312 1.00 41.55 H new ATOM 0 HB3 ASN A 116 14.613 -9.055 -1.453 1.00 41.55 H new ATOM 0 HD21 ASN A 116 12.923 -11.616 -4.228 1.00 71.54 H new ATOM 0 HD22 ASN A 116 12.075 -10.179 -3.648 1.00 71.54 H new ATOM 1847 N ILE A 117 11.319 -8.072 0.494 1.00 65.04 N ATOM 1848 CA ILE A 117 10.904 -6.973 1.379 1.00 15.42 C ATOM 1849 C ILE A 117 10.525 -7.598 2.736 1.00 73.02 C ATOM 1850 O ILE A 117 9.539 -8.343 2.827 1.00 50.33 O ATOM 1851 CB ILE A 117 9.683 -6.176 0.771 1.00 64.23 C ATOM 1852 CG1 ILE A 117 10.019 -5.676 -0.668 1.00 41.04 C ATOM 1853 CG2 ILE A 117 9.265 -5.000 1.688 1.00 42.20 C ATOM 1854 CD1 ILE A 117 8.923 -4.863 -1.344 1.00 23.24 C ATOM 0 H ILE A 117 10.545 -8.479 -0.031 1.00 65.04 H new ATOM 0 HA ILE A 117 11.718 -6.257 1.496 1.00 15.42 H new ATOM 0 HB ILE A 117 8.834 -6.856 0.707 1.00 64.23 H new ATOM 0 HG12 ILE A 117 10.924 -5.070 -0.623 1.00 41.04 H new ATOM 0 HG13 ILE A 117 10.246 -6.540 -1.292 1.00 41.04 H new ATOM 0 HG21 ILE A 117 8.423 -4.472 1.241 1.00 42.20 H new ATOM 0 HG22 ILE A 117 8.974 -5.386 2.665 1.00 42.20 H new ATOM 0 HG23 ILE A 117 10.103 -4.313 1.804 1.00 42.20 H new ATOM 0 HD11 ILE A 117 9.253 -4.563 -2.338 1.00 23.24 H new ATOM 0 HD12 ILE A 117 8.021 -5.469 -1.429 1.00 23.24 H new ATOM 0 HD13 ILE A 117 8.709 -3.975 -0.749 1.00 23.24 H new ATOM 1866 N LYS A 118 11.330 -7.318 3.776 1.00 22.41 N ATOM 1867 CA LYS A 118 11.270 -8.038 5.069 1.00 2.02 C ATOM 1868 C LYS A 118 10.519 -7.218 6.123 1.00 64.43 C ATOM 1869 O LYS A 118 10.765 -6.025 6.250 1.00 75.52 O ATOM 1870 CB LYS A 118 12.705 -8.353 5.562 1.00 44.10 C ATOM 1871 CG LYS A 118 13.588 -9.213 4.610 1.00 34.02 C ATOM 1872 CD LYS A 118 13.155 -10.709 4.481 1.00 42.22 C ATOM 1873 CE LYS A 118 12.039 -10.958 3.451 1.00 21.33 C ATOM 1874 NZ LYS A 118 11.710 -12.396 3.316 1.00 71.53 N ATOM 0 H LYS A 118 12.041 -6.588 3.748 1.00 22.41 H new ATOM 0 HA LYS A 118 10.727 -8.971 4.917 1.00 2.02 H new ATOM 0 HB2 LYS A 118 13.219 -7.409 5.746 1.00 44.10 H new ATOM 0 HB3 LYS A 118 12.632 -8.868 6.520 1.00 44.10 H new ATOM 0 HG2 LYS A 118 13.575 -8.760 3.619 1.00 34.02 H new ATOM 0 HG3 LYS A 118 14.618 -9.178 4.964 1.00 34.02 H new ATOM 0 HD2 LYS A 118 14.026 -11.305 4.207 1.00 42.22 H new ATOM 0 HD3 LYS A 118 12.820 -11.064 5.456 1.00 42.22 H new ATOM 0 HE2 LYS A 118 11.145 -10.409 3.747 1.00 21.33 H new ATOM 0 HE3 LYS A 118 12.348 -10.566 2.482 1.00 21.33 H new ATOM 0 HZ1 LYS A 118 11.529 -12.618 2.316 1.00 71.53 H new ATOM 0 HZ2 LYS A 118 12.508 -12.968 3.659 1.00 71.53 H new ATOM 0 HZ3 LYS A 118 10.862 -12.612 3.878 1.00 71.53 H new ATOM 1888 N ARG A 119 9.633 -7.884 6.905 1.00 34.30 N ATOM 1889 CA ARG A 119 8.848 -7.236 8.002 1.00 73.01 C ATOM 1890 C ARG A 119 9.639 -7.125 9.319 1.00 71.14 C ATOM 1891 O ARG A 119 9.050 -6.953 10.396 1.00 4.40 O ATOM 1892 CB ARG A 119 7.494 -7.965 8.232 1.00 4.14 C ATOM 1893 CG ARG A 119 7.593 -9.486 8.462 1.00 20.44 C ATOM 1894 CD ARG A 119 6.212 -10.156 8.616 1.00 34.21 C ATOM 1895 NE ARG A 119 6.318 -11.626 8.667 1.00 2.44 N ATOM 1896 CZ ARG A 119 5.639 -12.438 9.495 1.00 43.31 C ATOM 1897 NH1 ARG A 119 4.778 -11.950 10.393 1.00 73.14 N ATOM 1898 NH2 ARG A 119 5.810 -13.744 9.399 1.00 60.23 N ATOM 0 H ARG A 119 9.439 -8.880 6.799 1.00 34.30 H new ATOM 0 HA ARG A 119 8.643 -6.218 7.671 1.00 73.01 H new ATOM 0 HB2 ARG A 119 7.001 -7.516 9.094 1.00 4.14 H new ATOM 0 HB3 ARG A 119 6.853 -7.786 7.369 1.00 4.14 H new ATOM 0 HG2 ARG A 119 8.122 -9.942 7.625 1.00 20.44 H new ATOM 0 HG3 ARG A 119 8.186 -9.676 9.356 1.00 20.44 H new ATOM 0 HD2 ARG A 119 5.732 -9.795 9.526 1.00 34.21 H new ATOM 0 HD3 ARG A 119 5.573 -9.867 7.782 1.00 34.21 H new ATOM 0 HE ARG A 119 6.966 -12.067 8.014 1.00 2.44 H new ATOM 0 HH11 ARG A 119 4.626 -10.944 10.459 1.00 73.14 H new ATOM 0 HH12 ARG A 119 4.273 -12.584 11.012 1.00 73.14 H new ATOM 0 HH21 ARG A 119 6.451 -14.125 8.703 1.00 60.23 H new ATOM 0 HH22 ARG A 119 5.301 -14.372 10.021 1.00 60.23 H new ATOM 1912 N LYS A 120 10.970 -7.216 9.236 1.00 10.35 N ATOM 1913 CA LYS A 120 11.868 -6.801 10.318 1.00 3.43 C ATOM 1914 C LYS A 120 12.476 -5.460 9.922 1.00 1.43 C ATOM 1915 O LYS A 120 12.957 -5.297 8.793 1.00 73.40 O ATOM 1916 CB LYS A 120 12.968 -7.856 10.593 1.00 64.11 C ATOM 1917 CG LYS A 120 12.413 -9.236 10.978 1.00 11.55 C ATOM 1918 CD LYS A 120 11.500 -9.204 12.230 1.00 74.32 C ATOM 1919 CE LYS A 120 10.864 -10.572 12.523 1.00 30.10 C ATOM 1920 NZ LYS A 120 9.956 -10.524 13.696 1.00 25.51 N ATOM 0 H LYS A 120 11.455 -7.580 8.416 1.00 10.35 H new ATOM 0 HA LYS A 120 11.306 -6.705 11.247 1.00 3.43 H new ATOM 0 HB2 LYS A 120 13.591 -7.959 9.705 1.00 64.11 H new ATOM 0 HB3 LYS A 120 13.613 -7.496 11.395 1.00 64.11 H new ATOM 0 HG2 LYS A 120 11.850 -9.641 10.137 1.00 11.55 H new ATOM 0 HG3 LYS A 120 13.245 -9.916 11.161 1.00 11.55 H new ATOM 0 HD2 LYS A 120 12.083 -8.884 13.094 1.00 74.32 H new ATOM 0 HD3 LYS A 120 10.713 -8.464 12.084 1.00 74.32 H new ATOM 0 HE2 LYS A 120 10.308 -10.908 11.648 1.00 30.10 H new ATOM 0 HE3 LYS A 120 11.650 -11.306 12.703 1.00 30.10 H new ATOM 0 HZ1 LYS A 120 9.549 -11.467 13.858 1.00 25.51 H new ATOM 0 HZ2 LYS A 120 10.491 -10.228 14.537 1.00 25.51 H new ATOM 0 HZ3 LYS A 120 9.191 -9.843 13.515 1.00 25.51 H new ATOM 1934 N VAL A 121 12.452 -4.524 10.867 1.00 61.24 N ATOM 1935 CA VAL A 121 12.845 -3.127 10.655 1.00 50.00 C ATOM 1936 C VAL A 121 14.387 -3.008 10.710 1.00 4.44 C ATOM 1937 O VAL A 121 15.003 -2.663 11.729 1.00 15.35 O ATOM 1938 CB VAL A 121 12.091 -2.153 11.656 1.00 44.22 C ATOM 1939 CG1 VAL A 121 12.271 -2.573 13.139 1.00 30.43 C ATOM 1940 CG2 VAL A 121 12.496 -0.674 11.425 1.00 13.12 C ATOM 0 H VAL A 121 12.153 -4.716 11.823 1.00 61.24 H new ATOM 0 HA VAL A 121 12.534 -2.806 9.661 1.00 50.00 H new ATOM 0 HB VAL A 121 11.027 -2.240 11.436 1.00 44.22 H new ATOM 0 HG11 VAL A 121 11.736 -1.875 13.782 1.00 30.43 H new ATOM 0 HG12 VAL A 121 11.873 -3.577 13.284 1.00 30.43 H new ATOM 0 HG13 VAL A 121 13.331 -2.562 13.394 1.00 30.43 H new ATOM 0 HG21 VAL A 121 11.960 -0.036 12.128 1.00 13.12 H new ATOM 0 HG22 VAL A 121 13.569 -0.562 11.579 1.00 13.12 H new ATOM 0 HG23 VAL A 121 12.243 -0.383 10.405 1.00 13.12 H new ATOM 1950 N THR A 122 14.989 -3.409 9.585 1.00 3.44 N ATOM 1951 CA THR A 122 16.444 -3.365 9.341 1.00 53.52 C ATOM 1952 C THR A 122 16.904 -1.917 8.996 1.00 50.33 C ATOM 1953 O THR A 122 17.517 -1.650 7.958 1.00 25.23 O ATOM 1954 CB THR A 122 16.840 -4.419 8.224 1.00 53.43 C ATOM 1955 OG1 THR A 122 18.264 -4.424 7.992 1.00 53.54 O ATOM 1956 CG2 THR A 122 16.097 -4.195 6.883 1.00 43.34 C ATOM 0 H THR A 122 14.467 -3.785 8.793 1.00 3.44 H new ATOM 0 HA THR A 122 16.972 -3.647 10.252 1.00 53.52 H new ATOM 0 HB THR A 122 16.530 -5.389 8.612 1.00 53.43 H new ATOM 0 HG1 THR A 122 18.564 -3.516 7.776 1.00 53.54 H new ATOM 0 HG21 THR A 122 16.413 -4.949 6.162 1.00 43.34 H new ATOM 0 HG22 THR A 122 15.022 -4.275 7.045 1.00 43.34 H new ATOM 0 HG23 THR A 122 16.333 -3.203 6.498 1.00 43.34 H new ATOM 1964 N SER A 123 16.615 -0.984 9.922 1.00 15.33 N ATOM 1965 CA SER A 123 16.918 0.445 9.758 1.00 74.11 C ATOM 1966 C SER A 123 16.861 1.130 11.134 1.00 71.25 C ATOM 1967 O SER A 123 16.024 0.762 11.979 1.00 23.43 O ATOM 1968 CB SER A 123 15.916 1.103 8.771 1.00 54.41 C ATOM 1969 OG SER A 123 16.284 2.435 8.451 1.00 43.15 O ATOM 0 H SER A 123 16.162 -1.204 10.809 1.00 15.33 H new ATOM 0 HA SER A 123 17.918 0.561 9.341 1.00 74.11 H new ATOM 0 HB2 SER A 123 15.865 0.511 7.857 1.00 54.41 H new ATOM 0 HB3 SER A 123 14.918 1.098 9.210 1.00 54.41 H new ATOM 0 HG SER A 123 15.630 2.814 7.827 1.00 43.15 H new ATOM 1975 N VAL A 124 17.768 2.101 11.367 1.00 2.13 N ATOM 1976 CA VAL A 124 17.842 2.844 12.638 1.00 23.44 C ATOM 1977 C VAL A 124 16.628 3.800 12.776 1.00 60.41 C ATOM 1978 O VAL A 124 16.597 4.895 12.200 1.00 42.23 O ATOM 1979 CB VAL A 124 19.227 3.593 12.806 1.00 3.33 C ATOM 1980 CG1 VAL A 124 20.374 2.570 13.019 1.00 21.51 C ATOM 1981 CG2 VAL A 124 19.552 4.519 11.602 1.00 71.55 C ATOM 0 H VAL A 124 18.466 2.390 10.682 1.00 2.13 H new ATOM 0 HA VAL A 124 17.791 2.126 13.457 1.00 23.44 H new ATOM 0 HB VAL A 124 19.140 4.228 13.687 1.00 3.33 H new ATOM 0 HG11 VAL A 124 21.319 3.101 13.133 1.00 21.51 H new ATOM 0 HG12 VAL A 124 20.177 1.984 13.917 1.00 21.51 H new ATOM 0 HG13 VAL A 124 20.433 1.905 12.157 1.00 21.51 H new ATOM 0 HG21 VAL A 124 20.512 5.008 11.768 1.00 71.55 H new ATOM 0 HG22 VAL A 124 19.600 3.925 10.689 1.00 71.55 H new ATOM 0 HG23 VAL A 124 18.772 5.274 11.503 1.00 71.55 H new ATOM 1991 N SER A 125 15.599 3.330 13.498 1.00 40.21 N ATOM 1992 CA SER A 125 14.322 4.038 13.658 1.00 21.10 C ATOM 1993 C SER A 125 14.252 4.662 15.069 1.00 52.15 C ATOM 1994 O SER A 125 14.511 5.875 15.206 1.00 50.24 O ATOM 1995 CB SER A 125 13.153 3.053 13.408 1.00 50.43 C ATOM 1996 OG SER A 125 13.283 2.416 12.145 1.00 40.24 O ATOM 1997 OXT SER A 125 14.003 3.922 16.050 1.00 38.03 O ATOM 0 H SER A 125 15.632 2.438 13.992 1.00 40.21 H new ATOM 0 HA SER A 125 14.244 4.846 12.930 1.00 21.10 H new ATOM 0 HB2 SER A 125 13.131 2.302 14.197 1.00 50.43 H new ATOM 0 HB3 SER A 125 12.205 3.590 13.452 1.00 50.43 H new ATOM 0 HG SER A 125 14.068 1.830 12.153 1.00 40.24 H new TER 2003 SER A 125