USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 956 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 36 GLN : amide:sc= 0 X(o=0.6,f=0.18) USER MOD Set 1.2: A 57 SER OG : rot -78:sc= 0.601 USER MOD Set 2.1: A 54 SER OG : rot -72:sc= 1.39 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 1.02 K(o=2.4,f=-5.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.532 (180deg=0.282) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 5 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.0062) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.023) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.05) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.17) USER MOD Single : A 17 GLN : amide:sc= 0.778 K(o=0.78,f=-0.33) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-4.1!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000473) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 135:sc= 0.459 USER MOD Single : A 45 HIS : no HE2:sc= -0.561 K(o=-0.56,f=-2.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -113:sc= 0.686 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0101 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.659 K(o=-0.66,f=-1.9) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0453 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 85 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.059) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.77 K(o=0.77,f=-2.3!) USER MOD Single : A 91 TYR OH : rot 110:sc= -0.236 USER MOD Single : A 92 THR OG1 : rot -72:sc= -0.114 USER MOD Single : A 93 THR OG1 : rot -67:sc= 1.3 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0159 (180deg=-0.183) USER MOD Single : A 95 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.21) USER MOD Single : A 98 THR OG1 : rot -141:sc= -0.271 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0183 (180deg=-0.13) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0661) USER MOD Single : A 101 SER OG : rot 180:sc= -0.45 USER MOD Single : A 107 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.85) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 1.17 (180deg=1.1) USER MOD Single : A 113 LYS NZ :NH3+ -146:sc= 1.76 (180deg=0.344) USER MOD Single : A 114 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.646 -21.112 -22.387 1.00 20.21 N ATOM 2 CA MET A 1 16.372 -22.278 -21.498 1.00 40.33 C ATOM 3 C MET A 1 17.530 -23.296 -21.521 1.00 53.13 C ATOM 4 O MET A 1 17.357 -24.454 -21.136 1.00 14.32 O ATOM 5 CB MET A 1 15.055 -22.955 -21.906 1.00 72.34 C ATOM 6 CG MET A 1 13.819 -22.111 -21.624 1.00 71.11 C ATOM 7 SD MET A 1 13.898 -20.483 -22.398 1.00 65.04 S ATOM 8 CE MET A 1 12.340 -19.773 -21.858 1.00 32.40 C ATOM 0 H1 MET A 1 15.754 -20.623 -22.603 1.00 20.21 H new ATOM 0 H2 MET A 1 17.294 -20.455 -21.908 1.00 20.21 H new ATOM 0 H3 MET A 1 17.081 -21.444 -23.271 1.00 20.21 H new ATOM 0 HA MET A 1 16.282 -21.906 -20.477 1.00 40.33 H new ATOM 0 HB2 MET A 1 15.091 -23.187 -22.970 1.00 72.34 H new ATOM 0 HB3 MET A 1 14.965 -23.903 -21.376 1.00 72.34 H new ATOM 0 HG2 MET A 1 12.935 -22.637 -21.983 1.00 71.11 H new ATOM 0 HG3 MET A 1 13.703 -21.992 -20.547 1.00 71.11 H new ATOM 0 HE1 MET A 1 12.242 -18.763 -22.257 1.00 32.40 H new ATOM 0 HE2 MET A 1 11.515 -20.387 -22.220 1.00 32.40 H new ATOM 0 HE3 MET A 1 12.315 -19.736 -20.769 1.00 32.40 H new ATOM 20 N GLY A 2 18.711 -22.855 -21.960 1.00 24.14 N ATOM 21 CA GLY A 2 19.883 -23.727 -21.989 1.00 52.43 C ATOM 22 C GLY A 2 20.672 -23.701 -20.681 1.00 73.32 C ATOM 23 O GLY A 2 20.279 -24.332 -19.699 1.00 22.02 O ATOM 0 H GLY A 2 18.879 -21.907 -22.297 1.00 24.14 H new ATOM 0 HA2 GLY A 2 19.565 -24.749 -22.196 1.00 52.43 H new ATOM 0 HA3 GLY A 2 20.536 -23.424 -22.808 1.00 52.43 H new ATOM 27 N HIS A 3 21.786 -22.966 -20.660 1.00 62.35 N ATOM 28 CA HIS A 3 22.633 -22.874 -19.459 1.00 34.54 C ATOM 29 C HIS A 3 22.834 -21.414 -19.002 1.00 2.13 C ATOM 30 O HIS A 3 23.490 -21.160 -17.992 1.00 73.54 O ATOM 31 CB HIS A 3 24.002 -23.518 -19.725 1.00 2.44 C ATOM 32 CG HIS A 3 23.928 -24.953 -20.164 1.00 4.41 C ATOM 33 ND1 HIS A 3 24.531 -25.419 -21.311 1.00 30.24 N ATOM 34 CD2 HIS A 3 23.333 -26.032 -19.597 1.00 4.11 C ATOM 35 CE1 HIS A 3 24.310 -26.711 -21.434 1.00 13.23 C ATOM 36 NE2 HIS A 3 23.590 -27.110 -20.410 1.00 73.42 N ATOM 0 H HIS A 3 22.126 -22.426 -21.456 1.00 62.35 H new ATOM 0 HA HIS A 3 22.119 -23.409 -18.661 1.00 34.54 H new ATOM 0 HB2 HIS A 3 24.521 -22.941 -20.491 1.00 2.44 H new ATOM 0 HB3 HIS A 3 24.603 -23.457 -18.818 1.00 2.44 H new ATOM 0 HD2 HIS A 3 22.764 -26.042 -18.679 1.00 4.11 H new ATOM 0 HE1 HIS A 3 24.661 -27.337 -22.241 1.00 13.23 H new ATOM 0 HE2 HIS A 3 23.273 -28.065 -20.245 1.00 73.42 H new ATOM 45 N HIS A 4 22.269 -20.462 -19.746 1.00 1.42 N ATOM 46 CA HIS A 4 22.420 -19.031 -19.438 1.00 73.10 C ATOM 47 C HIS A 4 21.181 -18.240 -19.894 1.00 13.23 C ATOM 48 O HIS A 4 20.535 -18.603 -20.876 1.00 73.41 O ATOM 49 CB HIS A 4 23.688 -18.487 -20.119 1.00 21.53 C ATOM 50 CG HIS A 4 23.990 -17.047 -19.810 1.00 0.23 C ATOM 51 ND1 HIS A 4 24.624 -16.646 -18.654 1.00 13.23 N ATOM 52 CD2 HIS A 4 23.750 -15.910 -20.513 1.00 62.54 C ATOM 53 CE1 HIS A 4 24.761 -15.337 -18.655 1.00 1.10 C ATOM 54 NE2 HIS A 4 24.243 -14.867 -19.769 1.00 13.20 N ATOM 0 H HIS A 4 21.700 -20.653 -20.570 1.00 1.42 H new ATOM 0 HA HIS A 4 22.515 -18.912 -18.359 1.00 73.10 H new ATOM 0 HB2 HIS A 4 24.539 -19.097 -19.816 1.00 21.53 H new ATOM 0 HB3 HIS A 4 23.583 -18.600 -21.198 1.00 21.53 H new ATOM 0 HD2 HIS A 4 23.264 -15.840 -21.475 1.00 62.54 H new ATOM 0 HE1 HIS A 4 25.220 -14.749 -17.874 1.00 1.10 H new ATOM 0 HE2 HIS A 4 24.212 -13.883 -20.037 1.00 13.20 H new ATOM 63 N HIS A 5 20.844 -17.168 -19.173 1.00 35.03 N ATOM 64 CA HIS A 5 19.679 -16.337 -19.524 1.00 53.21 C ATOM 65 C HIS A 5 19.824 -14.894 -19.009 1.00 23.13 C ATOM 66 O HIS A 5 20.727 -14.589 -18.227 1.00 52.21 O ATOM 67 CB HIS A 5 18.387 -16.969 -18.983 1.00 51.24 C ATOM 68 CG HIS A 5 18.302 -17.034 -17.486 1.00 74.12 C ATOM 69 ND1 HIS A 5 17.128 -16.829 -16.794 1.00 40.01 N ATOM 70 CD2 HIS A 5 19.241 -17.307 -16.547 1.00 20.12 C ATOM 71 CE1 HIS A 5 17.346 -16.976 -15.505 1.00 41.43 C ATOM 72 NE2 HIS A 5 18.614 -17.264 -15.330 1.00 3.41 N ATOM 0 H HIS A 5 21.354 -16.853 -18.348 1.00 35.03 H new ATOM 0 HA HIS A 5 19.627 -16.293 -20.612 1.00 53.21 H new ATOM 0 HB2 HIS A 5 17.536 -16.401 -19.358 1.00 51.24 H new ATOM 0 HB3 HIS A 5 18.297 -17.979 -19.383 1.00 51.24 H new ATOM 0 HD2 HIS A 5 20.285 -17.518 -16.725 1.00 20.12 H new ATOM 0 HE1 HIS A 5 16.607 -16.877 -14.724 1.00 41.43 H new ATOM 0 HE2 HIS A 5 19.062 -17.430 -14.429 1.00 3.41 H new ATOM 81 N HIS A 6 18.923 -14.011 -19.449 1.00 41.52 N ATOM 82 CA HIS A 6 18.952 -12.592 -19.059 1.00 51.00 C ATOM 83 C HIS A 6 17.676 -12.175 -18.310 1.00 24.32 C ATOM 84 O HIS A 6 16.572 -12.595 -18.660 1.00 13.11 O ATOM 85 CB HIS A 6 19.111 -11.704 -20.300 1.00 11.12 C ATOM 86 CG HIS A 6 20.331 -12.008 -21.115 1.00 51.21 C ATOM 87 ND1 HIS A 6 20.321 -12.852 -22.204 1.00 51.12 N ATOM 88 CD2 HIS A 6 21.608 -11.569 -21.001 1.00 34.33 C ATOM 89 CE1 HIS A 6 21.531 -12.919 -22.721 1.00 30.11 C ATOM 90 NE2 HIS A 6 22.327 -12.154 -22.010 1.00 53.32 N ATOM 0 H HIS A 6 18.159 -14.253 -20.080 1.00 41.52 H new ATOM 0 HA HIS A 6 19.803 -12.462 -18.390 1.00 51.00 H new ATOM 0 HB2 HIS A 6 18.229 -11.816 -20.930 1.00 11.12 H new ATOM 0 HB3 HIS A 6 19.147 -10.661 -19.985 1.00 11.12 H new ATOM 0 HD2 HIS A 6 21.988 -10.886 -20.255 1.00 34.33 H new ATOM 0 HE1 HIS A 6 21.819 -13.503 -23.582 1.00 30.11 H new ATOM 0 HE2 HIS A 6 23.323 -12.017 -22.182 1.00 53.32 H new ATOM 99 N HIS A 7 17.833 -11.347 -17.282 1.00 20.44 N ATOM 100 CA HIS A 7 16.687 -10.730 -16.600 1.00 24.23 C ATOM 101 C HIS A 7 16.519 -9.267 -17.032 1.00 21.11 C ATOM 102 O HIS A 7 17.424 -8.671 -17.617 1.00 4.50 O ATOM 103 CB HIS A 7 16.849 -10.795 -15.075 1.00 50.43 C ATOM 104 CG HIS A 7 16.696 -12.173 -14.506 1.00 64.54 C ATOM 105 ND1 HIS A 7 17.759 -12.936 -14.086 1.00 63.45 N ATOM 106 CD2 HIS A 7 15.589 -12.918 -14.266 1.00 54.11 C ATOM 107 CE1 HIS A 7 17.319 -14.081 -13.611 1.00 11.12 C ATOM 108 NE2 HIS A 7 16.007 -14.097 -13.707 1.00 63.32 N ATOM 0 H HIS A 7 18.741 -11.084 -16.898 1.00 20.44 H new ATOM 0 HA HIS A 7 15.798 -11.293 -16.884 1.00 24.23 H new ATOM 0 HB2 HIS A 7 17.833 -10.409 -14.807 1.00 50.43 H new ATOM 0 HB3 HIS A 7 16.112 -10.138 -14.613 1.00 50.43 H new ATOM 0 HD2 HIS A 7 14.568 -12.635 -14.476 1.00 54.11 H new ATOM 0 HE1 HIS A 7 17.932 -14.875 -13.210 1.00 11.12 H new ATOM 0 HE2 HIS A 7 15.400 -14.862 -13.413 1.00 63.32 H new ATOM 117 N HIS A 8 15.355 -8.699 -16.749 1.00 50.54 N ATOM 118 CA HIS A 8 15.082 -7.291 -17.044 1.00 34.44 C ATOM 119 C HIS A 8 14.292 -6.639 -15.898 1.00 3.11 C ATOM 120 O HIS A 8 13.619 -7.325 -15.124 1.00 54.44 O ATOM 121 CB HIS A 8 14.302 -7.159 -18.362 1.00 24.24 C ATOM 122 CG HIS A 8 15.062 -7.640 -19.566 1.00 0.13 C ATOM 123 ND1 HIS A 8 15.917 -6.834 -20.285 1.00 35.45 N ATOM 124 CD2 HIS A 8 15.098 -8.852 -20.177 1.00 54.53 C ATOM 125 CE1 HIS A 8 16.445 -7.520 -21.278 1.00 74.53 C ATOM 126 NE2 HIS A 8 15.965 -8.746 -21.236 1.00 32.30 N ATOM 0 H HIS A 8 14.576 -9.192 -16.312 1.00 50.54 H new ATOM 0 HA HIS A 8 16.037 -6.775 -17.146 1.00 34.44 H new ATOM 0 HB2 HIS A 8 13.372 -7.722 -18.281 1.00 24.24 H new ATOM 0 HB3 HIS A 8 14.030 -6.114 -18.509 1.00 24.24 H new ATOM 0 HD2 HIS A 8 14.548 -9.734 -19.885 1.00 54.53 H new ATOM 0 HE1 HIS A 8 17.151 -7.142 -22.003 1.00 74.53 H new ATOM 0 HE2 HIS A 8 16.200 -9.496 -21.886 1.00 32.30 H new ATOM 135 N SER A 9 14.396 -5.321 -15.777 1.00 2.30 N ATOM 136 CA SER A 9 13.641 -4.574 -14.758 1.00 22.53 C ATOM 137 C SER A 9 12.287 -4.114 -15.307 1.00 10.13 C ATOM 138 O SER A 9 11.236 -4.432 -14.745 1.00 14.52 O ATOM 139 CB SER A 9 14.444 -3.360 -14.269 1.00 25.01 C ATOM 140 OG SER A 9 13.712 -2.596 -13.314 1.00 61.42 O ATOM 0 H SER A 9 14.993 -4.741 -16.367 1.00 2.30 H new ATOM 0 HA SER A 9 13.466 -5.244 -13.917 1.00 22.53 H new ATOM 0 HB2 SER A 9 15.380 -3.698 -13.825 1.00 25.01 H new ATOM 0 HB3 SER A 9 14.704 -2.729 -15.119 1.00 25.01 H new ATOM 0 HG SER A 9 14.252 -1.832 -13.023 1.00 61.42 H new ATOM 146 N HIS A 10 12.325 -3.364 -16.414 1.00 45.01 N ATOM 147 CA HIS A 10 11.111 -2.861 -17.073 1.00 75.41 C ATOM 148 C HIS A 10 10.265 -2.008 -16.104 1.00 60.52 C ATOM 149 O HIS A 10 9.275 -2.473 -15.535 1.00 40.14 O ATOM 150 CB HIS A 10 10.298 -4.035 -17.641 1.00 65.44 C ATOM 151 CG HIS A 10 9.124 -3.624 -18.472 1.00 21.32 C ATOM 152 ND1 HIS A 10 7.838 -3.557 -17.979 1.00 53.20 N ATOM 153 CD2 HIS A 10 9.038 -3.272 -19.780 1.00 61.12 C ATOM 154 CE1 HIS A 10 7.017 -3.190 -18.940 1.00 20.52 C ATOM 155 NE2 HIS A 10 7.717 -3.011 -20.039 1.00 24.04 N ATOM 0 H HIS A 10 13.191 -3.089 -16.877 1.00 45.01 H new ATOM 0 HA HIS A 10 11.405 -2.214 -17.899 1.00 75.41 H new ATOM 0 HB2 HIS A 10 10.956 -4.659 -18.246 1.00 65.44 H new ATOM 0 HB3 HIS A 10 9.945 -4.652 -16.814 1.00 65.44 H new ATOM 0 HD2 HIS A 10 9.855 -3.209 -20.483 1.00 61.12 H new ATOM 0 HE1 HIS A 10 5.950 -3.058 -18.843 1.00 20.52 H new ATOM 0 HE2 HIS A 10 7.337 -2.724 -20.941 1.00 24.04 H new ATOM 164 N MET A 11 10.676 -0.756 -15.925 1.00 33.11 N ATOM 165 CA MET A 11 10.062 0.141 -14.942 1.00 24.44 C ATOM 166 C MET A 11 8.692 0.665 -15.417 1.00 31.41 C ATOM 167 O MET A 11 8.551 1.156 -16.538 1.00 2.40 O ATOM 168 CB MET A 11 11.019 1.311 -14.654 1.00 3.33 C ATOM 169 CG MET A 11 10.657 2.142 -13.426 1.00 64.44 C ATOM 170 SD MET A 11 9.110 3.056 -13.609 1.00 25.35 S ATOM 171 CE MET A 11 9.012 3.891 -12.025 1.00 20.44 C ATOM 0 H MET A 11 11.440 -0.333 -16.453 1.00 33.11 H new ATOM 0 HA MET A 11 9.886 -0.424 -14.026 1.00 24.44 H new ATOM 0 HB2 MET A 11 12.026 0.915 -14.524 1.00 3.33 H new ATOM 0 HB3 MET A 11 11.043 1.966 -15.525 1.00 3.33 H new ATOM 0 HG2 MET A 11 10.581 1.484 -12.560 1.00 64.44 H new ATOM 0 HG3 MET A 11 11.464 2.846 -13.222 1.00 64.44 H new ATOM 0 HE1 MET A 11 8.106 4.496 -11.988 1.00 20.44 H new ATOM 0 HE2 MET A 11 8.987 3.151 -11.225 1.00 20.44 H new ATOM 0 HE3 MET A 11 9.883 4.534 -11.898 1.00 20.44 H new ATOM 181 N LYS A 12 7.685 0.536 -14.553 1.00 60.34 N ATOM 182 CA LYS A 12 6.338 1.066 -14.814 1.00 3.12 C ATOM 183 C LYS A 12 5.989 2.201 -13.829 1.00 72.14 C ATOM 184 O LYS A 12 6.186 2.060 -12.620 1.00 54.15 O ATOM 185 CB LYS A 12 5.290 -0.059 -14.698 1.00 32.43 C ATOM 186 CG LYS A 12 5.124 -0.904 -15.964 1.00 52.45 C ATOM 187 CD LYS A 12 4.462 -0.105 -17.090 1.00 33.50 C ATOM 188 CE LYS A 12 4.060 -0.986 -18.269 1.00 4.01 C ATOM 189 NZ LYS A 12 3.296 -0.223 -19.292 1.00 14.54 N ATOM 0 H LYS A 12 7.775 0.063 -13.654 1.00 60.34 H new ATOM 0 HA LYS A 12 6.327 1.469 -15.827 1.00 3.12 H new ATOM 0 HB2 LYS A 12 5.569 -0.714 -13.873 1.00 32.43 H new ATOM 0 HB3 LYS A 12 4.327 0.383 -14.443 1.00 32.43 H new ATOM 0 HG2 LYS A 12 6.099 -1.261 -16.295 1.00 52.45 H new ATOM 0 HG3 LYS A 12 4.522 -1.784 -15.739 1.00 52.45 H new ATOM 0 HD2 LYS A 12 3.579 0.402 -16.701 1.00 33.50 H new ATOM 0 HD3 LYS A 12 5.148 0.668 -17.435 1.00 33.50 H new ATOM 0 HE2 LYS A 12 4.953 -1.413 -18.725 1.00 4.01 H new ATOM 0 HE3 LYS A 12 3.456 -1.820 -17.911 1.00 4.01 H new ATOM 0 HZ1 LYS A 12 3.084 -0.842 -20.100 1.00 14.54 H new ATOM 0 HZ2 LYS A 12 2.406 0.120 -18.877 1.00 14.54 H new ATOM 0 HZ3 LYS A 12 3.862 0.587 -19.615 1.00 14.54 H new ATOM 203 N PRO A 13 5.464 3.342 -14.331 1.00 13.14 N ATOM 204 CA PRO A 13 5.063 4.477 -13.474 1.00 75.20 C ATOM 205 C PRO A 13 3.890 4.132 -12.536 1.00 31.10 C ATOM 206 O PRO A 13 3.263 3.078 -12.667 1.00 5.54 O ATOM 207 CB PRO A 13 4.658 5.562 -14.486 1.00 45.34 C ATOM 208 CG PRO A 13 4.306 4.816 -15.727 1.00 70.34 C ATOM 209 CD PRO A 13 5.223 3.622 -15.760 1.00 50.22 C ATOM 0 HA PRO A 13 5.866 4.782 -12.803 1.00 75.20 H new ATOM 0 HB2 PRO A 13 3.812 6.146 -14.122 1.00 45.34 H new ATOM 0 HB3 PRO A 13 5.475 6.261 -14.664 1.00 45.34 H new ATOM 0 HG2 PRO A 13 3.261 4.507 -15.714 1.00 70.34 H new ATOM 0 HG3 PRO A 13 4.443 5.439 -16.611 1.00 70.34 H new ATOM 0 HD2 PRO A 13 4.761 2.773 -16.264 1.00 50.22 H new ATOM 0 HD3 PRO A 13 6.150 3.841 -16.289 1.00 50.22 H new ATOM 217 N LEU A 14 3.587 5.039 -11.602 1.00 2.53 N ATOM 218 CA LEU A 14 2.546 4.800 -10.590 1.00 25.31 C ATOM 219 C LEU A 14 1.187 4.460 -11.228 1.00 53.40 C ATOM 220 O LEU A 14 0.526 3.503 -10.828 1.00 65.02 O ATOM 221 CB LEU A 14 2.408 6.026 -9.672 1.00 31.04 C ATOM 222 CG LEU A 14 1.405 5.871 -8.512 1.00 73.42 C ATOM 223 CD1 LEU A 14 1.802 4.707 -7.606 1.00 12.41 C ATOM 224 CD2 LEU A 14 1.300 7.167 -7.711 1.00 20.03 C ATOM 0 H LEU A 14 4.046 5.946 -11.523 1.00 2.53 H new ATOM 0 HA LEU A 14 2.856 3.937 -10.000 1.00 25.31 H new ATOM 0 HB2 LEU A 14 3.388 6.259 -9.255 1.00 31.04 H new ATOM 0 HB3 LEU A 14 2.108 6.881 -10.278 1.00 31.04 H new ATOM 0 HG LEU A 14 0.425 5.653 -8.937 1.00 73.42 H new ATOM 0 HD11 LEU A 14 1.081 4.616 -6.794 1.00 12.41 H new ATOM 0 HD12 LEU A 14 1.816 3.784 -8.185 1.00 12.41 H new ATOM 0 HD13 LEU A 14 2.793 4.890 -7.192 1.00 12.41 H new ATOM 0 HD21 LEU A 14 0.587 7.035 -6.897 1.00 20.03 H new ATOM 0 HD22 LEU A 14 2.277 7.421 -7.300 1.00 20.03 H new ATOM 0 HD23 LEU A 14 0.961 7.972 -8.364 1.00 20.03 H new ATOM 236 N ALA A 15 0.790 5.237 -12.231 1.00 64.25 N ATOM 237 CA ALA A 15 -0.491 5.031 -12.927 1.00 33.11 C ATOM 238 C ALA A 15 -0.570 3.663 -13.637 1.00 61.40 C ATOM 239 O ALA A 15 -1.652 3.210 -14.004 1.00 43.14 O ATOM 240 CB ALA A 15 -0.722 6.157 -13.927 1.00 42.41 C ATOM 0 H ALA A 15 1.336 6.022 -12.587 1.00 64.25 H new ATOM 0 HA ALA A 15 -1.275 5.040 -12.170 1.00 33.11 H new ATOM 0 HB1 ALA A 15 -1.671 6.000 -14.439 1.00 42.41 H new ATOM 0 HB2 ALA A 15 -0.747 7.111 -13.401 1.00 42.41 H new ATOM 0 HB3 ALA A 15 0.087 6.167 -14.657 1.00 42.41 H new ATOM 246 N GLU A 16 0.574 3.012 -13.829 1.00 45.43 N ATOM 247 CA GLU A 16 0.630 1.710 -14.510 1.00 3.43 C ATOM 248 C GLU A 16 0.746 0.540 -13.519 1.00 3.00 C ATOM 249 O GLU A 16 0.749 -0.624 -13.922 1.00 43.31 O ATOM 250 CB GLU A 16 1.814 1.686 -15.483 1.00 50.24 C ATOM 251 CG GLU A 16 1.624 2.560 -16.719 1.00 50.11 C ATOM 252 CD GLU A 16 0.600 1.991 -17.690 1.00 13.01 C ATOM 253 OE1 GLU A 16 0.963 1.101 -18.484 1.00 72.32 O ATOM 254 OE2 GLU A 16 -0.573 2.428 -17.664 1.00 33.24 O ATOM 0 H GLU A 16 1.482 3.362 -13.523 1.00 45.43 H new ATOM 0 HA GLU A 16 -0.305 1.584 -15.056 1.00 3.43 H new ATOM 0 HB2 GLU A 16 2.710 2.012 -14.955 1.00 50.24 H new ATOM 0 HB3 GLU A 16 1.988 0.658 -15.802 1.00 50.24 H new ATOM 0 HG2 GLU A 16 1.310 3.557 -16.409 1.00 50.11 H new ATOM 0 HG3 GLU A 16 2.580 2.672 -17.230 1.00 50.11 H new ATOM 261 N GLN A 17 0.840 0.853 -12.230 1.00 1.11 N ATOM 262 CA GLN A 17 0.982 -0.175 -11.194 1.00 14.22 C ATOM 263 C GLN A 17 -0.360 -0.858 -10.879 1.00 1.11 C ATOM 264 O GLN A 17 -1.336 -0.199 -10.524 1.00 12.33 O ATOM 265 CB GLN A 17 1.568 0.449 -9.919 1.00 54.15 C ATOM 266 CG GLN A 17 3.009 0.926 -10.077 1.00 64.43 C ATOM 267 CD GLN A 17 3.983 -0.216 -10.328 1.00 44.43 C ATOM 268 OE1 GLN A 17 3.790 -1.332 -9.853 1.00 5.40 O ATOM 269 NE2 GLN A 17 5.031 0.048 -11.078 1.00 74.30 N ATOM 0 H GLN A 17 0.821 1.809 -11.874 1.00 1.11 H new ATOM 0 HA GLN A 17 1.660 -0.940 -11.573 1.00 14.22 H new ATOM 0 HB2 GLN A 17 0.946 1.292 -9.619 1.00 54.15 H new ATOM 0 HB3 GLN A 17 1.523 -0.283 -9.113 1.00 54.15 H new ATOM 0 HG2 GLN A 17 3.064 1.633 -10.904 1.00 64.43 H new ATOM 0 HG3 GLN A 17 3.310 1.463 -9.178 1.00 64.43 H new ATOM 0 HE21 GLN A 17 5.163 0.985 -11.458 1.00 74.30 H new ATOM 0 HE22 GLN A 17 5.711 -0.685 -11.280 1.00 74.30 H new ATOM 278 N ASP A 18 -0.387 -2.190 -11.004 1.00 15.43 N ATOM 279 CA ASP A 18 -1.587 -2.993 -10.724 1.00 74.20 C ATOM 280 C ASP A 18 -2.214 -2.666 -9.354 1.00 74.24 C ATOM 281 O ASP A 18 -3.438 -2.573 -9.222 1.00 40.35 O ATOM 282 CB ASP A 18 -1.233 -4.483 -10.785 1.00 24.22 C ATOM 283 CG ASP A 18 -0.943 -4.956 -12.199 1.00 40.15 C ATOM 284 OD1 ASP A 18 0.228 -4.893 -12.626 1.00 44.22 O ATOM 285 OD2 ASP A 18 -1.889 -5.400 -12.887 1.00 1.11 O ATOM 0 H ASP A 18 0.418 -2.741 -11.301 1.00 15.43 H new ATOM 0 HA ASP A 18 -2.327 -2.746 -11.485 1.00 74.20 H new ATOM 0 HB2 ASP A 18 -0.363 -4.672 -10.157 1.00 24.22 H new ATOM 0 HB3 ASP A 18 -2.057 -5.066 -10.372 1.00 24.22 H new ATOM 290 N TRP A 19 -1.372 -2.491 -8.341 1.00 15.13 N ATOM 291 CA TRP A 19 -1.845 -2.215 -6.978 1.00 31.14 C ATOM 292 C TRP A 19 -2.395 -0.783 -6.817 1.00 44.02 C ATOM 293 O TRP A 19 -3.130 -0.504 -5.872 1.00 12.54 O ATOM 294 CB TRP A 19 -0.734 -2.495 -5.952 1.00 53.23 C ATOM 295 CG TRP A 19 0.623 -1.986 -6.357 1.00 23.02 C ATOM 296 CD1 TRP A 19 1.603 -2.691 -6.999 1.00 71.42 C ATOM 297 CD2 TRP A 19 1.152 -0.671 -6.140 1.00 24.31 C ATOM 298 NE1 TRP A 19 2.702 -1.895 -7.199 1.00 41.20 N ATOM 299 CE2 TRP A 19 2.450 -0.652 -6.681 1.00 3.42 C ATOM 300 CE3 TRP A 19 0.653 0.492 -5.550 1.00 41.43 C ATOM 301 CZ2 TRP A 19 3.256 0.479 -6.639 1.00 20.14 C ATOM 302 CZ3 TRP A 19 1.456 1.617 -5.512 1.00 33.34 C ATOM 303 CH2 TRP A 19 2.746 1.603 -6.055 1.00 60.45 C ATOM 0 H TRP A 19 -0.357 -2.534 -8.432 1.00 15.13 H new ATOM 0 HA TRP A 19 -2.678 -2.892 -6.788 1.00 31.14 H new ATOM 0 HB2 TRP A 19 -1.011 -2.041 -5.001 1.00 53.23 H new ATOM 0 HB3 TRP A 19 -0.671 -3.570 -5.786 1.00 53.23 H new ATOM 0 HD1 TRP A 19 1.523 -3.724 -7.304 1.00 71.42 H new ATOM 0 HE1 TRP A 19 3.566 -2.182 -7.659 1.00 41.20 H new ATOM 0 HE3 TRP A 19 -0.342 0.512 -5.131 1.00 41.43 H new ATOM 0 HZ2 TRP A 19 4.253 0.469 -7.054 1.00 20.14 H new ATOM 0 HZ3 TRP A 19 1.082 2.522 -5.056 1.00 33.34 H new ATOM 0 HH2 TRP A 19 3.349 2.498 -6.011 1.00 60.45 H new ATOM 314 N TYR A 20 -2.059 0.115 -7.741 1.00 65.24 N ATOM 315 CA TYR A 20 -2.610 1.478 -7.723 1.00 54.35 C ATOM 316 C TYR A 20 -3.947 1.526 -8.481 1.00 20.24 C ATOM 317 O TYR A 20 -3.990 1.339 -9.692 1.00 11.40 O ATOM 318 CB TYR A 20 -1.613 2.472 -8.338 1.00 1.13 C ATOM 319 CG TYR A 20 -2.134 3.901 -8.417 1.00 2.53 C ATOM 320 CD1 TYR A 20 -2.313 4.660 -7.263 1.00 20.40 C ATOM 321 CD2 TYR A 20 -2.457 4.488 -9.640 1.00 45.52 C ATOM 322 CE1 TYR A 20 -2.793 5.955 -7.326 1.00 4.43 C ATOM 323 CE2 TYR A 20 -2.938 5.782 -9.708 1.00 12.44 C ATOM 324 CZ TYR A 20 -3.104 6.513 -8.549 1.00 42.21 C ATOM 325 OH TYR A 20 -3.588 7.804 -8.614 1.00 72.03 O ATOM 0 H TYR A 20 -1.413 -0.070 -8.508 1.00 65.24 H new ATOM 0 HA TYR A 20 -2.787 1.763 -6.686 1.00 54.35 H new ATOM 0 HB2 TYR A 20 -0.696 2.462 -7.749 1.00 1.13 H new ATOM 0 HB3 TYR A 20 -1.351 2.135 -9.341 1.00 1.13 H new ATOM 0 HD1 TYR A 20 -2.073 4.229 -6.302 1.00 20.40 H new ATOM 0 HD2 TYR A 20 -2.329 3.921 -10.550 1.00 45.52 H new ATOM 0 HE1 TYR A 20 -2.924 6.528 -6.420 1.00 4.43 H new ATOM 0 HE2 TYR A 20 -3.183 6.220 -10.665 1.00 12.44 H new ATOM 0 HH TYR A 20 -3.755 8.044 -9.549 1.00 72.03 H new ATOM 335 N HIS A 21 -5.043 1.774 -7.766 1.00 24.43 N ATOM 336 CA HIS A 21 -6.384 1.744 -8.378 1.00 41.23 C ATOM 337 C HIS A 21 -7.043 3.133 -8.426 1.00 13.22 C ATOM 338 O HIS A 21 -8.263 3.245 -8.542 1.00 2.32 O ATOM 339 CB HIS A 21 -7.275 0.737 -7.632 1.00 44.12 C ATOM 340 CG HIS A 21 -6.871 -0.692 -7.869 1.00 4.30 C ATOM 341 ND1 HIS A 21 -7.602 -1.565 -8.649 1.00 3.14 N ATOM 342 CD2 HIS A 21 -5.795 -1.395 -7.443 1.00 3.41 C ATOM 343 CE1 HIS A 21 -6.993 -2.735 -8.691 1.00 10.32 C ATOM 344 NE2 HIS A 21 -5.891 -2.659 -7.973 1.00 64.53 N ATOM 0 H HIS A 21 -5.037 1.997 -6.771 1.00 24.43 H new ATOM 0 HA HIS A 21 -6.267 1.424 -9.413 1.00 41.23 H new ATOM 0 HB2 HIS A 21 -7.236 0.948 -6.563 1.00 44.12 H new ATOM 0 HB3 HIS A 21 -8.310 0.873 -7.946 1.00 44.12 H new ATOM 0 HD2 HIS A 21 -5.005 -1.029 -6.803 1.00 3.41 H new ATOM 0 HE1 HIS A 21 -7.340 -3.608 -9.224 1.00 10.32 H new ATOM 0 HE2 HIS A 21 -5.220 -3.414 -7.834 1.00 64.53 H new ATOM 353 N GLY A 22 -6.230 4.184 -8.363 1.00 0.01 N ATOM 354 CA GLY A 22 -6.736 5.545 -8.541 1.00 14.30 C ATOM 355 C GLY A 22 -7.458 6.115 -7.319 1.00 32.44 C ATOM 356 O GLY A 22 -7.414 5.545 -6.228 1.00 11.21 O ATOM 0 H GLY A 22 -5.226 4.123 -8.192 1.00 0.01 H new ATOM 0 HA2 GLY A 22 -5.902 6.200 -8.793 1.00 14.30 H new ATOM 0 HA3 GLY A 22 -7.419 5.558 -9.390 1.00 14.30 H new ATOM 360 N ALA A 23 -8.117 7.257 -7.508 1.00 51.52 N ATOM 361 CA ALA A 23 -8.825 7.946 -6.423 1.00 71.01 C ATOM 362 C ALA A 23 -10.208 7.335 -6.143 1.00 74.20 C ATOM 363 O ALA A 23 -11.239 7.997 -6.294 1.00 42.13 O ATOM 364 CB ALA A 23 -8.954 9.432 -6.752 1.00 31.13 C ATOM 0 H ALA A 23 -8.177 7.730 -8.410 1.00 51.52 H new ATOM 0 HA ALA A 23 -8.236 7.821 -5.515 1.00 71.01 H new ATOM 0 HB1 ALA A 23 -9.480 9.939 -5.943 1.00 31.13 H new ATOM 0 HB2 ALA A 23 -7.961 9.867 -6.868 1.00 31.13 H new ATOM 0 HB3 ALA A 23 -9.513 9.552 -7.680 1.00 31.13 H new ATOM 370 N ILE A 24 -10.233 6.071 -5.731 1.00 60.23 N ATOM 371 CA ILE A 24 -11.490 5.397 -5.386 1.00 13.11 C ATOM 372 C ILE A 24 -11.870 5.643 -3.913 1.00 21.52 C ATOM 373 O ILE A 24 -10.998 5.828 -3.057 1.00 10.01 O ATOM 374 CB ILE A 24 -11.413 3.871 -5.650 1.00 13.15 C ATOM 375 CG1 ILE A 24 -10.309 3.221 -4.799 1.00 12.21 C ATOM 376 CG2 ILE A 24 -11.184 3.600 -7.135 1.00 74.11 C ATOM 377 CD1 ILE A 24 -10.245 1.713 -4.931 1.00 5.12 C ATOM 0 H ILE A 24 -9.401 5.490 -5.627 1.00 60.23 H new ATOM 0 HA ILE A 24 -12.260 5.823 -6.029 1.00 13.11 H new ATOM 0 HB ILE A 24 -12.364 3.424 -5.360 1.00 13.15 H new ATOM 0 HG12 ILE A 24 -9.346 3.643 -5.086 1.00 12.21 H new ATOM 0 HG13 ILE A 24 -10.471 3.478 -3.752 1.00 12.21 H new ATOM 0 HG21 ILE A 24 -11.132 2.525 -7.305 1.00 74.11 H new ATOM 0 HG22 ILE A 24 -12.008 4.019 -7.713 1.00 74.11 H new ATOM 0 HG23 ILE A 24 -10.248 4.062 -7.449 1.00 74.11 H new ATOM 0 HD11 ILE A 24 -9.443 1.326 -4.302 1.00 5.12 H new ATOM 0 HD12 ILE A 24 -11.194 1.280 -4.616 1.00 5.12 H new ATOM 0 HD13 ILE A 24 -10.052 1.447 -5.970 1.00 5.12 H new ATOM 389 N PRO A 25 -13.181 5.674 -3.597 1.00 55.44 N ATOM 390 CA PRO A 25 -13.663 5.875 -2.217 1.00 11.14 C ATOM 391 C PRO A 25 -13.244 4.745 -1.256 1.00 50.33 C ATOM 392 O PRO A 25 -12.866 3.648 -1.681 1.00 62.33 O ATOM 393 CB PRO A 25 -15.193 5.918 -2.369 1.00 51.03 C ATOM 394 CG PRO A 25 -15.474 5.230 -3.662 1.00 42.14 C ATOM 395 CD PRO A 25 -14.298 5.531 -4.552 1.00 72.50 C ATOM 0 HA PRO A 25 -13.238 6.777 -1.777 1.00 11.14 H new ATOM 0 HB2 PRO A 25 -15.686 5.413 -1.538 1.00 51.03 H new ATOM 0 HB3 PRO A 25 -15.559 6.945 -2.381 1.00 51.03 H new ATOM 0 HG2 PRO A 25 -15.589 4.156 -3.516 1.00 42.14 H new ATOM 0 HG3 PRO A 25 -16.402 5.593 -4.104 1.00 42.14 H new ATOM 0 HD2 PRO A 25 -14.117 4.727 -5.266 1.00 72.50 H new ATOM 0 HD3 PRO A 25 -14.453 6.442 -5.130 1.00 72.50 H new ATOM 403 N ARG A 26 -13.323 5.028 0.045 1.00 72.03 N ATOM 404 CA ARG A 26 -12.912 4.073 1.084 1.00 12.35 C ATOM 405 C ARG A 26 -13.684 2.749 0.980 1.00 53.11 C ATOM 406 O ARG A 26 -13.100 1.667 1.092 1.00 2.22 O ATOM 407 CB ARG A 26 -13.119 4.692 2.474 1.00 14.00 C ATOM 408 CG ARG A 26 -12.694 3.785 3.625 1.00 41.43 C ATOM 409 CD ARG A 26 -13.006 4.409 4.981 1.00 12.24 C ATOM 410 NE ARG A 26 -12.280 5.665 5.195 1.00 73.30 N ATOM 411 CZ ARG A 26 -11.986 6.147 6.372 1.00 23.23 C ATOM 412 NH1 ARG A 26 -12.350 5.529 7.447 1.00 3.40 N ATOM 413 NH2 ARG A 26 -11.331 7.259 6.473 1.00 4.21 N ATOM 0 H ARG A 26 -13.670 5.915 0.409 1.00 72.03 H new ATOM 0 HA ARG A 26 -11.855 3.853 0.933 1.00 12.35 H new ATOM 0 HB2 ARG A 26 -12.557 5.624 2.533 1.00 14.00 H new ATOM 0 HB3 ARG A 26 -14.172 4.946 2.595 1.00 14.00 H new ATOM 0 HG2 ARG A 26 -13.205 2.826 3.540 1.00 41.43 H new ATOM 0 HG3 ARG A 26 -11.625 3.584 3.554 1.00 41.43 H new ATOM 0 HD2 ARG A 26 -14.078 4.594 5.056 1.00 12.24 H new ATOM 0 HD3 ARG A 26 -12.748 3.704 5.771 1.00 12.24 H new ATOM 0 HE ARG A 26 -11.987 6.194 4.374 1.00 73.30 H new ATOM 0 HH11 ARG A 26 -12.872 4.655 7.381 1.00 3.40 H new ATOM 0 HH12 ARG A 26 -12.115 5.915 8.361 1.00 3.40 H new ATOM 0 HH21 ARG A 26 -11.044 7.760 5.632 1.00 4.21 H new ATOM 0 HH22 ARG A 26 -11.102 7.634 7.393 1.00 4.21 H new ATOM 427 N ILE A 27 -14.994 2.848 0.763 1.00 62.13 N ATOM 428 CA ILE A 27 -15.857 1.671 0.617 1.00 73.43 C ATOM 429 C ILE A 27 -15.318 0.705 -0.456 1.00 3.22 C ATOM 430 O ILE A 27 -15.046 -0.460 -0.174 1.00 22.10 O ATOM 431 CB ILE A 27 -17.307 2.093 0.265 1.00 3.42 C ATOM 432 CG1 ILE A 27 -17.884 3.002 1.369 1.00 50.33 C ATOM 433 CG2 ILE A 27 -18.195 0.867 0.051 1.00 2.04 C ATOM 434 CD1 ILE A 27 -19.277 3.524 1.075 1.00 2.51 C ATOM 0 H ILE A 27 -15.487 3.737 0.683 1.00 62.13 H new ATOM 0 HA ILE A 27 -15.861 1.150 1.575 1.00 73.43 H new ATOM 0 HB ILE A 27 -17.284 2.656 -0.668 1.00 3.42 H new ATOM 0 HG12 ILE A 27 -17.906 2.447 2.307 1.00 50.33 H new ATOM 0 HG13 ILE A 27 -17.213 3.849 1.515 1.00 50.33 H new ATOM 0 HG21 ILE A 27 -19.207 1.189 -0.195 1.00 2.04 H new ATOM 0 HG22 ILE A 27 -17.796 0.267 -0.767 1.00 2.04 H new ATOM 0 HG23 ILE A 27 -18.216 0.269 0.962 1.00 2.04 H new ATOM 0 HD11 ILE A 27 -19.611 4.155 1.899 1.00 2.51 H new ATOM 0 HD12 ILE A 27 -19.260 4.108 0.155 1.00 2.51 H new ATOM 0 HD13 ILE A 27 -19.963 2.685 0.959 1.00 2.51 H new ATOM 446 N GLU A 28 -15.135 1.202 -1.677 1.00 63.52 N ATOM 447 CA GLU A 28 -14.632 0.370 -2.780 1.00 0.31 C ATOM 448 C GLU A 28 -13.266 -0.252 -2.449 1.00 41.52 C ATOM 449 O GLU A 28 -12.988 -1.399 -2.811 1.00 54.12 O ATOM 450 CB GLU A 28 -14.526 1.204 -4.062 1.00 61.12 C ATOM 451 CG GLU A 28 -15.853 1.802 -4.518 1.00 1.41 C ATOM 452 CD GLU A 28 -16.911 0.751 -4.819 1.00 73.43 C ATOM 453 OE1 GLU A 28 -16.818 0.101 -5.880 1.00 24.00 O ATOM 454 OE2 GLU A 28 -17.848 0.590 -4.007 1.00 75.24 O ATOM 0 H GLU A 28 -15.325 2.171 -1.932 1.00 63.52 H new ATOM 0 HA GLU A 28 -15.342 -0.443 -2.929 1.00 0.31 H new ATOM 0 HB2 GLU A 28 -13.811 2.011 -3.902 1.00 61.12 H new ATOM 0 HB3 GLU A 28 -14.127 0.578 -4.860 1.00 61.12 H new ATOM 0 HG2 GLU A 28 -16.227 2.473 -3.745 1.00 1.41 H new ATOM 0 HG3 GLU A 28 -15.685 2.405 -5.410 1.00 1.41 H new ATOM 461 N ALA A 29 -12.424 0.508 -1.750 1.00 71.12 N ATOM 462 CA ALA A 29 -11.087 0.043 -1.371 1.00 72.13 C ATOM 463 C ALA A 29 -11.141 -1.218 -0.494 1.00 0.14 C ATOM 464 O ALA A 29 -10.319 -2.120 -0.643 1.00 73.24 O ATOM 465 CB ALA A 29 -10.331 1.152 -0.653 1.00 1.53 C ATOM 0 H ALA A 29 -12.644 1.452 -1.433 1.00 71.12 H new ATOM 0 HA ALA A 29 -10.560 -0.221 -2.288 1.00 72.13 H new ATOM 0 HB1 ALA A 29 -9.339 0.796 -0.376 1.00 1.53 H new ATOM 0 HB2 ALA A 29 -10.236 2.014 -1.313 1.00 1.53 H new ATOM 0 HB3 ALA A 29 -10.876 1.442 0.245 1.00 1.53 H new ATOM 471 N GLN A 30 -12.104 -1.274 0.426 1.00 71.41 N ATOM 472 CA GLN A 30 -12.240 -2.432 1.321 1.00 11.13 C ATOM 473 C GLN A 30 -13.047 -3.576 0.681 1.00 1.42 C ATOM 474 O GLN A 30 -12.755 -4.750 0.912 1.00 20.21 O ATOM 475 CB GLN A 30 -12.881 -2.017 2.654 1.00 51.45 C ATOM 476 CG GLN A 30 -14.231 -1.327 2.513 1.00 74.34 C ATOM 477 CD GLN A 30 -14.895 -1.059 3.849 1.00 11.12 C ATOM 478 OE1 GLN A 30 -14.673 -0.028 4.473 1.00 43.53 O ATOM 479 NE2 GLN A 30 -15.716 -1.985 4.294 1.00 2.35 N ATOM 0 H GLN A 30 -12.797 -0.541 0.574 1.00 71.41 H new ATOM 0 HA GLN A 30 -11.233 -2.805 1.507 1.00 11.13 H new ATOM 0 HB2 GLN A 30 -13.003 -2.903 3.277 1.00 51.45 H new ATOM 0 HB3 GLN A 30 -12.198 -1.349 3.180 1.00 51.45 H new ATOM 0 HG2 GLN A 30 -14.099 -0.384 1.982 1.00 74.34 H new ATOM 0 HG3 GLN A 30 -14.889 -1.946 1.903 1.00 74.34 H new ATOM 0 HE21 GLN A 30 -15.876 -2.831 3.746 1.00 2.35 H new ATOM 0 HE22 GLN A 30 -16.193 -1.858 5.187 1.00 2.35 H new ATOM 488 N GLU A 31 -14.050 -3.233 -0.128 1.00 61.22 N ATOM 489 CA GLU A 31 -14.927 -4.234 -0.757 1.00 61.04 C ATOM 490 C GLU A 31 -14.141 -5.270 -1.583 1.00 62.42 C ATOM 491 O GLU A 31 -14.418 -6.470 -1.517 1.00 22.24 O ATOM 492 CB GLU A 31 -15.964 -3.541 -1.654 1.00 31.43 C ATOM 493 CG GLU A 31 -16.971 -2.682 -0.893 1.00 13.31 C ATOM 494 CD GLU A 31 -17.856 -3.496 0.038 1.00 33.24 C ATOM 495 OE1 GLU A 31 -18.858 -4.070 -0.438 1.00 64.31 O ATOM 496 OE2 GLU A 31 -17.563 -3.561 1.252 1.00 61.44 O ATOM 0 H GLU A 31 -14.280 -2.268 -0.367 1.00 61.22 H new ATOM 0 HA GLU A 31 -15.429 -4.768 0.050 1.00 61.04 H new ATOM 0 HB2 GLU A 31 -15.442 -2.915 -2.378 1.00 31.43 H new ATOM 0 HB3 GLU A 31 -16.504 -4.300 -2.220 1.00 31.43 H new ATOM 0 HG2 GLU A 31 -16.435 -1.931 -0.313 1.00 13.31 H new ATOM 0 HG3 GLU A 31 -17.598 -2.147 -1.607 1.00 13.31 H new ATOM 503 N LEU A 32 -13.156 -4.802 -2.349 1.00 51.34 N ATOM 504 CA LEU A 32 -12.392 -5.679 -3.244 1.00 12.51 C ATOM 505 C LEU A 32 -11.378 -6.557 -2.482 1.00 41.24 C ATOM 506 O LEU A 32 -10.834 -7.512 -3.036 1.00 41.14 O ATOM 507 CB LEU A 32 -11.696 -4.837 -4.333 1.00 52.51 C ATOM 508 CG LEU A 32 -10.603 -3.857 -3.861 1.00 4.33 C ATOM 509 CD1 LEU A 32 -9.241 -4.545 -3.798 1.00 60.34 C ATOM 510 CD2 LEU A 32 -10.553 -2.632 -4.773 1.00 13.44 C ATOM 0 H LEU A 32 -12.867 -3.824 -2.370 1.00 51.34 H new ATOM 0 HA LEU A 32 -13.094 -6.365 -3.719 1.00 12.51 H new ATOM 0 HB2 LEU A 32 -11.251 -5.519 -5.057 1.00 52.51 H new ATOM 0 HB3 LEU A 32 -12.460 -4.266 -4.861 1.00 52.51 H new ATOM 0 HG LEU A 32 -10.855 -3.525 -2.854 1.00 4.33 H new ATOM 0 HD11 LEU A 32 -8.488 -3.832 -3.462 1.00 60.34 H new ATOM 0 HD12 LEU A 32 -9.287 -5.380 -3.099 1.00 60.34 H new ATOM 0 HD13 LEU A 32 -8.974 -4.915 -4.788 1.00 60.34 H new ATOM 0 HD21 LEU A 32 -9.776 -1.951 -4.425 1.00 13.44 H new ATOM 0 HD22 LEU A 32 -10.330 -2.946 -5.793 1.00 13.44 H new ATOM 0 HD23 LEU A 32 -11.517 -2.124 -4.753 1.00 13.44 H new ATOM 522 N LEU A 33 -11.137 -6.230 -1.214 1.00 63.52 N ATOM 523 CA LEU A 33 -10.212 -7.000 -0.370 1.00 12.33 C ATOM 524 C LEU A 33 -10.933 -8.184 0.298 1.00 43.01 C ATOM 525 O LEU A 33 -11.915 -7.988 1.027 1.00 4.03 O ATOM 526 CB LEU A 33 -9.614 -6.087 0.709 1.00 1.13 C ATOM 527 CG LEU A 33 -8.849 -4.857 0.187 1.00 23.41 C ATOM 528 CD1 LEU A 33 -8.361 -3.989 1.344 1.00 4.44 C ATOM 529 CD2 LEU A 33 -7.681 -5.284 -0.694 1.00 63.53 C ATOM 0 H LEU A 33 -11.569 -5.435 -0.743 1.00 63.52 H new ATOM 0 HA LEU A 33 -9.416 -7.393 -1.003 1.00 12.33 H new ATOM 0 HB2 LEU A 33 -10.420 -5.744 1.357 1.00 1.13 H new ATOM 0 HB3 LEU A 33 -8.938 -6.678 1.327 1.00 1.13 H new ATOM 0 HG LEU A 33 -9.535 -4.263 -0.417 1.00 23.41 H new ATOM 0 HD11 LEU A 33 -7.824 -3.126 0.950 1.00 4.44 H new ATOM 0 HD12 LEU A 33 -9.215 -3.648 1.929 1.00 4.44 H new ATOM 0 HD13 LEU A 33 -7.695 -4.572 1.980 1.00 4.44 H new ATOM 0 HD21 LEU A 33 -7.154 -4.400 -1.053 1.00 63.53 H new ATOM 0 HD22 LEU A 33 -6.997 -5.905 -0.116 1.00 63.53 H new ATOM 0 HD23 LEU A 33 -8.056 -5.853 -1.545 1.00 63.53 H new ATOM 541 N LYS A 34 -10.451 -9.410 0.067 1.00 42.15 N ATOM 542 CA LYS A 34 -11.127 -10.606 0.599 1.00 13.22 C ATOM 543 C LYS A 34 -10.177 -11.617 1.278 1.00 32.34 C ATOM 544 O LYS A 34 -10.561 -12.259 2.257 1.00 21.25 O ATOM 545 CB LYS A 34 -11.972 -11.282 -0.503 1.00 74.43 C ATOM 546 CG LYS A 34 -11.277 -11.458 -1.862 1.00 51.32 C ATOM 547 CD LYS A 34 -10.221 -12.561 -1.863 1.00 22.30 C ATOM 548 CE LYS A 34 -10.783 -13.906 -1.409 1.00 53.23 C ATOM 549 NZ LYS A 34 -11.838 -14.420 -2.321 1.00 2.22 N ATOM 0 H LYS A 34 -9.609 -9.603 -0.476 1.00 42.15 H new ATOM 0 HA LYS A 34 -11.786 -10.255 1.393 1.00 13.22 H new ATOM 0 HB2 LYS A 34 -12.284 -12.263 -0.145 1.00 74.43 H new ATOM 0 HB3 LYS A 34 -12.878 -10.694 -0.652 1.00 74.43 H new ATOM 0 HG2 LYS A 34 -12.028 -11.683 -2.620 1.00 51.32 H new ATOM 0 HG3 LYS A 34 -10.809 -10.516 -2.147 1.00 51.32 H new ATOM 0 HD2 LYS A 34 -9.807 -12.663 -2.866 1.00 22.30 H new ATOM 0 HD3 LYS A 34 -9.399 -12.274 -1.207 1.00 22.30 H new ATOM 0 HE2 LYS A 34 -9.973 -14.633 -1.350 1.00 53.23 H new ATOM 0 HE3 LYS A 34 -11.194 -13.804 -0.405 1.00 53.23 H new ATOM 0 HZ1 LYS A 34 -12.174 -15.342 -1.978 1.00 2.22 H new ATOM 0 HZ2 LYS A 34 -12.632 -13.749 -2.346 1.00 2.22 H new ATOM 0 HZ3 LYS A 34 -11.447 -14.529 -3.278 1.00 2.22 H new ATOM 563 N LYS A 35 -8.951 -11.772 0.780 1.00 23.31 N ATOM 564 CA LYS A 35 -8.009 -12.742 1.369 1.00 73.13 C ATOM 565 C LYS A 35 -6.846 -12.039 2.084 1.00 35.41 C ATOM 566 O LYS A 35 -6.453 -10.929 1.714 1.00 12.10 O ATOM 567 CB LYS A 35 -7.456 -13.700 0.297 1.00 3.31 C ATOM 568 CG LYS A 35 -6.582 -13.020 -0.754 1.00 75.31 C ATOM 569 CD LYS A 35 -6.004 -14.009 -1.764 1.00 72.11 C ATOM 570 CE LYS A 35 -7.088 -14.654 -2.621 1.00 65.10 C ATOM 571 NZ LYS A 35 -6.519 -15.607 -3.611 1.00 15.41 N ATOM 0 H LYS A 35 -8.584 -11.251 -0.017 1.00 23.31 H new ATOM 0 HA LYS A 35 -8.568 -13.319 2.106 1.00 73.13 H new ATOM 0 HB2 LYS A 35 -6.875 -14.481 0.788 1.00 3.31 H new ATOM 0 HB3 LYS A 35 -8.291 -14.191 -0.203 1.00 3.31 H new ATOM 0 HG2 LYS A 35 -7.171 -12.270 -1.281 1.00 75.31 H new ATOM 0 HG3 LYS A 35 -5.766 -12.494 -0.258 1.00 75.31 H new ATOM 0 HD2 LYS A 35 -5.292 -13.494 -2.409 1.00 72.11 H new ATOM 0 HD3 LYS A 35 -5.451 -14.785 -1.235 1.00 72.11 H new ATOM 0 HE2 LYS A 35 -7.795 -15.178 -1.978 1.00 65.10 H new ATOM 0 HE3 LYS A 35 -7.647 -13.878 -3.144 1.00 65.10 H new ATOM 0 HZ1 LYS A 35 -7.288 -16.024 -4.173 1.00 15.41 H new ATOM 0 HZ2 LYS A 35 -5.863 -15.103 -4.241 1.00 15.41 H new ATOM 0 HZ3 LYS A 35 -6.007 -16.362 -3.112 1.00 15.41 H new ATOM 585 N GLN A 36 -6.301 -12.689 3.115 1.00 65.52 N ATOM 586 CA GLN A 36 -5.163 -12.142 3.857 1.00 21.51 C ATOM 587 C GLN A 36 -3.955 -11.932 2.934 1.00 64.23 C ATOM 588 O GLN A 36 -3.223 -12.873 2.613 1.00 72.44 O ATOM 589 CB GLN A 36 -4.788 -13.063 5.027 1.00 12.03 C ATOM 590 CG GLN A 36 -3.616 -12.551 5.864 1.00 64.35 C ATOM 591 CD GLN A 36 -3.342 -13.419 7.082 1.00 43.43 C ATOM 592 OE1 GLN A 36 -3.578 -14.621 7.069 1.00 12.22 O ATOM 593 NE2 GLN A 36 -2.839 -12.818 8.140 1.00 15.33 N ATOM 0 H GLN A 36 -6.629 -13.593 3.454 1.00 65.52 H new ATOM 0 HA GLN A 36 -5.458 -11.172 4.258 1.00 21.51 H new ATOM 0 HB2 GLN A 36 -5.657 -13.186 5.673 1.00 12.03 H new ATOM 0 HB3 GLN A 36 -4.539 -14.049 4.635 1.00 12.03 H new ATOM 0 HG2 GLN A 36 -2.721 -12.511 5.243 1.00 64.35 H new ATOM 0 HG3 GLN A 36 -3.825 -11.532 6.189 1.00 64.35 H new ATOM 0 HE21 GLN A 36 -2.654 -11.815 8.117 1.00 15.33 H new ATOM 0 HE22 GLN A 36 -2.634 -13.355 8.982 1.00 15.33 H new ATOM 602 N GLY A 37 -3.770 -10.691 2.498 1.00 41.42 N ATOM 603 CA GLY A 37 -2.699 -10.364 1.570 1.00 5.52 C ATOM 604 C GLY A 37 -3.080 -9.260 0.592 1.00 21.14 C ATOM 605 O GLY A 37 -2.260 -8.395 0.285 1.00 11.13 O ATOM 0 H GLY A 37 -4.348 -9.897 2.773 1.00 41.42 H new ATOM 0 HA2 GLY A 37 -1.818 -10.056 2.133 1.00 5.52 H new ATOM 0 HA3 GLY A 37 -2.423 -11.258 1.011 1.00 5.52 H new ATOM 609 N ASP A 38 -4.334 -9.281 0.121 1.00 52.23 N ATOM 610 CA ASP A 38 -4.825 -8.288 -0.847 1.00 5.33 C ATOM 611 C ASP A 38 -4.510 -6.856 -0.396 1.00 30.33 C ATOM 612 O ASP A 38 -4.878 -6.445 0.707 1.00 14.31 O ATOM 613 CB ASP A 38 -6.341 -8.420 -1.043 1.00 51.21 C ATOM 614 CG ASP A 38 -6.764 -9.749 -1.634 1.00 21.21 C ATOM 615 OD1 ASP A 38 -5.972 -10.360 -2.384 1.00 21.21 O ATOM 616 OD2 ASP A 38 -7.908 -10.177 -1.362 1.00 73.24 O ATOM 0 H ASP A 38 -5.029 -9.976 0.395 1.00 52.23 H new ATOM 0 HA ASP A 38 -4.312 -8.485 -1.788 1.00 5.33 H new ATOM 0 HB2 ASP A 38 -6.836 -8.286 -0.081 1.00 51.21 H new ATOM 0 HB3 ASP A 38 -6.686 -7.616 -1.694 1.00 51.21 H new ATOM 621 N PHE A 39 -3.837 -6.096 -1.256 1.00 23.44 N ATOM 622 CA PHE A 39 -3.502 -4.706 -0.948 1.00 71.24 C ATOM 623 C PHE A 39 -3.615 -3.810 -2.189 1.00 41.44 C ATOM 624 O PHE A 39 -3.318 -4.233 -3.310 1.00 3.14 O ATOM 625 CB PHE A 39 -2.085 -4.611 -0.361 1.00 0.10 C ATOM 626 CG PHE A 39 -0.982 -5.008 -1.319 1.00 22.42 C ATOM 627 CD1 PHE A 39 -0.639 -6.344 -1.497 1.00 65.42 C ATOM 628 CD2 PHE A 39 -0.282 -4.044 -2.036 1.00 75.10 C ATOM 629 CE1 PHE A 39 0.372 -6.706 -2.368 1.00 72.33 C ATOM 630 CE2 PHE A 39 0.729 -4.405 -2.907 1.00 30.35 C ATOM 631 CZ PHE A 39 1.055 -5.736 -3.073 1.00 1.32 C ATOM 0 H PHE A 39 -3.513 -6.416 -2.169 1.00 23.44 H new ATOM 0 HA PHE A 39 -4.221 -4.352 -0.209 1.00 71.24 H new ATOM 0 HB2 PHE A 39 -1.910 -3.587 -0.029 1.00 0.10 H new ATOM 0 HB3 PHE A 39 -2.028 -5.246 0.523 1.00 0.10 H new ATOM 0 HD1 PHE A 39 -1.169 -7.108 -0.948 1.00 65.42 H new ATOM 0 HD2 PHE A 39 -0.531 -3.001 -1.911 1.00 75.10 H new ATOM 0 HE1 PHE A 39 0.627 -7.748 -2.497 1.00 72.33 H new ATOM 0 HE2 PHE A 39 1.264 -3.645 -3.458 1.00 30.35 H new ATOM 0 HZ PHE A 39 1.844 -6.018 -3.754 1.00 1.32 H new ATOM 641 N LEU A 40 -4.055 -2.575 -1.981 1.00 1.44 N ATOM 642 CA LEU A 40 -4.094 -1.581 -3.056 1.00 4.51 C ATOM 643 C LEU A 40 -3.800 -0.177 -2.516 1.00 11.35 C ATOM 644 O LEU A 40 -4.147 0.148 -1.379 1.00 21.23 O ATOM 645 CB LEU A 40 -5.456 -1.572 -3.772 1.00 2.04 C ATOM 646 CG LEU A 40 -6.635 -0.971 -2.976 1.00 12.30 C ATOM 647 CD1 LEU A 40 -7.771 -0.578 -3.914 1.00 35.24 C ATOM 648 CD2 LEU A 40 -7.145 -1.944 -1.917 1.00 71.22 C ATOM 0 H LEU A 40 -4.390 -2.234 -1.080 1.00 1.44 H new ATOM 0 HA LEU A 40 -3.323 -1.862 -3.774 1.00 4.51 H new ATOM 0 HB2 LEU A 40 -5.351 -1.015 -4.703 1.00 2.04 H new ATOM 0 HB3 LEU A 40 -5.710 -2.597 -4.040 1.00 2.04 H new ATOM 0 HG LEU A 40 -6.268 -0.078 -2.469 1.00 12.30 H new ATOM 0 HD11 LEU A 40 -8.592 -0.157 -3.334 1.00 35.24 H new ATOM 0 HD12 LEU A 40 -7.413 0.164 -4.628 1.00 35.24 H new ATOM 0 HD13 LEU A 40 -8.121 -1.460 -4.451 1.00 35.24 H new ATOM 0 HD21 LEU A 40 -7.975 -1.490 -1.375 1.00 71.22 H new ATOM 0 HD22 LEU A 40 -7.485 -2.861 -2.399 1.00 71.22 H new ATOM 0 HD23 LEU A 40 -6.340 -2.177 -1.220 1.00 71.22 H new ATOM 660 N VAL A 41 -3.167 0.651 -3.335 1.00 1.15 N ATOM 661 CA VAL A 41 -2.933 2.051 -2.984 1.00 53.03 C ATOM 662 C VAL A 41 -3.909 2.957 -3.740 1.00 54.13 C ATOM 663 O VAL A 41 -3.903 3.014 -4.974 1.00 0.32 O ATOM 664 CB VAL A 41 -1.477 2.489 -3.295 1.00 2.02 C ATOM 665 CG1 VAL A 41 -1.280 3.981 -3.016 1.00 44.23 C ATOM 666 CG2 VAL A 41 -0.481 1.655 -2.490 1.00 43.30 C ATOM 0 H VAL A 41 -2.805 0.380 -4.249 1.00 1.15 H new ATOM 0 HA VAL A 41 -3.095 2.147 -1.910 1.00 53.03 H new ATOM 0 HB VAL A 41 -1.293 2.318 -4.356 1.00 2.02 H new ATOM 0 HG11 VAL A 41 -0.251 4.261 -3.242 1.00 44.23 H new ATOM 0 HG12 VAL A 41 -1.960 4.561 -3.641 1.00 44.23 H new ATOM 0 HG13 VAL A 41 -1.489 4.185 -1.966 1.00 44.23 H new ATOM 0 HG21 VAL A 41 0.534 1.977 -2.722 1.00 43.30 H new ATOM 0 HG22 VAL A 41 -0.670 1.790 -1.425 1.00 43.30 H new ATOM 0 HG23 VAL A 41 -0.596 0.602 -2.748 1.00 43.30 H new ATOM 676 N ARG A 42 -4.769 3.643 -2.996 1.00 21.45 N ATOM 677 CA ARG A 42 -5.756 4.544 -3.590 1.00 12.43 C ATOM 678 C ARG A 42 -5.389 6.007 -3.319 1.00 54.10 C ATOM 679 O ARG A 42 -4.617 6.310 -2.410 1.00 52.41 O ATOM 680 CB ARG A 42 -7.153 4.254 -3.028 1.00 14.14 C ATOM 681 CG ARG A 42 -7.303 4.609 -1.551 1.00 53.34 C ATOM 682 CD ARG A 42 -8.739 4.441 -1.066 1.00 53.30 C ATOM 683 NE ARG A 42 -8.932 5.020 0.261 1.00 20.22 N ATOM 684 CZ ARG A 42 -9.808 5.951 0.537 1.00 22.22 C ATOM 685 NH1 ARG A 42 -10.580 6.421 -0.389 1.00 15.14 N ATOM 686 NH2 ARG A 42 -9.903 6.413 1.739 1.00 51.23 N ATOM 0 H ARG A 42 -4.805 3.594 -1.978 1.00 21.45 H new ATOM 0 HA ARG A 42 -5.760 4.375 -4.667 1.00 12.43 H new ATOM 0 HB2 ARG A 42 -7.891 4.813 -3.604 1.00 14.14 H new ATOM 0 HB3 ARG A 42 -7.378 3.196 -3.163 1.00 14.14 H new ATOM 0 HG2 ARG A 42 -6.643 3.976 -0.957 1.00 53.34 H new ATOM 0 HG3 ARG A 42 -6.985 5.639 -1.392 1.00 53.34 H new ATOM 0 HD2 ARG A 42 -9.420 4.916 -1.773 1.00 53.30 H new ATOM 0 HD3 ARG A 42 -8.993 3.381 -1.041 1.00 53.30 H new ATOM 0 HE ARG A 42 -8.346 4.676 1.021 1.00 20.22 H new ATOM 0 HH11 ARG A 42 -10.508 6.065 -1.342 1.00 15.14 H new ATOM 0 HH12 ARG A 42 -11.261 7.147 -0.166 1.00 15.14 H new ATOM 0 HH21 ARG A 42 -9.295 6.052 2.474 1.00 51.23 H new ATOM 0 HH22 ARG A 42 -10.586 7.139 1.954 1.00 51.23 H new ATOM 700 N GLU A 43 -5.952 6.908 -4.107 1.00 50.42 N ATOM 701 CA GLU A 43 -5.737 8.344 -3.913 1.00 64.44 C ATOM 702 C GLU A 43 -6.919 8.961 -3.145 1.00 51.01 C ATOM 703 O GLU A 43 -8.081 8.698 -3.461 1.00 53.44 O ATOM 704 CB GLU A 43 -5.559 9.020 -5.277 1.00 33.23 C ATOM 705 CG GLU A 43 -5.109 10.474 -5.212 1.00 62.53 C ATOM 706 CD GLU A 43 -4.998 11.089 -6.596 1.00 53.45 C ATOM 707 OE1 GLU A 43 -3.972 10.853 -7.277 1.00 44.33 O ATOM 708 OE2 GLU A 43 -5.949 11.775 -7.027 1.00 15.24 O ATOM 0 H GLU A 43 -6.563 6.676 -4.890 1.00 50.42 H new ATOM 0 HA GLU A 43 -4.835 8.500 -3.322 1.00 64.44 H new ATOM 0 HB2 GLU A 43 -4.830 8.453 -5.856 1.00 33.23 H new ATOM 0 HB3 GLU A 43 -6.504 8.970 -5.818 1.00 33.23 H new ATOM 0 HG2 GLU A 43 -5.817 11.048 -4.614 1.00 62.53 H new ATOM 0 HG3 GLU A 43 -4.144 10.534 -4.708 1.00 62.53 H new ATOM 715 N SER A 44 -6.616 9.763 -2.129 1.00 24.34 N ATOM 716 CA SER A 44 -7.648 10.348 -1.255 1.00 52.54 C ATOM 717 C SER A 44 -8.530 11.367 -1.988 1.00 61.42 C ATOM 718 O SER A 44 -8.152 11.915 -3.025 1.00 52.23 O ATOM 719 CB SER A 44 -6.999 11.023 -0.043 1.00 1.02 C ATOM 720 OG SER A 44 -7.972 11.505 0.872 1.00 23.11 O ATOM 0 H SER A 44 -5.662 10.028 -1.883 1.00 24.34 H new ATOM 0 HA SER A 44 -8.286 9.526 -0.930 1.00 52.54 H new ATOM 0 HB2 SER A 44 -6.344 10.313 0.462 1.00 1.02 H new ATOM 0 HB3 SER A 44 -6.373 11.850 -0.379 1.00 1.02 H new ATOM 0 HG SER A 44 -7.708 11.268 1.785 1.00 23.11 H new ATOM 726 N HIS A 45 -9.714 11.614 -1.432 1.00 12.04 N ATOM 727 CA HIS A 45 -10.658 12.592 -1.983 1.00 42.23 C ATOM 728 C HIS A 45 -10.584 13.916 -1.206 1.00 54.55 C ATOM 729 O HIS A 45 -10.812 13.949 0.002 1.00 34.12 O ATOM 730 CB HIS A 45 -12.087 12.035 -1.925 1.00 0.44 C ATOM 731 CG HIS A 45 -12.328 10.878 -2.850 1.00 42.42 C ATOM 732 ND1 HIS A 45 -13.365 10.845 -3.755 1.00 12.22 N ATOM 733 CD2 HIS A 45 -11.670 9.702 -2.998 1.00 61.11 C ATOM 734 CE1 HIS A 45 -13.338 9.707 -4.416 1.00 4.40 C ATOM 735 NE2 HIS A 45 -12.321 8.993 -3.978 1.00 12.03 N ATOM 0 H HIS A 45 -10.048 11.145 -0.590 1.00 12.04 H new ATOM 0 HA HIS A 45 -10.388 12.782 -3.022 1.00 42.23 H new ATOM 0 HB2 HIS A 45 -12.303 11.722 -0.904 1.00 0.44 H new ATOM 0 HB3 HIS A 45 -12.788 12.834 -2.168 1.00 0.44 H new ATOM 0 HD1 HIS A 45 -14.050 11.589 -3.892 1.00 12.22 H new ATOM 0 HD2 HIS A 45 -10.797 9.382 -2.448 1.00 61.11 H new ATOM 0 HE1 HIS A 45 -14.033 9.409 -5.187 1.00 4.40 H new ATOM 744 N GLY A 46 -10.260 15.001 -1.901 1.00 52.25 N ATOM 745 CA GLY A 46 -10.173 16.311 -1.261 1.00 12.35 C ATOM 746 C GLY A 46 -8.820 16.575 -0.602 1.00 13.10 C ATOM 747 O GLY A 46 -8.597 17.645 -0.031 1.00 74.41 O ATOM 0 H GLY A 46 -10.054 15.001 -2.900 1.00 52.25 H new ATOM 0 HA2 GLY A 46 -10.363 17.084 -2.005 1.00 12.35 H new ATOM 0 HA3 GLY A 46 -10.957 16.393 -0.509 1.00 12.35 H new ATOM 751 N LYS A 47 -7.914 15.603 -0.681 1.00 71.11 N ATOM 752 CA LYS A 47 -6.572 15.729 -0.103 1.00 11.40 C ATOM 753 C LYS A 47 -5.496 15.347 -1.140 1.00 23.50 C ATOM 754 O LYS A 47 -5.045 14.194 -1.196 1.00 70.40 O ATOM 755 CB LYS A 47 -6.455 14.850 1.152 1.00 34.41 C ATOM 756 CG LYS A 47 -5.087 14.896 1.831 1.00 22.42 C ATOM 757 CD LYS A 47 -4.769 16.267 2.427 1.00 72.10 C ATOM 758 CE LYS A 47 -3.364 16.303 3.020 1.00 52.30 C ATOM 759 NZ LYS A 47 -3.068 17.593 3.698 1.00 0.31 N ATOM 0 H LYS A 47 -8.085 14.710 -1.144 1.00 71.11 H new ATOM 0 HA LYS A 47 -6.410 16.768 0.184 1.00 11.40 H new ATOM 0 HB2 LYS A 47 -7.214 15.161 1.870 1.00 34.41 H new ATOM 0 HB3 LYS A 47 -6.677 13.818 0.880 1.00 34.41 H new ATOM 0 HG2 LYS A 47 -5.052 14.145 2.620 1.00 22.42 H new ATOM 0 HG3 LYS A 47 -4.317 14.632 1.106 1.00 22.42 H new ATOM 0 HD2 LYS A 47 -4.860 17.031 1.655 1.00 72.10 H new ATOM 0 HD3 LYS A 47 -5.498 16.507 3.200 1.00 72.10 H new ATOM 0 HE2 LYS A 47 -3.253 15.487 3.734 1.00 52.30 H new ATOM 0 HE3 LYS A 47 -2.634 16.136 2.228 1.00 52.30 H new ATOM 0 HZ1 LYS A 47 -2.103 17.569 4.084 1.00 0.31 H new ATOM 0 HZ2 LYS A 47 -3.147 18.371 3.013 1.00 0.31 H new ATOM 0 HZ3 LYS A 47 -3.747 17.742 4.472 1.00 0.31 H new ATOM 773 N PRO A 48 -5.079 16.309 -1.989 1.00 34.13 N ATOM 774 CA PRO A 48 -4.110 16.046 -3.069 1.00 64.24 C ATOM 775 C PRO A 48 -2.728 15.615 -2.542 1.00 31.42 C ATOM 776 O PRO A 48 -1.895 16.448 -2.168 1.00 41.54 O ATOM 777 CB PRO A 48 -4.027 17.390 -3.815 1.00 52.35 C ATOM 778 CG PRO A 48 -4.489 18.409 -2.828 1.00 45.00 C ATOM 779 CD PRO A 48 -5.515 17.720 -1.970 1.00 15.10 C ATOM 0 HA PRO A 48 -4.426 15.217 -3.703 1.00 64.24 H new ATOM 0 HB2 PRO A 48 -3.009 17.595 -4.147 1.00 52.35 H new ATOM 0 HB3 PRO A 48 -4.658 17.387 -4.704 1.00 52.35 H new ATOM 0 HG2 PRO A 48 -3.657 18.773 -2.225 1.00 45.00 H new ATOM 0 HG3 PRO A 48 -4.920 19.274 -3.333 1.00 45.00 H new ATOM 0 HD2 PRO A 48 -5.529 18.123 -0.957 1.00 15.10 H new ATOM 0 HD3 PRO A 48 -6.521 17.836 -2.374 1.00 15.10 H new ATOM 787 N GLY A 49 -2.501 14.304 -2.486 1.00 75.40 N ATOM 788 CA GLY A 49 -1.218 13.784 -2.024 1.00 15.13 C ATOM 789 C GLY A 49 -1.350 12.635 -1.032 1.00 5.22 C ATOM 790 O GLY A 49 -0.399 11.881 -0.824 1.00 51.04 O ATOM 0 H GLY A 49 -3.180 13.591 -2.751 1.00 75.40 H new ATOM 0 HA2 GLY A 49 -0.641 13.446 -2.885 1.00 15.13 H new ATOM 0 HA3 GLY A 49 -0.654 14.592 -1.559 1.00 15.13 H new ATOM 794 N GLU A 50 -2.522 12.496 -0.413 1.00 52.41 N ATOM 795 CA GLU A 50 -2.758 11.397 0.530 1.00 13.44 C ATOM 796 C GLU A 50 -3.055 10.090 -0.219 1.00 55.41 C ATOM 797 O GLU A 50 -4.178 9.848 -0.666 1.00 72.40 O ATOM 798 CB GLU A 50 -3.915 11.735 1.485 1.00 21.53 C ATOM 799 CG GLU A 50 -4.222 10.646 2.514 1.00 1.24 C ATOM 800 CD GLU A 50 -5.406 10.992 3.411 1.00 44.23 C ATOM 801 OE1 GLU A 50 -5.236 11.813 4.340 1.00 1.35 O ATOM 802 OE2 GLU A 50 -6.513 10.452 3.191 1.00 5.03 O ATOM 0 H GLU A 50 -3.317 13.122 -0.544 1.00 52.41 H new ATOM 0 HA GLU A 50 -1.851 11.261 1.119 1.00 13.44 H new ATOM 0 HB2 GLU A 50 -3.677 12.659 2.012 1.00 21.53 H new ATOM 0 HB3 GLU A 50 -4.812 11.925 0.896 1.00 21.53 H new ATOM 0 HG2 GLU A 50 -4.428 9.710 1.994 1.00 1.24 H new ATOM 0 HG3 GLU A 50 -3.340 10.480 3.133 1.00 1.24 H new ATOM 809 N TYR A 51 -2.026 9.267 -0.386 1.00 75.50 N ATOM 810 CA TYR A 51 -2.186 7.936 -0.978 1.00 70.14 C ATOM 811 C TYR A 51 -2.304 6.880 0.125 1.00 32.14 C ATOM 812 O TYR A 51 -1.402 6.719 0.949 1.00 0.10 O ATOM 813 CB TYR A 51 -1.012 7.623 -1.918 1.00 31.35 C ATOM 814 CG TYR A 51 -1.029 8.447 -3.193 1.00 50.25 C ATOM 815 CD1 TYR A 51 -0.664 9.788 -3.185 1.00 62.02 C ATOM 816 CD2 TYR A 51 -1.425 7.888 -4.405 1.00 50.32 C ATOM 817 CE1 TYR A 51 -0.691 10.546 -4.339 1.00 54.41 C ATOM 818 CE2 TYR A 51 -1.455 8.641 -5.563 1.00 54.54 C ATOM 819 CZ TYR A 51 -1.088 9.968 -5.524 1.00 51.10 C ATOM 820 OH TYR A 51 -1.122 10.722 -6.675 1.00 54.32 O ATOM 0 H TYR A 51 -1.068 9.495 -0.120 1.00 75.50 H new ATOM 0 HA TYR A 51 -3.103 7.919 -1.568 1.00 70.14 H new ATOM 0 HB2 TYR A 51 -0.075 7.802 -1.390 1.00 31.35 H new ATOM 0 HB3 TYR A 51 -1.035 6.564 -2.177 1.00 31.35 H new ATOM 0 HD1 TYR A 51 -0.353 10.246 -2.258 1.00 62.02 H new ATOM 0 HD2 TYR A 51 -1.714 6.848 -4.441 1.00 50.32 H new ATOM 0 HE1 TYR A 51 -0.402 11.586 -4.312 1.00 54.41 H new ATOM 0 HE2 TYR A 51 -1.765 8.191 -6.495 1.00 54.54 H new ATOM 0 HH TYR A 51 -2.051 10.828 -6.969 1.00 54.32 H new ATOM 830 N VAL A 52 -3.428 6.167 0.134 1.00 1.34 N ATOM 831 CA VAL A 52 -3.746 5.230 1.212 1.00 23.42 C ATOM 832 C VAL A 52 -3.605 3.765 0.769 1.00 51.01 C ATOM 833 O VAL A 52 -4.300 3.306 -0.142 1.00 14.02 O ATOM 834 CB VAL A 52 -5.189 5.458 1.737 1.00 2.21 C ATOM 835 CG1 VAL A 52 -5.506 4.519 2.903 1.00 15.45 C ATOM 836 CG2 VAL A 52 -5.390 6.919 2.143 1.00 24.34 C ATOM 0 H VAL A 52 -4.138 6.220 -0.597 1.00 1.34 H new ATOM 0 HA VAL A 52 -3.027 5.422 2.008 1.00 23.42 H new ATOM 0 HB VAL A 52 -5.883 5.229 0.928 1.00 2.21 H new ATOM 0 HG11 VAL A 52 -6.523 4.701 3.251 1.00 15.45 H new ATOM 0 HG12 VAL A 52 -5.415 3.484 2.572 1.00 15.45 H new ATOM 0 HG13 VAL A 52 -4.806 4.702 3.718 1.00 15.45 H new ATOM 0 HG21 VAL A 52 -6.407 7.058 2.508 1.00 24.34 H new ATOM 0 HG22 VAL A 52 -4.683 7.178 2.931 1.00 24.34 H new ATOM 0 HG23 VAL A 52 -5.223 7.563 1.279 1.00 24.34 H new ATOM 846 N LEU A 53 -2.712 3.041 1.437 1.00 12.33 N ATOM 847 CA LEU A 53 -2.527 1.608 1.203 1.00 14.20 C ATOM 848 C LEU A 53 -3.499 0.793 2.072 1.00 4.44 C ATOM 849 O LEU A 53 -3.406 0.793 3.301 1.00 22.10 O ATOM 850 CB LEU A 53 -1.076 1.203 1.518 1.00 10.32 C ATOM 851 CG LEU A 53 -0.768 -0.307 1.435 1.00 23.04 C ATOM 852 CD1 LEU A 53 -0.993 -0.835 0.019 1.00 21.42 C ATOM 853 CD2 LEU A 53 0.662 -0.588 1.890 1.00 22.55 C ATOM 0 H LEU A 53 -2.097 3.427 2.154 1.00 12.33 H new ATOM 0 HA LEU A 53 -2.735 1.398 0.154 1.00 14.20 H new ATOM 0 HB2 LEU A 53 -0.414 1.728 0.829 1.00 10.32 H new ATOM 0 HB3 LEU A 53 -0.831 1.550 2.522 1.00 10.32 H new ATOM 0 HG LEU A 53 -1.453 -0.828 2.103 1.00 23.04 H new ATOM 0 HD11 LEU A 53 -0.769 -1.901 -0.012 1.00 21.42 H new ATOM 0 HD12 LEU A 53 -2.032 -0.674 -0.268 1.00 21.42 H new ATOM 0 HD13 LEU A 53 -0.339 -0.307 -0.675 1.00 21.42 H new ATOM 0 HD21 LEU A 53 0.861 -1.658 1.825 1.00 22.55 H new ATOM 0 HD22 LEU A 53 1.360 -0.049 1.249 1.00 22.55 H new ATOM 0 HD23 LEU A 53 0.787 -0.258 2.921 1.00 22.55 H new ATOM 865 N SER A 54 -4.441 0.117 1.423 1.00 74.15 N ATOM 866 CA SER A 54 -5.431 -0.711 2.121 1.00 62.05 C ATOM 867 C SER A 54 -5.138 -2.201 1.914 1.00 62.34 C ATOM 868 O SER A 54 -5.168 -2.693 0.787 1.00 55.21 O ATOM 869 CB SER A 54 -6.847 -0.381 1.624 1.00 21.45 C ATOM 870 OG SER A 54 -7.161 0.994 1.833 1.00 14.52 O ATOM 0 H SER A 54 -4.544 0.124 0.408 1.00 74.15 H new ATOM 0 HA SER A 54 -5.368 -0.491 3.187 1.00 62.05 H new ATOM 0 HB2 SER A 54 -6.927 -0.617 0.563 1.00 21.45 H new ATOM 0 HB3 SER A 54 -7.573 -1.005 2.145 1.00 21.45 H new ATOM 0 HG SER A 54 -7.306 1.155 2.789 1.00 14.52 H new ATOM 876 N VAL A 55 -4.856 -2.908 3.006 1.00 42.21 N ATOM 877 CA VAL A 55 -4.501 -4.335 2.946 1.00 35.15 C ATOM 878 C VAL A 55 -5.394 -5.185 3.868 1.00 5.52 C ATOM 879 O VAL A 55 -5.764 -4.764 4.964 1.00 51.33 O ATOM 880 CB VAL A 55 -3.008 -4.553 3.308 1.00 54.22 C ATOM 881 CG1 VAL A 55 -2.693 -4.000 4.698 1.00 44.45 C ATOM 882 CG2 VAL A 55 -2.625 -6.032 3.203 1.00 62.30 C ATOM 0 H VAL A 55 -4.865 -2.520 3.949 1.00 42.21 H new ATOM 0 HA VAL A 55 -4.667 -4.661 1.919 1.00 35.15 H new ATOM 0 HB VAL A 55 -2.406 -4.002 2.586 1.00 54.22 H new ATOM 0 HG11 VAL A 55 -1.640 -4.166 4.926 1.00 44.45 H new ATOM 0 HG12 VAL A 55 -2.905 -2.931 4.721 1.00 44.45 H new ATOM 0 HG13 VAL A 55 -3.309 -4.508 5.440 1.00 44.45 H new ATOM 0 HG21 VAL A 55 -1.573 -6.155 3.462 1.00 62.30 H new ATOM 0 HG22 VAL A 55 -3.238 -6.616 3.889 1.00 62.30 H new ATOM 0 HG23 VAL A 55 -2.790 -6.379 2.183 1.00 62.30 H new ATOM 892 N TYR A 56 -5.738 -6.388 3.414 1.00 45.11 N ATOM 893 CA TYR A 56 -6.610 -7.293 4.176 1.00 54.35 C ATOM 894 C TYR A 56 -5.793 -8.229 5.084 1.00 23.31 C ATOM 895 O TYR A 56 -5.088 -9.115 4.603 1.00 41.25 O ATOM 896 CB TYR A 56 -7.465 -8.117 3.200 1.00 53.02 C ATOM 897 CG TYR A 56 -8.623 -8.869 3.841 1.00 13.33 C ATOM 898 CD1 TYR A 56 -8.448 -10.136 4.392 1.00 14.02 C ATOM 899 CD2 TYR A 56 -9.898 -8.316 3.875 1.00 1.30 C ATOM 900 CE1 TYR A 56 -9.506 -10.823 4.957 1.00 11.34 C ATOM 901 CE2 TYR A 56 -10.961 -8.999 4.434 1.00 34.02 C ATOM 902 CZ TYR A 56 -10.761 -10.252 4.975 1.00 63.14 C ATOM 903 OH TYR A 56 -11.826 -10.938 5.521 1.00 52.22 O ATOM 0 H TYR A 56 -5.427 -6.764 2.518 1.00 45.11 H new ATOM 0 HA TYR A 56 -7.256 -6.692 4.816 1.00 54.35 H new ATOM 0 HB2 TYR A 56 -7.863 -7.450 2.436 1.00 53.02 H new ATOM 0 HB3 TYR A 56 -6.821 -8.835 2.692 1.00 53.02 H new ATOM 0 HD1 TYR A 56 -7.468 -10.590 4.378 1.00 14.02 H new ATOM 0 HD2 TYR A 56 -10.061 -7.334 3.456 1.00 1.30 H new ATOM 0 HE1 TYR A 56 -9.350 -11.803 5.383 1.00 11.34 H new ATOM 0 HE2 TYR A 56 -11.945 -8.554 4.447 1.00 34.02 H new ATOM 0 HH TYR A 56 -12.637 -10.391 5.453 1.00 52.22 H new ATOM 913 N SER A 57 -5.899 -8.035 6.396 1.00 34.21 N ATOM 914 CA SER A 57 -5.214 -8.900 7.374 1.00 52.01 C ATOM 915 C SER A 57 -6.057 -9.066 8.645 1.00 60.44 C ATOM 916 O SER A 57 -6.696 -8.116 9.094 1.00 42.44 O ATOM 917 CB SER A 57 -3.830 -8.337 7.741 1.00 4.41 C ATOM 918 OG SER A 57 -3.146 -9.207 8.631 1.00 51.20 O ATOM 0 H SER A 57 -6.452 -7.287 6.815 1.00 34.21 H new ATOM 0 HA SER A 57 -5.082 -9.876 6.907 1.00 52.01 H new ATOM 0 HB2 SER A 57 -3.238 -8.198 6.836 1.00 4.41 H new ATOM 0 HB3 SER A 57 -3.943 -7.356 8.201 1.00 4.41 H new ATOM 0 HG SER A 57 -3.502 -9.094 9.537 1.00 51.20 H new ATOM 924 N ASP A 58 -6.071 -10.279 9.203 1.00 1.35 N ATOM 925 CA ASP A 58 -6.859 -10.587 10.416 1.00 25.22 C ATOM 926 C ASP A 58 -8.371 -10.496 10.151 1.00 71.52 C ATOM 927 O ASP A 58 -9.173 -10.494 11.084 1.00 13.10 O ATOM 928 CB ASP A 58 -6.488 -9.636 11.567 1.00 63.32 C ATOM 929 CG ASP A 58 -5.010 -9.662 11.895 1.00 51.24 C ATOM 930 OD1 ASP A 58 -4.593 -10.503 12.715 1.00 73.03 O ATOM 931 OD2 ASP A 58 -4.257 -8.832 11.342 1.00 61.42 O ATOM 0 H ASP A 58 -5.545 -11.073 8.837 1.00 1.35 H new ATOM 0 HA ASP A 58 -6.617 -11.611 10.699 1.00 25.22 H new ATOM 0 HB2 ASP A 58 -6.779 -8.620 11.301 1.00 63.32 H new ATOM 0 HB3 ASP A 58 -7.058 -9.908 12.455 1.00 63.32 H new ATOM 936 N GLY A 59 -8.755 -10.440 8.878 1.00 34.12 N ATOM 937 CA GLY A 59 -10.150 -10.194 8.523 1.00 74.43 C ATOM 938 C GLY A 59 -10.503 -8.708 8.539 1.00 45.41 C ATOM 939 O GLY A 59 -11.645 -8.324 8.287 1.00 73.31 O ATOM 0 H GLY A 59 -8.127 -10.560 8.083 1.00 34.12 H new ATOM 0 HA2 GLY A 59 -10.346 -10.600 7.531 1.00 74.43 H new ATOM 0 HA3 GLY A 59 -10.798 -10.726 9.219 1.00 74.43 H new ATOM 943 N GLN A 60 -9.510 -7.876 8.838 1.00 32.53 N ATOM 944 CA GLN A 60 -9.680 -6.419 8.909 1.00 55.34 C ATOM 945 C GLN A 60 -8.901 -5.717 7.788 1.00 51.21 C ATOM 946 O GLN A 60 -7.778 -6.110 7.463 1.00 64.43 O ATOM 947 CB GLN A 60 -9.181 -5.910 10.270 1.00 50.14 C ATOM 948 CG GLN A 60 -10.006 -6.401 11.459 1.00 32.32 C ATOM 949 CD GLN A 60 -9.348 -6.088 12.795 1.00 2.01 C ATOM 950 OE1 GLN A 60 -9.552 -5.030 13.379 1.00 43.22 O ATOM 951 NE2 GLN A 60 -8.558 -7.017 13.293 1.00 12.34 N ATOM 0 H GLN A 60 -8.560 -8.189 9.039 1.00 32.53 H new ATOM 0 HA GLN A 60 -10.739 -6.192 8.789 1.00 55.34 H new ATOM 0 HB2 GLN A 60 -8.146 -6.223 10.406 1.00 50.14 H new ATOM 0 HB3 GLN A 60 -9.186 -4.820 10.263 1.00 50.14 H new ATOM 0 HG2 GLN A 60 -10.993 -5.940 11.427 1.00 32.32 H new ATOM 0 HG3 GLN A 60 -10.154 -7.478 11.374 1.00 32.32 H new ATOM 0 HE21 GLN A 60 -8.409 -7.887 12.782 1.00 12.34 H new ATOM 0 HE22 GLN A 60 -8.096 -6.866 14.190 1.00 12.34 H new ATOM 960 N ARG A 61 -9.494 -4.682 7.200 1.00 25.25 N ATOM 961 CA ARG A 61 -8.805 -3.891 6.174 1.00 24.03 C ATOM 962 C ARG A 61 -7.954 -2.782 6.811 1.00 52.45 C ATOM 963 O ARG A 61 -8.476 -1.752 7.244 1.00 52.23 O ATOM 964 CB ARG A 61 -9.802 -3.267 5.179 1.00 12.33 C ATOM 965 CG ARG A 61 -10.460 -4.259 4.217 1.00 21.33 C ATOM 966 CD ARG A 61 -11.593 -5.053 4.859 1.00 11.05 C ATOM 967 NE ARG A 61 -12.263 -5.914 3.882 1.00 61.20 N ATOM 968 CZ ARG A 61 -13.556 -5.951 3.688 1.00 34.24 C ATOM 969 NH1 ARG A 61 -14.357 -5.216 4.394 1.00 23.14 N ATOM 970 NH2 ARG A 61 -14.049 -6.730 2.785 1.00 3.33 N ATOM 0 H ARG A 61 -10.442 -4.370 7.411 1.00 25.25 H new ATOM 0 HA ARG A 61 -8.152 -4.574 5.631 1.00 24.03 H new ATOM 0 HB2 ARG A 61 -10.583 -2.757 5.742 1.00 12.33 H new ATOM 0 HB3 ARG A 61 -9.282 -2.507 4.595 1.00 12.33 H new ATOM 0 HG2 ARG A 61 -10.848 -3.717 3.354 1.00 21.33 H new ATOM 0 HG3 ARG A 61 -9.704 -4.951 3.845 1.00 21.33 H new ATOM 0 HD2 ARG A 61 -11.197 -5.662 5.672 1.00 11.05 H new ATOM 0 HD3 ARG A 61 -12.317 -4.367 5.298 1.00 11.05 H new ATOM 0 HE ARG A 61 -11.680 -6.528 3.313 1.00 61.20 H new ATOM 0 HH11 ARG A 61 -13.981 -4.598 5.113 1.00 23.14 H new ATOM 0 HH12 ARG A 61 -15.363 -5.256 4.231 1.00 23.14 H new ATOM 0 HH21 ARG A 61 -13.431 -7.316 2.224 1.00 3.33 H new ATOM 0 HH22 ARG A 61 -15.057 -6.760 2.632 1.00 3.33 H new ATOM 984 N ARG A 62 -6.640 -2.998 6.857 1.00 72.52 N ATOM 985 CA ARG A 62 -5.703 -2.000 7.384 1.00 65.53 C ATOM 986 C ARG A 62 -5.551 -0.832 6.399 1.00 21.35 C ATOM 987 O ARG A 62 -5.537 -1.036 5.185 1.00 23.24 O ATOM 988 CB ARG A 62 -4.324 -2.633 7.632 1.00 52.20 C ATOM 989 CG ARG A 62 -4.314 -3.832 8.585 1.00 35.30 C ATOM 990 CD ARG A 62 -4.779 -3.465 9.997 1.00 52.15 C ATOM 991 NE ARG A 62 -4.146 -4.296 11.026 1.00 14.43 N ATOM 992 CZ ARG A 62 -4.317 -5.585 11.167 1.00 64.21 C ATOM 993 NH1 ARG A 62 -5.113 -6.249 10.390 1.00 14.31 N ATOM 994 NH2 ARG A 62 -3.686 -6.211 12.106 1.00 2.11 N ATOM 0 H ARG A 62 -6.196 -3.858 6.535 1.00 72.52 H new ATOM 0 HA ARG A 62 -6.104 -1.628 8.327 1.00 65.53 H new ATOM 0 HB2 ARG A 62 -3.910 -2.948 6.674 1.00 52.20 H new ATOM 0 HB3 ARG A 62 -3.658 -1.868 8.031 1.00 52.20 H new ATOM 0 HG2 ARG A 62 -4.959 -4.614 8.186 1.00 35.30 H new ATOM 0 HG3 ARG A 62 -3.306 -4.244 8.634 1.00 35.30 H new ATOM 0 HD2 ARG A 62 -4.553 -2.416 10.190 1.00 52.15 H new ATOM 0 HD3 ARG A 62 -5.862 -3.574 10.060 1.00 52.15 H new ATOM 0 HE ARG A 62 -3.522 -3.831 11.685 1.00 14.43 H new ATOM 0 HH11 ARG A 62 -5.622 -5.767 9.649 1.00 14.31 H new ATOM 0 HH12 ARG A 62 -5.230 -7.254 10.519 1.00 14.31 H new ATOM 0 HH21 ARG A 62 -3.061 -5.700 12.729 1.00 2.11 H new ATOM 0 HH22 ARG A 62 -3.813 -7.216 12.224 1.00 2.11 H new ATOM 1008 N HIS A 63 -5.447 0.393 6.914 1.00 51.44 N ATOM 1009 CA HIS A 63 -5.282 1.573 6.055 1.00 75.41 C ATOM 1010 C HIS A 63 -4.072 2.414 6.490 1.00 71.12 C ATOM 1011 O HIS A 63 -4.034 2.938 7.603 1.00 64.41 O ATOM 1012 CB HIS A 63 -6.555 2.427 6.086 1.00 2.13 C ATOM 1013 CG HIS A 63 -7.794 1.662 5.735 1.00 54.23 C ATOM 1014 ND1 HIS A 63 -8.085 1.243 4.453 1.00 10.04 N ATOM 1015 CD2 HIS A 63 -8.821 1.226 6.508 1.00 62.43 C ATOM 1016 CE1 HIS A 63 -9.227 0.590 4.452 1.00 34.30 C ATOM 1017 NE2 HIS A 63 -9.694 0.564 5.682 1.00 40.24 N ATOM 0 H HIS A 63 -5.473 0.597 7.913 1.00 51.44 H new ATOM 0 HA HIS A 63 -5.104 1.228 5.037 1.00 75.41 H new ATOM 0 HB2 HIS A 63 -6.672 2.856 7.081 1.00 2.13 H new ATOM 0 HB3 HIS A 63 -6.442 3.259 5.391 1.00 2.13 H new ATOM 0 HD2 HIS A 63 -8.930 1.373 7.572 1.00 62.43 H new ATOM 0 HE1 HIS A 63 -9.701 0.150 3.587 1.00 34.30 H new ATOM 0 HE2 HIS A 63 -10.566 0.122 5.975 1.00 40.24 H new ATOM 1026 N PHE A 64 -3.088 2.543 5.603 1.00 51.04 N ATOM 1027 CA PHE A 64 -1.875 3.323 5.890 1.00 32.43 C ATOM 1028 C PHE A 64 -1.707 4.477 4.888 1.00 65.33 C ATOM 1029 O PHE A 64 -2.044 4.345 3.715 1.00 62.55 O ATOM 1030 CB PHE A 64 -0.640 2.411 5.845 1.00 51.54 C ATOM 1031 CG PHE A 64 -0.710 1.236 6.793 1.00 41.11 C ATOM 1032 CD1 PHE A 64 -0.538 1.413 8.160 1.00 31.54 C ATOM 1033 CD2 PHE A 64 -0.945 -0.048 6.317 1.00 24.44 C ATOM 1034 CE1 PHE A 64 -0.601 0.338 9.028 1.00 44.11 C ATOM 1035 CE2 PHE A 64 -1.007 -1.124 7.181 1.00 73.32 C ATOM 1036 CZ PHE A 64 -0.834 -0.931 8.537 1.00 61.20 C ATOM 0 H PHE A 64 -3.102 2.118 4.676 1.00 51.04 H new ATOM 0 HA PHE A 64 -1.976 3.749 6.888 1.00 32.43 H new ATOM 0 HB2 PHE A 64 -0.513 2.038 4.829 1.00 51.54 H new ATOM 0 HB3 PHE A 64 0.245 3.003 6.080 1.00 51.54 H new ATOM 0 HD1 PHE A 64 -0.353 2.403 8.550 1.00 31.54 H new ATOM 0 HD2 PHE A 64 -1.081 -0.207 5.257 1.00 24.44 H new ATOM 0 HE1 PHE A 64 -0.468 0.491 10.089 1.00 44.11 H new ATOM 0 HE2 PHE A 64 -1.191 -2.116 6.796 1.00 73.32 H new ATOM 0 HZ PHE A 64 -0.881 -1.772 9.213 1.00 61.20 H new ATOM 1046 N ILE A 65 -1.186 5.610 5.355 1.00 72.23 N ATOM 1047 CA ILE A 65 -0.965 6.783 4.494 1.00 21.24 C ATOM 1048 C ILE A 65 0.532 6.971 4.192 1.00 20.12 C ATOM 1049 O ILE A 65 1.372 6.790 5.071 1.00 71.41 O ATOM 1050 CB ILE A 65 -1.522 8.073 5.154 1.00 43.14 C ATOM 1051 CG1 ILE A 65 -3.028 7.920 5.439 1.00 43.33 C ATOM 1052 CG2 ILE A 65 -1.258 9.294 4.269 1.00 34.11 C ATOM 1053 CD1 ILE A 65 -3.643 9.114 6.148 1.00 2.53 C ATOM 0 H ILE A 65 -0.907 5.746 6.326 1.00 72.23 H new ATOM 0 HA ILE A 65 -1.497 6.604 3.560 1.00 21.24 H new ATOM 0 HB ILE A 65 -1.005 8.227 6.101 1.00 43.14 H new ATOM 0 HG12 ILE A 65 -3.552 7.760 4.497 1.00 43.33 H new ATOM 0 HG13 ILE A 65 -3.184 7.029 6.046 1.00 43.33 H new ATOM 0 HG21 ILE A 65 -1.657 10.186 4.752 1.00 34.11 H new ATOM 0 HG22 ILE A 65 -0.184 9.411 4.121 1.00 34.11 H new ATOM 0 HG23 ILE A 65 -1.744 9.156 3.303 1.00 34.11 H new ATOM 0 HD11 ILE A 65 -4.705 8.932 6.314 1.00 2.53 H new ATOM 0 HD12 ILE A 65 -3.146 9.263 7.107 1.00 2.53 H new ATOM 0 HD13 ILE A 65 -3.520 10.005 5.533 1.00 2.53 H new ATOM 1065 N ILE A 66 0.855 7.323 2.947 1.00 5.20 N ATOM 1066 CA ILE A 66 2.252 7.540 2.537 1.00 22.04 C ATOM 1067 C ILE A 66 2.724 8.971 2.853 1.00 43.34 C ATOM 1068 O ILE A 66 2.262 9.937 2.243 1.00 3.13 O ATOM 1069 CB ILE A 66 2.438 7.282 1.016 1.00 52.52 C ATOM 1070 CG1 ILE A 66 1.936 5.877 0.643 1.00 70.33 C ATOM 1071 CG2 ILE A 66 3.906 7.457 0.614 1.00 44.34 C ATOM 1072 CD1 ILE A 66 2.061 5.542 -0.831 1.00 54.41 C ATOM 0 H ILE A 66 0.173 7.465 2.202 1.00 5.20 H new ATOM 0 HA ILE A 66 2.853 6.831 3.106 1.00 22.04 H new ATOM 0 HB ILE A 66 1.846 8.015 0.468 1.00 52.52 H new ATOM 0 HG12 ILE A 66 2.494 5.139 1.220 1.00 70.33 H new ATOM 0 HG13 ILE A 66 0.890 5.787 0.937 1.00 70.33 H new ATOM 0 HG21 ILE A 66 4.015 7.272 -0.455 1.00 44.34 H new ATOM 0 HG22 ILE A 66 4.227 8.474 0.841 1.00 44.34 H new ATOM 0 HG23 ILE A 66 4.522 6.750 1.169 1.00 44.34 H new ATOM 0 HD11 ILE A 66 1.685 4.534 -1.008 1.00 54.41 H new ATOM 0 HD12 ILE A 66 1.480 6.254 -1.417 1.00 54.41 H new ATOM 0 HD13 ILE A 66 3.108 5.596 -1.129 1.00 54.41 H new ATOM 1084 N GLN A 67 3.649 9.106 3.804 1.00 62.12 N ATOM 1085 CA GLN A 67 4.236 10.411 4.135 1.00 21.51 C ATOM 1086 C GLN A 67 5.488 10.693 3.288 1.00 73.21 C ATOM 1087 O GLN A 67 6.431 9.897 3.264 1.00 34.51 O ATOM 1088 CB GLN A 67 4.597 10.501 5.631 1.00 54.14 C ATOM 1089 CG GLN A 67 3.390 10.511 6.571 1.00 5.42 C ATOM 1090 CD GLN A 67 2.693 9.166 6.666 1.00 41.33 C ATOM 1091 OE1 GLN A 67 3.323 8.118 6.572 1.00 64.44 O ATOM 1092 NE2 GLN A 67 1.389 9.181 6.851 1.00 75.11 N ATOM 0 H GLN A 67 4.010 8.330 4.360 1.00 62.12 H new ATOM 0 HA GLN A 67 3.481 11.164 3.909 1.00 21.51 H new ATOM 0 HB2 GLN A 67 5.237 9.657 5.890 1.00 54.14 H new ATOM 0 HB3 GLN A 67 5.180 11.407 5.798 1.00 54.14 H new ATOM 0 HG2 GLN A 67 3.715 10.815 7.566 1.00 5.42 H new ATOM 0 HG3 GLN A 67 2.676 11.259 6.227 1.00 5.42 H new ATOM 0 HE21 GLN A 67 0.895 10.070 6.925 1.00 75.11 H new ATOM 0 HE22 GLN A 67 0.874 8.304 6.920 1.00 75.11 H new ATOM 1101 N TYR A 68 5.490 11.828 2.593 1.00 2.12 N ATOM 1102 CA TYR A 68 6.642 12.248 1.787 1.00 51.54 C ATOM 1103 C TYR A 68 7.575 13.157 2.602 1.00 52.42 C ATOM 1104 O TYR A 68 7.304 14.345 2.783 1.00 41.23 O ATOM 1105 CB TYR A 68 6.162 12.969 0.519 1.00 70.22 C ATOM 1106 CG TYR A 68 7.284 13.457 -0.384 1.00 12.40 C ATOM 1107 CD1 TYR A 68 8.196 12.564 -0.940 1.00 14.14 C ATOM 1108 CD2 TYR A 68 7.424 14.807 -0.690 1.00 12.44 C ATOM 1109 CE1 TYR A 68 9.208 13.003 -1.770 1.00 54.11 C ATOM 1110 CE2 TYR A 68 8.434 15.252 -1.517 1.00 40.40 C ATOM 1111 CZ TYR A 68 9.324 14.348 -2.054 1.00 20.33 C ATOM 1112 OH TYR A 68 10.328 14.789 -2.886 1.00 22.41 O ATOM 0 H TYR A 68 4.705 12.478 2.570 1.00 2.12 H new ATOM 0 HA TYR A 68 7.204 11.360 1.496 1.00 51.54 H new ATOM 0 HB2 TYR A 68 5.522 12.294 -0.049 1.00 70.22 H new ATOM 0 HB3 TYR A 68 5.548 13.821 0.810 1.00 70.22 H new ATOM 0 HD1 TYR A 68 8.110 11.510 -0.718 1.00 14.14 H new ATOM 0 HD2 TYR A 68 6.729 15.520 -0.272 1.00 12.44 H new ATOM 0 HE1 TYR A 68 9.906 12.297 -2.195 1.00 54.11 H new ATOM 0 HE2 TYR A 68 8.527 16.304 -1.743 1.00 40.40 H new ATOM 0 HH TYR A 68 10.268 15.762 -2.983 1.00 22.41 H new ATOM 1122 N VAL A 69 8.670 12.583 3.101 1.00 11.41 N ATOM 1123 CA VAL A 69 9.603 13.303 3.980 1.00 64.15 C ATOM 1124 C VAL A 69 11.054 13.197 3.473 1.00 34.13 C ATOM 1125 O VAL A 69 11.564 12.096 3.276 1.00 44.42 O ATOM 1126 CB VAL A 69 9.532 12.738 5.425 1.00 5.12 C ATOM 1127 CG1 VAL A 69 10.466 13.503 6.356 1.00 44.15 C ATOM 1128 CG2 VAL A 69 8.096 12.764 5.952 1.00 14.04 C ATOM 0 H VAL A 69 8.937 11.617 2.912 1.00 11.41 H new ATOM 0 HA VAL A 69 9.306 14.352 3.976 1.00 64.15 H new ATOM 0 HB VAL A 69 9.862 11.700 5.396 1.00 5.12 H new ATOM 0 HG11 VAL A 69 10.398 13.088 7.362 1.00 44.15 H new ATOM 0 HG12 VAL A 69 11.491 13.415 5.996 1.00 44.15 H new ATOM 0 HG13 VAL A 69 10.178 14.554 6.377 1.00 44.15 H new ATOM 0 HG21 VAL A 69 8.073 12.363 6.965 1.00 14.04 H new ATOM 0 HG22 VAL A 69 7.730 13.791 5.959 1.00 14.04 H new ATOM 0 HG23 VAL A 69 7.461 12.157 5.307 1.00 14.04 H new ATOM 1138 N ASP A 70 11.706 14.346 3.260 1.00 71.33 N ATOM 1139 CA ASP A 70 13.113 14.386 2.816 1.00 3.21 C ATOM 1140 C ASP A 70 13.344 13.569 1.529 1.00 73.24 C ATOM 1141 O ASP A 70 14.323 12.825 1.419 1.00 54.10 O ATOM 1142 CB ASP A 70 14.041 13.898 3.942 1.00 64.03 C ATOM 1143 CG ASP A 70 14.219 14.937 5.037 1.00 24.41 C ATOM 1144 OD1 ASP A 70 13.344 15.042 5.921 1.00 61.12 O ATOM 1145 OD2 ASP A 70 15.237 15.663 5.017 1.00 10.30 O ATOM 0 H ASP A 70 11.284 15.266 3.387 1.00 71.33 H new ATOM 0 HA ASP A 70 13.351 15.423 2.581 1.00 3.21 H new ATOM 0 HB2 ASP A 70 13.634 12.984 4.375 1.00 64.03 H new ATOM 0 HB3 ASP A 70 15.015 13.645 3.523 1.00 64.03 H new ATOM 1150 N ASN A 71 12.452 13.748 0.549 1.00 44.12 N ATOM 1151 CA ASN A 71 12.513 13.024 -0.736 1.00 20.15 C ATOM 1152 C ASN A 71 12.270 11.511 -0.566 1.00 14.22 C ATOM 1153 O ASN A 71 12.491 10.734 -1.491 1.00 32.41 O ATOM 1154 CB ASN A 71 13.856 13.259 -1.445 1.00 14.53 C ATOM 1155 CG ASN A 71 14.120 14.730 -1.713 1.00 71.34 C ATOM 1156 OD1 ASN A 71 13.705 15.278 -2.729 1.00 73.31 O ATOM 1157 ND2 ASN A 71 14.814 15.381 -0.804 1.00 35.02 N ATOM 0 H ASN A 71 11.667 14.396 0.619 1.00 44.12 H new ATOM 0 HA ASN A 71 11.710 13.426 -1.354 1.00 20.15 H new ATOM 0 HB2 ASN A 71 14.662 12.854 -0.834 1.00 14.53 H new ATOM 0 HB3 ASN A 71 13.866 12.713 -2.388 1.00 14.53 H new ATOM 0 HD21 ASN A 71 15.021 16.371 -0.933 1.00 35.02 H new ATOM 0 HD22 ASN A 71 15.144 14.895 0.030 1.00 35.02 H new ATOM 1164 N MET A 72 11.799 11.102 0.609 1.00 25.52 N ATOM 1165 CA MET A 72 11.534 9.687 0.886 1.00 11.42 C ATOM 1166 C MET A 72 10.038 9.430 1.129 1.00 0.23 C ATOM 1167 O MET A 72 9.434 10.015 2.032 1.00 52.32 O ATOM 1168 CB MET A 72 12.340 9.229 2.110 1.00 65.24 C ATOM 1169 CG MET A 72 13.841 9.446 1.982 1.00 4.24 C ATOM 1170 SD MET A 72 14.748 8.893 3.442 1.00 0.40 S ATOM 1171 CE MET A 72 16.433 9.266 2.960 1.00 62.52 C ATOM 0 H MET A 72 11.592 11.728 1.387 1.00 25.52 H new ATOM 0 HA MET A 72 11.840 9.116 0.010 1.00 11.42 H new ATOM 0 HB2 MET A 72 11.980 9.763 2.989 1.00 65.24 H new ATOM 0 HB3 MET A 72 12.150 8.169 2.281 1.00 65.24 H new ATOM 0 HG2 MET A 72 14.209 8.911 1.106 1.00 4.24 H new ATOM 0 HG3 MET A 72 14.039 10.505 1.815 1.00 4.24 H new ATOM 0 HE1 MET A 72 17.113 8.979 3.762 1.00 62.52 H new ATOM 0 HE2 MET A 72 16.684 8.711 2.056 1.00 62.52 H new ATOM 0 HE3 MET A 72 16.528 10.335 2.768 1.00 62.52 H new ATOM 1181 N TYR A 73 9.449 8.556 0.317 1.00 51.25 N ATOM 1182 CA TYR A 73 8.075 8.091 0.534 1.00 72.02 C ATOM 1183 C TYR A 73 8.070 6.944 1.551 1.00 64.43 C ATOM 1184 O TYR A 73 8.615 5.870 1.291 1.00 31.13 O ATOM 1185 CB TYR A 73 7.448 7.630 -0.789 1.00 21.25 C ATOM 1186 CG TYR A 73 7.299 8.741 -1.815 1.00 21.24 C ATOM 1187 CD1 TYR A 73 6.159 9.536 -1.843 1.00 40.12 C ATOM 1188 CD2 TYR A 73 8.297 8.992 -2.754 1.00 34.21 C ATOM 1189 CE1 TYR A 73 6.015 10.547 -2.776 1.00 21.01 C ATOM 1190 CE2 TYR A 73 8.160 10.002 -3.689 1.00 51.23 C ATOM 1191 CZ TYR A 73 7.018 10.776 -3.696 1.00 62.04 C ATOM 1192 OH TYR A 73 6.878 11.781 -4.627 1.00 11.20 O ATOM 0 H TYR A 73 9.902 8.152 -0.503 1.00 51.25 H new ATOM 0 HA TYR A 73 7.482 8.917 0.925 1.00 72.02 H new ATOM 0 HB2 TYR A 73 8.061 6.835 -1.214 1.00 21.25 H new ATOM 0 HB3 TYR A 73 6.467 7.201 -0.586 1.00 21.25 H new ATOM 0 HD1 TYR A 73 5.372 9.361 -1.124 1.00 40.12 H new ATOM 0 HD2 TYR A 73 9.192 8.388 -2.752 1.00 34.21 H new ATOM 0 HE1 TYR A 73 5.122 11.154 -2.785 1.00 21.01 H new ATOM 0 HE2 TYR A 73 8.943 10.184 -4.410 1.00 51.23 H new ATOM 0 HH TYR A 73 7.673 11.810 -5.199 1.00 11.20 H new ATOM 1202 N ARG A 74 7.460 7.178 2.707 1.00 43.24 N ATOM 1203 CA ARG A 74 7.536 6.233 3.827 1.00 33.14 C ATOM 1204 C ARG A 74 6.212 6.108 4.591 1.00 25.54 C ATOM 1205 O ARG A 74 5.339 6.970 4.505 1.00 62.04 O ATOM 1206 CB ARG A 74 8.632 6.687 4.803 1.00 21.32 C ATOM 1207 CG ARG A 74 8.614 8.190 5.090 1.00 62.23 C ATOM 1208 CD ARG A 74 9.030 8.505 6.521 1.00 32.24 C ATOM 1209 NE ARG A 74 8.001 8.100 7.478 1.00 64.35 N ATOM 1210 CZ ARG A 74 8.139 8.148 8.776 1.00 62.01 C ATOM 1211 NH1 ARG A 74 9.250 8.542 9.309 1.00 14.41 N ATOM 1212 NH2 ARG A 74 7.160 7.792 9.540 1.00 34.00 N ATOM 0 H ARG A 74 6.906 8.013 2.898 1.00 43.24 H new ATOM 0 HA ARG A 74 7.766 5.255 3.405 1.00 33.14 H new ATOM 0 HB2 ARG A 74 8.518 6.145 5.742 1.00 21.32 H new ATOM 0 HB3 ARG A 74 9.605 6.415 4.395 1.00 21.32 H new ATOM 0 HG2 ARG A 74 9.285 8.699 4.398 1.00 62.23 H new ATOM 0 HG3 ARG A 74 7.613 8.581 4.910 1.00 62.23 H new ATOM 0 HD2 ARG A 74 9.964 7.993 6.751 1.00 32.24 H new ATOM 0 HD3 ARG A 74 9.220 9.574 6.619 1.00 32.24 H new ATOM 0 HE ARG A 74 7.115 7.757 7.107 1.00 64.35 H new ATOM 0 HH11 ARG A 74 10.031 8.820 8.714 1.00 14.41 H new ATOM 0 HH12 ARG A 74 9.345 8.575 10.324 1.00 14.41 H new ATOM 0 HH21 ARG A 74 6.282 7.474 9.129 1.00 34.00 H new ATOM 0 HH22 ARG A 74 7.265 7.828 10.554 1.00 34.00 H new ATOM 1226 N PHE A 75 6.084 5.020 5.350 1.00 4.22 N ATOM 1227 CA PHE A 75 4.970 4.841 6.288 1.00 35.02 C ATOM 1228 C PHE A 75 5.469 4.963 7.741 1.00 54.20 C ATOM 1229 O PHE A 75 5.338 6.013 8.376 1.00 24.30 O ATOM 1230 CB PHE A 75 4.295 3.470 6.100 1.00 73.22 C ATOM 1231 CG PHE A 75 3.628 3.263 4.762 1.00 21.21 C ATOM 1232 CD1 PHE A 75 2.364 3.777 4.517 1.00 64.12 C ATOM 1233 CD2 PHE A 75 4.253 2.531 3.760 1.00 64.32 C ATOM 1234 CE1 PHE A 75 1.738 3.566 3.303 1.00 72.15 C ATOM 1235 CE2 PHE A 75 3.630 2.321 2.543 1.00 61.22 C ATOM 1236 CZ PHE A 75 2.371 2.837 2.316 1.00 0.31 C ATOM 0 H PHE A 75 6.743 4.242 5.335 1.00 4.22 H new ATOM 0 HA PHE A 75 4.239 5.623 6.082 1.00 35.02 H new ATOM 0 HB2 PHE A 75 5.045 2.691 6.239 1.00 73.22 H new ATOM 0 HB3 PHE A 75 3.550 3.339 6.884 1.00 73.22 H new ATOM 0 HD1 PHE A 75 1.863 4.349 5.284 1.00 64.12 H new ATOM 0 HD2 PHE A 75 5.237 2.121 3.933 1.00 64.32 H new ATOM 0 HE1 PHE A 75 0.753 3.972 3.126 1.00 72.15 H new ATOM 0 HE2 PHE A 75 4.129 1.754 1.771 1.00 61.22 H new ATOM 0 HZ PHE A 75 1.881 2.671 1.368 1.00 0.31 H new ATOM 1246 N GLU A 76 6.068 3.882 8.243 1.00 54.30 N ATOM 1247 CA GLU A 76 6.522 3.805 9.636 1.00 31.03 C ATOM 1248 C GLU A 76 7.969 4.296 9.808 1.00 54.41 C ATOM 1249 O GLU A 76 8.212 5.340 10.414 1.00 61.54 O ATOM 1250 CB GLU A 76 6.412 2.357 10.127 1.00 63.21 C ATOM 1251 CG GLU A 76 6.905 2.143 11.554 1.00 34.41 C ATOM 1252 CD GLU A 76 6.973 0.673 11.929 1.00 74.40 C ATOM 1253 OE1 GLU A 76 7.973 0.011 11.575 1.00 45.24 O ATOM 1254 OE2 GLU A 76 6.036 0.171 12.579 1.00 24.35 O ATOM 0 H GLU A 76 6.252 3.038 7.700 1.00 54.30 H new ATOM 0 HA GLU A 76 5.882 4.460 10.227 1.00 31.03 H new ATOM 0 HB2 GLU A 76 5.371 2.041 10.063 1.00 63.21 H new ATOM 0 HB3 GLU A 76 6.982 1.713 9.457 1.00 63.21 H new ATOM 0 HG2 GLU A 76 7.893 2.589 11.665 1.00 34.41 H new ATOM 0 HG3 GLU A 76 6.242 2.661 12.246 1.00 34.41 H new ATOM 1261 N GLY A 77 8.928 3.525 9.290 1.00 43.41 N ATOM 1262 CA GLY A 77 10.339 3.861 9.464 1.00 62.42 C ATOM 1263 C GLY A 77 11.015 4.355 8.188 1.00 42.14 C ATOM 1264 O GLY A 77 10.957 5.540 7.867 1.00 55.43 O ATOM 0 H GLY A 77 8.755 2.675 8.754 1.00 43.41 H new ATOM 0 HA2 GLY A 77 10.428 4.629 10.232 1.00 62.42 H new ATOM 0 HA3 GLY A 77 10.870 2.982 9.829 1.00 62.42 H new ATOM 1268 N THR A 78 11.656 3.441 7.459 1.00 55.43 N ATOM 1269 CA THR A 78 12.432 3.807 6.262 1.00 33.32 C ATOM 1270 C THR A 78 11.542 4.215 5.080 1.00 11.03 C ATOM 1271 O THR A 78 10.340 3.932 5.056 1.00 51.33 O ATOM 1272 CB THR A 78 13.360 2.653 5.812 1.00 74.10 C ATOM 1273 OG1 THR A 78 14.222 3.096 4.750 1.00 3.12 O ATOM 1274 CG2 THR A 78 12.559 1.438 5.346 1.00 61.02 C ATOM 0 H THR A 78 11.657 2.443 7.671 1.00 55.43 H new ATOM 0 HA THR A 78 13.032 4.668 6.555 1.00 33.32 H new ATOM 0 HB THR A 78 13.960 2.357 6.673 1.00 74.10 H new ATOM 0 HG1 THR A 78 14.806 2.359 4.474 1.00 3.12 H new ATOM 0 HG21 THR A 78 13.243 0.648 5.038 1.00 61.02 H new ATOM 0 HG22 THR A 78 11.934 1.079 6.164 1.00 61.02 H new ATOM 0 HG23 THR A 78 11.927 1.720 4.504 1.00 61.02 H new ATOM 1282 N GLY A 79 12.150 4.866 4.088 1.00 62.10 N ATOM 1283 CA GLY A 79 11.411 5.347 2.925 1.00 10.30 C ATOM 1284 C GLY A 79 12.172 5.165 1.615 1.00 32.52 C ATOM 1285 O GLY A 79 13.377 4.894 1.614 1.00 71.22 O ATOM 0 H GLY A 79 13.149 5.071 4.068 1.00 62.10 H new ATOM 0 HA2 GLY A 79 10.460 4.818 2.862 1.00 10.30 H new ATOM 0 HA3 GLY A 79 11.180 6.404 3.060 1.00 10.30 H new ATOM 1289 N PHE A 80 11.469 5.312 0.492 1.00 10.05 N ATOM 1290 CA PHE A 80 12.069 5.130 -0.836 1.00 3.42 C ATOM 1291 C PHE A 80 11.869 6.366 -1.724 1.00 55.12 C ATOM 1292 O PHE A 80 10.922 7.128 -1.543 1.00 53.23 O ATOM 1293 CB PHE A 80 11.471 3.890 -1.518 1.00 33.53 C ATOM 1294 CG PHE A 80 11.804 2.600 -0.809 1.00 62.20 C ATOM 1295 CD1 PHE A 80 11.115 2.220 0.334 1.00 34.53 C ATOM 1296 CD2 PHE A 80 12.809 1.768 -1.280 1.00 74.21 C ATOM 1297 CE1 PHE A 80 11.419 1.045 0.991 1.00 63.33 C ATOM 1298 CE2 PHE A 80 13.115 0.592 -0.627 1.00 71.42 C ATOM 1299 CZ PHE A 80 12.421 0.229 0.510 1.00 23.53 C ATOM 0 H PHE A 80 10.479 5.558 0.473 1.00 10.05 H new ATOM 0 HA PHE A 80 13.141 4.989 -0.700 1.00 3.42 H new ATOM 0 HB2 PHE A 80 10.388 3.999 -1.569 1.00 33.53 H new ATOM 0 HB3 PHE A 80 11.835 3.837 -2.544 1.00 33.53 H new ATOM 0 HD1 PHE A 80 10.328 2.854 0.716 1.00 34.53 H new ATOM 0 HD2 PHE A 80 13.358 2.044 -2.168 1.00 74.21 H new ATOM 0 HE1 PHE A 80 10.873 0.765 1.880 1.00 63.33 H new ATOM 0 HE2 PHE A 80 13.899 -0.046 -1.006 1.00 71.42 H new ATOM 0 HZ PHE A 80 12.662 -0.691 1.021 1.00 23.53 H new ATOM 1309 N SER A 81 12.762 6.538 -2.698 1.00 10.54 N ATOM 1310 CA SER A 81 12.735 7.705 -3.603 1.00 1.14 C ATOM 1311 C SER A 81 11.439 7.787 -4.432 1.00 64.11 C ATOM 1312 O SER A 81 11.071 8.854 -4.919 1.00 41.53 O ATOM 1313 CB SER A 81 13.950 7.665 -4.546 1.00 50.43 C ATOM 1314 OG SER A 81 13.936 8.743 -5.472 1.00 74.23 O ATOM 0 H SER A 81 13.521 5.884 -2.888 1.00 10.54 H new ATOM 0 HA SER A 81 12.774 8.595 -2.975 1.00 1.14 H new ATOM 0 HB2 SER A 81 14.867 7.703 -3.958 1.00 50.43 H new ATOM 0 HB3 SER A 81 13.958 6.720 -5.089 1.00 50.43 H new ATOM 0 HG SER A 81 14.723 8.685 -6.053 1.00 74.23 H new ATOM 1320 N ASN A 82 10.748 6.656 -4.591 1.00 54.21 N ATOM 1321 CA ASN A 82 9.527 6.599 -5.413 1.00 10.14 C ATOM 1322 C ASN A 82 8.433 5.752 -4.743 1.00 71.44 C ATOM 1323 O ASN A 82 8.727 4.743 -4.101 1.00 22.31 O ATOM 1324 CB ASN A 82 9.843 6.005 -6.794 1.00 23.15 C ATOM 1325 CG ASN A 82 10.821 6.845 -7.595 1.00 21.45 C ATOM 1326 OD1 ASN A 82 10.428 7.704 -8.371 1.00 24.45 O ATOM 1327 ND2 ASN A 82 12.103 6.597 -7.419 1.00 3.33 N ATOM 0 H ASN A 82 11.009 5.767 -4.164 1.00 54.21 H new ATOM 0 HA ASN A 82 9.160 7.620 -5.521 1.00 10.14 H new ATOM 0 HB2 ASN A 82 10.253 5.003 -6.667 1.00 23.15 H new ATOM 0 HB3 ASN A 82 8.916 5.900 -7.358 1.00 23.15 H new ATOM 0 HD21 ASN A 82 12.801 7.129 -7.938 1.00 3.33 H new ATOM 0 HD22 ASN A 82 12.397 5.873 -6.763 1.00 3.33 H new ATOM 1334 N ILE A 83 7.170 6.155 -4.923 1.00 62.41 N ATOM 1335 CA ILE A 83 6.024 5.376 -4.423 1.00 51.43 C ATOM 1336 C ILE A 83 6.039 3.927 -4.968 1.00 45.22 C ATOM 1337 O ILE A 83 5.920 2.974 -4.195 1.00 13.02 O ATOM 1338 CB ILE A 83 4.663 6.046 -4.778 1.00 43.21 C ATOM 1339 CG1 ILE A 83 4.556 7.435 -4.126 1.00 62.21 C ATOM 1340 CG2 ILE A 83 3.490 5.159 -4.350 1.00 24.31 C ATOM 1341 CD1 ILE A 83 3.256 8.160 -4.421 1.00 24.04 C ATOM 0 H ILE A 83 6.913 7.014 -5.410 1.00 62.41 H new ATOM 0 HA ILE A 83 6.125 5.349 -3.338 1.00 51.43 H new ATOM 0 HB ILE A 83 4.619 6.169 -5.860 1.00 43.21 H new ATOM 0 HG12 ILE A 83 4.662 7.327 -3.047 1.00 62.21 H new ATOM 0 HG13 ILE A 83 5.388 8.050 -4.468 1.00 62.21 H new ATOM 0 HG21 ILE A 83 2.551 5.648 -4.608 1.00 24.31 H new ATOM 0 HG22 ILE A 83 3.553 4.200 -4.864 1.00 24.31 H new ATOM 0 HG23 ILE A 83 3.530 4.997 -3.273 1.00 24.31 H new ATOM 0 HD11 ILE A 83 3.260 9.131 -3.925 1.00 24.04 H new ATOM 0 HD12 ILE A 83 3.155 8.303 -5.497 1.00 24.04 H new ATOM 0 HD13 ILE A 83 2.418 7.568 -4.053 1.00 24.04 H new ATOM 1353 N PRO A 84 6.191 3.728 -6.306 1.00 74.03 N ATOM 1354 CA PRO A 84 6.277 2.378 -6.889 1.00 62.43 C ATOM 1355 C PRO A 84 7.417 1.542 -6.282 1.00 62.24 C ATOM 1356 O PRO A 84 7.276 0.339 -6.090 1.00 53.45 O ATOM 1357 CB PRO A 84 6.524 2.634 -8.391 1.00 21.10 C ATOM 1358 CG PRO A 84 6.956 4.061 -8.481 1.00 20.51 C ATOM 1359 CD PRO A 84 6.265 4.769 -7.350 1.00 72.13 C ATOM 0 HA PRO A 84 5.374 1.800 -6.693 1.00 62.43 H new ATOM 0 HB2 PRO A 84 7.290 1.965 -8.783 1.00 21.10 H new ATOM 0 HB3 PRO A 84 5.620 2.459 -8.974 1.00 21.10 H new ATOM 0 HG2 PRO A 84 8.039 4.148 -8.394 1.00 20.51 H new ATOM 0 HG3 PRO A 84 6.678 4.494 -9.442 1.00 20.51 H new ATOM 0 HD2 PRO A 84 6.829 5.639 -7.014 1.00 72.13 H new ATOM 0 HD3 PRO A 84 5.275 5.122 -7.639 1.00 72.13 H new ATOM 1367 N GLN A 85 8.537 2.195 -5.966 1.00 32.33 N ATOM 1368 CA GLN A 85 9.698 1.511 -5.375 1.00 4.22 C ATOM 1369 C GLN A 85 9.445 1.120 -3.910 1.00 11.34 C ATOM 1370 O GLN A 85 9.946 0.103 -3.432 1.00 53.43 O ATOM 1371 CB GLN A 85 10.941 2.404 -5.486 1.00 64.44 C ATOM 1372 CG GLN A 85 11.387 2.651 -6.926 1.00 21.35 C ATOM 1373 CD GLN A 85 11.858 1.383 -7.620 1.00 3.21 C ATOM 1374 OE1 GLN A 85 13.034 1.042 -7.578 1.00 3.44 O ATOM 1375 NE2 GLN A 85 10.947 0.665 -8.249 1.00 4.53 N ATOM 0 H GLN A 85 8.669 3.196 -6.108 1.00 32.33 H new ATOM 0 HA GLN A 85 9.865 0.589 -5.932 1.00 4.22 H new ATOM 0 HB2 GLN A 85 10.734 3.362 -5.009 1.00 64.44 H new ATOM 0 HB3 GLN A 85 11.760 1.943 -4.934 1.00 64.44 H new ATOM 0 HG2 GLN A 85 10.560 3.083 -7.489 1.00 21.35 H new ATOM 0 HG3 GLN A 85 12.193 3.384 -6.932 1.00 21.35 H new ATOM 0 HE21 GLN A 85 9.976 0.975 -8.266 1.00 4.53 H new ATOM 0 HE22 GLN A 85 11.214 -0.200 -8.718 1.00 4.53 H new ATOM 1384 N LEU A 86 8.665 1.936 -3.207 1.00 31.22 N ATOM 1385 CA LEU A 86 8.259 1.640 -1.827 1.00 43.25 C ATOM 1386 C LEU A 86 7.556 0.270 -1.743 1.00 54.42 C ATOM 1387 O LEU A 86 7.963 -0.613 -0.973 1.00 31.32 O ATOM 1388 CB LEU A 86 7.338 2.766 -1.321 1.00 65.44 C ATOM 1389 CG LEU A 86 6.748 2.586 0.092 1.00 14.33 C ATOM 1390 CD1 LEU A 86 7.849 2.439 1.138 1.00 31.15 C ATOM 1391 CD2 LEU A 86 5.834 3.763 0.437 1.00 55.34 C ATOM 0 H LEU A 86 8.296 2.815 -3.569 1.00 31.22 H new ATOM 0 HA LEU A 86 9.144 1.590 -1.193 1.00 43.25 H new ATOM 0 HB2 LEU A 86 7.899 3.701 -1.341 1.00 65.44 H new ATOM 0 HB3 LEU A 86 6.513 2.874 -2.025 1.00 65.44 H new ATOM 0 HG LEU A 86 6.159 1.669 0.098 1.00 14.33 H new ATOM 0 HD11 LEU A 86 7.400 2.314 2.123 1.00 31.15 H new ATOM 0 HD12 LEU A 86 8.459 1.567 0.904 1.00 31.15 H new ATOM 0 HD13 LEU A 86 8.475 3.331 1.135 1.00 31.15 H new ATOM 0 HD21 LEU A 86 5.424 3.624 1.437 1.00 55.34 H new ATOM 0 HD22 LEU A 86 6.407 4.690 0.405 1.00 55.34 H new ATOM 0 HD23 LEU A 86 5.019 3.815 -0.285 1.00 55.34 H new ATOM 1403 N ILE A 87 6.513 0.099 -2.554 1.00 63.32 N ATOM 1404 CA ILE A 87 5.771 -1.164 -2.617 1.00 13.25 C ATOM 1405 C ILE A 87 6.605 -2.279 -3.275 1.00 22.45 C ATOM 1406 O ILE A 87 6.711 -3.383 -2.740 1.00 72.42 O ATOM 1407 CB ILE A 87 4.441 -0.986 -3.396 1.00 52.23 C ATOM 1408 CG1 ILE A 87 3.545 0.061 -2.705 1.00 31.21 C ATOM 1409 CG2 ILE A 87 3.704 -2.320 -3.539 1.00 42.13 C ATOM 1410 CD1 ILE A 87 3.171 -0.289 -1.277 1.00 72.40 C ATOM 0 H ILE A 87 6.160 0.822 -3.181 1.00 63.32 H new ATOM 0 HA ILE A 87 5.550 -1.456 -1.590 1.00 13.25 H new ATOM 0 HB ILE A 87 4.681 -0.627 -4.397 1.00 52.23 H new ATOM 0 HG12 ILE A 87 4.058 1.022 -2.709 1.00 31.21 H new ATOM 0 HG13 ILE A 87 2.633 0.184 -3.288 1.00 31.21 H new ATOM 0 HG21 ILE A 87 2.776 -2.166 -4.089 1.00 42.13 H new ATOM 0 HG22 ILE A 87 4.333 -3.027 -4.080 1.00 42.13 H new ATOM 0 HG23 ILE A 87 3.478 -2.719 -2.550 1.00 42.13 H new ATOM 0 HD11 ILE A 87 2.540 0.498 -0.863 1.00 72.40 H new ATOM 0 HD12 ILE A 87 2.628 -1.234 -1.264 1.00 72.40 H new ATOM 0 HD13 ILE A 87 4.076 -0.383 -0.676 1.00 72.40 H new ATOM 1422 N ASP A 88 7.205 -1.971 -4.427 1.00 3.21 N ATOM 1423 CA ASP A 88 8.037 -2.934 -5.167 1.00 42.32 C ATOM 1424 C ASP A 88 9.110 -3.581 -4.277 1.00 64.25 C ATOM 1425 O ASP A 88 9.211 -4.809 -4.195 1.00 45.41 O ATOM 1426 CB ASP A 88 8.703 -2.232 -6.362 1.00 35.11 C ATOM 1427 CG ASP A 88 9.803 -3.062 -7.007 1.00 23.02 C ATOM 1428 OD1 ASP A 88 9.485 -3.977 -7.789 1.00 4.55 O ATOM 1429 OD2 ASP A 88 10.995 -2.799 -6.720 1.00 22.00 O ATOM 0 H ASP A 88 7.132 -1.057 -4.873 1.00 3.21 H new ATOM 0 HA ASP A 88 7.383 -3.731 -5.519 1.00 42.32 H new ATOM 0 HB2 ASP A 88 7.944 -2.003 -7.110 1.00 35.11 H new ATOM 0 HB3 ASP A 88 9.121 -1.282 -6.030 1.00 35.11 H new ATOM 1434 N HIS A 89 9.909 -2.758 -3.605 1.00 33.02 N ATOM 1435 CA HIS A 89 11.001 -3.274 -2.781 1.00 71.20 C ATOM 1436 C HIS A 89 10.467 -4.034 -1.560 1.00 33.32 C ATOM 1437 O HIS A 89 11.056 -5.028 -1.143 1.00 53.23 O ATOM 1438 CB HIS A 89 11.940 -2.145 -2.343 1.00 54.05 C ATOM 1439 CG HIS A 89 13.299 -2.627 -1.919 1.00 42.22 C ATOM 1440 ND1 HIS A 89 14.281 -2.977 -2.820 1.00 52.12 N ATOM 1441 CD2 HIS A 89 13.845 -2.812 -0.689 1.00 72.44 C ATOM 1442 CE1 HIS A 89 15.364 -3.353 -2.171 1.00 0.12 C ATOM 1443 NE2 HIS A 89 15.127 -3.261 -0.882 1.00 73.42 N ATOM 0 H HIS A 89 9.824 -1.742 -3.613 1.00 33.02 H new ATOM 0 HA HIS A 89 11.570 -3.975 -3.392 1.00 71.20 H new ATOM 0 HB2 HIS A 89 12.054 -1.438 -3.165 1.00 54.05 H new ATOM 0 HB3 HIS A 89 11.482 -1.602 -1.517 1.00 54.05 H new ATOM 0 HD2 HIS A 89 13.361 -2.638 0.261 1.00 72.44 H new ATOM 0 HE1 HIS A 89 16.289 -3.681 -2.622 1.00 0.12 H new ATOM 0 HE2 HIS A 89 15.791 -3.488 -0.142 1.00 73.42 H new ATOM 1452 N HIS A 90 9.350 -3.573 -0.987 1.00 24.54 N ATOM 1453 CA HIS A 90 8.712 -4.299 0.124 1.00 0.44 C ATOM 1454 C HIS A 90 8.152 -5.659 -0.326 1.00 32.32 C ATOM 1455 O HIS A 90 8.185 -6.629 0.431 1.00 74.04 O ATOM 1456 CB HIS A 90 7.603 -3.456 0.771 1.00 0.31 C ATOM 1457 CG HIS A 90 8.088 -2.606 1.903 1.00 51.34 C ATOM 1458 ND1 HIS A 90 8.383 -1.268 1.772 1.00 25.13 N ATOM 1459 CD2 HIS A 90 8.325 -2.916 3.202 1.00 64.34 C ATOM 1460 CE1 HIS A 90 8.780 -0.790 2.935 1.00 25.54 C ATOM 1461 NE2 HIS A 90 8.752 -1.768 3.820 1.00 12.13 N ATOM 0 H HIS A 90 8.873 -2.716 -1.266 1.00 24.54 H new ATOM 0 HA HIS A 90 9.487 -4.486 0.867 1.00 0.44 H new ATOM 0 HB2 HIS A 90 7.154 -2.816 0.012 1.00 0.31 H new ATOM 0 HB3 HIS A 90 6.818 -4.119 1.134 1.00 0.31 H new ATOM 0 HD1 HIS A 90 8.306 -0.730 0.909 1.00 25.13 H new ATOM 0 HD2 HIS A 90 8.201 -3.885 3.663 1.00 64.34 H new ATOM 0 HE1 HIS A 90 9.078 0.230 3.130 1.00 25.54 H new ATOM 1470 N TYR A 91 7.646 -5.727 -1.555 1.00 15.13 N ATOM 1471 CA TYR A 91 7.088 -6.978 -2.089 1.00 13.43 C ATOM 1472 C TYR A 91 8.208 -7.966 -2.457 1.00 52.14 C ATOM 1473 O TYR A 91 8.150 -9.142 -2.105 1.00 45.04 O ATOM 1474 CB TYR A 91 6.205 -6.693 -3.313 1.00 44.33 C ATOM 1475 CG TYR A 91 5.323 -7.865 -3.713 1.00 3.44 C ATOM 1476 CD1 TYR A 91 5.803 -8.883 -4.532 1.00 25.10 C ATOM 1477 CD2 TYR A 91 4.012 -7.957 -3.257 1.00 3.13 C ATOM 1478 CE1 TYR A 91 5.001 -9.954 -4.885 1.00 64.50 C ATOM 1479 CE2 TYR A 91 3.207 -9.024 -3.605 1.00 25.32 C ATOM 1480 CZ TYR A 91 3.705 -10.019 -4.416 1.00 12.24 C ATOM 1481 OH TYR A 91 2.903 -11.086 -4.762 1.00 63.55 O ATOM 0 H TYR A 91 7.608 -4.938 -2.201 1.00 15.13 H new ATOM 0 HA TYR A 91 6.473 -7.433 -1.312 1.00 13.43 H new ATOM 0 HB2 TYR A 91 5.574 -5.830 -3.102 1.00 44.33 H new ATOM 0 HB3 TYR A 91 6.842 -6.424 -4.156 1.00 44.33 H new ATOM 0 HD1 TYR A 91 6.818 -8.836 -4.898 1.00 25.10 H new ATOM 0 HD2 TYR A 91 3.617 -7.180 -2.619 1.00 3.13 H new ATOM 0 HE1 TYR A 91 5.387 -10.734 -5.524 1.00 64.50 H new ATOM 0 HE2 TYR A 91 2.191 -9.078 -3.242 1.00 25.32 H new ATOM 0 HH TYR A 91 2.752 -11.650 -3.975 1.00 63.55 H new ATOM 1491 N THR A 92 9.230 -7.473 -3.156 1.00 54.22 N ATOM 1492 CA THR A 92 10.364 -8.312 -3.584 1.00 51.14 C ATOM 1493 C THR A 92 11.187 -8.820 -2.390 1.00 43.44 C ATOM 1494 O THR A 92 11.686 -9.947 -2.405 1.00 10.51 O ATOM 1495 CB THR A 92 11.296 -7.559 -4.566 1.00 33.25 C ATOM 1496 OG1 THR A 92 11.741 -6.320 -3.987 1.00 51.42 O ATOM 1497 CG2 THR A 92 10.589 -7.282 -5.891 1.00 22.20 C ATOM 0 H THR A 92 9.302 -6.496 -3.441 1.00 54.22 H new ATOM 0 HA THR A 92 9.929 -9.169 -4.097 1.00 51.14 H new ATOM 0 HB THR A 92 12.159 -8.196 -4.759 1.00 33.25 H new ATOM 0 HG1 THR A 92 10.996 -5.684 -3.963 1.00 51.42 H new ATOM 0 HG21 THR A 92 11.266 -6.753 -6.561 1.00 22.20 H new ATOM 0 HG22 THR A 92 10.290 -8.225 -6.348 1.00 22.20 H new ATOM 0 HG23 THR A 92 9.705 -6.670 -5.711 1.00 22.20 H new ATOM 1505 N THR A 93 11.339 -7.988 -1.358 1.00 52.04 N ATOM 1506 CA THR A 93 11.966 -8.429 -0.098 1.00 31.44 C ATOM 1507 C THR A 93 10.957 -9.181 0.775 1.00 23.32 C ATOM 1508 O THR A 93 11.330 -9.838 1.752 1.00 54.11 O ATOM 1509 CB THR A 93 12.544 -7.248 0.724 1.00 21.43 C ATOM 1510 OG1 THR A 93 11.492 -6.360 1.136 1.00 74.54 O ATOM 1511 CG2 THR A 93 13.585 -6.475 -0.085 1.00 61.51 C ATOM 0 H THR A 93 11.041 -7.012 -1.363 1.00 52.04 H new ATOM 0 HA THR A 93 12.787 -9.087 -0.382 1.00 31.44 H new ATOM 0 HB THR A 93 13.029 -7.662 1.608 1.00 21.43 H new ATOM 0 HG1 THR A 93 11.106 -5.922 0.349 1.00 74.54 H new ATOM 0 HG21 THR A 93 13.974 -5.652 0.515 1.00 61.51 H new ATOM 0 HG22 THR A 93 14.402 -7.143 -0.359 1.00 61.51 H new ATOM 0 HG23 THR A 93 13.122 -6.078 -0.989 1.00 61.51 H new ATOM 1519 N LYS A 94 9.679 -9.069 0.410 1.00 21.45 N ATOM 1520 CA LYS A 94 8.582 -9.745 1.110 1.00 42.31 C ATOM 1521 C LYS A 94 8.589 -9.400 2.610 1.00 62.25 C ATOM 1522 O LYS A 94 8.438 -10.268 3.474 1.00 64.24 O ATOM 1523 CB LYS A 94 8.666 -11.270 0.877 1.00 51.44 C ATOM 1524 CG LYS A 94 7.306 -11.967 0.871 1.00 62.21 C ATOM 1525 CD LYS A 94 6.369 -11.362 -0.177 1.00 62.45 C ATOM 1526 CE LYS A 94 5.079 -12.158 -0.327 1.00 51.40 C ATOM 1527 NZ LYS A 94 5.321 -13.511 -0.891 1.00 34.42 N ATOM 0 H LYS A 94 9.373 -8.505 -0.383 1.00 21.45 H new ATOM 0 HA LYS A 94 7.635 -9.391 0.703 1.00 42.31 H new ATOM 0 HB2 LYS A 94 9.164 -11.456 -0.075 1.00 51.44 H new ATOM 0 HB3 LYS A 94 9.288 -11.714 1.654 1.00 51.44 H new ATOM 0 HG2 LYS A 94 7.442 -13.029 0.669 1.00 62.21 H new ATOM 0 HG3 LYS A 94 6.850 -11.886 1.858 1.00 62.21 H new ATOM 0 HD2 LYS A 94 6.130 -10.336 0.102 1.00 62.45 H new ATOM 0 HD3 LYS A 94 6.881 -11.320 -1.138 1.00 62.45 H new ATOM 0 HE2 LYS A 94 4.596 -12.252 0.646 1.00 51.40 H new ATOM 0 HE3 LYS A 94 4.391 -11.614 -0.973 1.00 51.40 H new ATOM 0 HZ1 LYS A 94 4.416 -13.933 -1.181 1.00 34.42 H new ATOM 0 HZ2 LYS A 94 5.949 -13.436 -1.717 1.00 34.42 H new ATOM 0 HZ3 LYS A 94 5.768 -14.113 -0.170 1.00 34.42 H new ATOM 1541 N GLN A 95 8.765 -8.114 2.909 1.00 33.40 N ATOM 1542 CA GLN A 95 8.836 -7.631 4.292 1.00 0.43 C ATOM 1543 C GLN A 95 7.616 -6.783 4.668 1.00 54.14 C ATOM 1544 O GLN A 95 6.906 -6.262 3.804 1.00 62.12 O ATOM 1545 CB GLN A 95 10.128 -6.826 4.509 1.00 14.23 C ATOM 1546 CG GLN A 95 11.391 -7.679 4.453 1.00 71.44 C ATOM 1547 CD GLN A 95 11.393 -8.785 5.494 1.00 60.15 C ATOM 1548 OE1 GLN A 95 11.876 -8.610 6.609 1.00 11.34 O ATOM 1549 NE2 GLN A 95 10.835 -9.926 5.146 1.00 40.21 N ATOM 0 H GLN A 95 8.862 -7.380 2.207 1.00 33.40 H new ATOM 0 HA GLN A 95 8.841 -8.505 4.943 1.00 0.43 H new ATOM 0 HB2 GLN A 95 10.192 -6.045 3.751 1.00 14.23 H new ATOM 0 HB3 GLN A 95 10.078 -6.327 5.477 1.00 14.23 H new ATOM 0 HG2 GLN A 95 11.485 -8.119 3.460 1.00 71.44 H new ATOM 0 HG3 GLN A 95 12.263 -7.042 4.603 1.00 71.44 H new ATOM 0 HE21 GLN A 95 10.443 -10.038 4.211 1.00 40.21 H new ATOM 0 HE22 GLN A 95 10.795 -10.698 5.812 1.00 40.21 H new ATOM 1558 N VAL A 96 7.388 -6.650 5.969 1.00 70.22 N ATOM 1559 CA VAL A 96 6.246 -5.899 6.492 1.00 1.34 C ATOM 1560 C VAL A 96 6.299 -4.403 6.129 1.00 5.12 C ATOM 1561 O VAL A 96 7.374 -3.814 5.981 1.00 12.53 O ATOM 1562 CB VAL A 96 6.153 -6.032 8.032 1.00 34.43 C ATOM 1563 CG1 VAL A 96 5.910 -7.483 8.442 1.00 5.34 C ATOM 1564 CG2 VAL A 96 7.416 -5.488 8.694 1.00 31.12 C ATOM 0 H VAL A 96 7.984 -7.056 6.690 1.00 70.22 H new ATOM 0 HA VAL A 96 5.364 -6.334 6.023 1.00 1.34 H new ATOM 0 HB VAL A 96 5.304 -5.440 8.373 1.00 34.43 H new ATOM 0 HG11 VAL A 96 5.849 -7.549 9.528 1.00 5.34 H new ATOM 0 HG12 VAL A 96 4.975 -7.833 8.004 1.00 5.34 H new ATOM 0 HG13 VAL A 96 6.732 -8.104 8.087 1.00 5.34 H new ATOM 0 HG21 VAL A 96 7.332 -5.590 9.776 1.00 31.12 H new ATOM 0 HG22 VAL A 96 8.282 -6.049 8.342 1.00 31.12 H new ATOM 0 HG23 VAL A 96 7.537 -4.436 8.437 1.00 31.12 H new ATOM 1574 N ILE A 97 5.122 -3.801 5.979 1.00 45.45 N ATOM 1575 CA ILE A 97 5.005 -2.356 5.769 1.00 22.42 C ATOM 1576 C ILE A 97 5.307 -1.589 7.065 1.00 34.23 C ATOM 1577 O ILE A 97 6.106 -0.649 7.078 1.00 35.52 O ATOM 1578 CB ILE A 97 3.585 -1.990 5.262 1.00 2.15 C ATOM 1579 CG1 ILE A 97 3.358 -2.572 3.859 1.00 72.44 C ATOM 1580 CG2 ILE A 97 3.372 -0.475 5.255 1.00 72.34 C ATOM 1581 CD1 ILE A 97 4.330 -2.046 2.820 1.00 13.13 C ATOM 0 H ILE A 97 4.229 -4.293 5.999 1.00 45.45 H new ATOM 0 HA ILE A 97 5.736 -2.069 5.013 1.00 22.42 H new ATOM 0 HB ILE A 97 2.857 -2.425 5.947 1.00 2.15 H new ATOM 0 HG12 ILE A 97 3.442 -3.658 3.907 1.00 72.44 H new ATOM 0 HG13 ILE A 97 2.341 -2.345 3.541 1.00 72.44 H new ATOM 0 HG21 ILE A 97 2.368 -0.250 4.895 1.00 72.34 H new ATOM 0 HG22 ILE A 97 3.490 -0.086 6.266 1.00 72.34 H new ATOM 0 HG23 ILE A 97 4.106 -0.007 4.599 1.00 72.34 H new ATOM 0 HD11 ILE A 97 4.110 -2.500 1.854 1.00 13.13 H new ATOM 0 HD12 ILE A 97 4.230 -0.963 2.743 1.00 13.13 H new ATOM 0 HD13 ILE A 97 5.349 -2.296 3.115 1.00 13.13 H new ATOM 1593 N THR A 98 4.654 -1.999 8.149 1.00 75.22 N ATOM 1594 CA THR A 98 4.892 -1.422 9.479 1.00 62.34 C ATOM 1595 C THR A 98 5.106 -2.528 10.519 1.00 71.11 C ATOM 1596 O THR A 98 4.310 -3.467 10.610 1.00 23.44 O ATOM 1597 CB THR A 98 3.708 -0.533 9.948 1.00 3.45 C ATOM 1598 OG1 THR A 98 2.519 -1.324 10.098 1.00 14.12 O ATOM 1599 CG2 THR A 98 3.434 0.601 8.964 1.00 51.24 C ATOM 0 H THR A 98 3.948 -2.735 8.136 1.00 75.22 H new ATOM 0 HA THR A 98 5.786 -0.805 9.393 1.00 62.34 H new ATOM 0 HB THR A 98 3.988 -0.100 10.908 1.00 3.45 H new ATOM 0 HG1 THR A 98 1.745 -0.815 9.779 1.00 14.12 H new ATOM 0 HG21 THR A 98 2.599 1.202 9.325 1.00 51.24 H new ATOM 0 HG22 THR A 98 4.321 1.228 8.875 1.00 51.24 H new ATOM 0 HG23 THR A 98 3.186 0.184 7.988 1.00 51.24 H new ATOM 1607 N LYS A 99 6.179 -2.423 11.303 1.00 21.33 N ATOM 1608 CA LYS A 99 6.461 -3.397 12.366 1.00 44.20 C ATOM 1609 C LYS A 99 5.354 -3.398 13.429 1.00 53.53 C ATOM 1610 O LYS A 99 5.033 -4.439 14.008 1.00 61.12 O ATOM 1611 CB LYS A 99 7.819 -3.101 13.021 1.00 24.44 C ATOM 1612 CG LYS A 99 9.016 -3.402 12.120 1.00 13.11 C ATOM 1613 CD LYS A 99 9.132 -4.895 11.823 1.00 60.10 C ATOM 1614 CE LYS A 99 10.276 -5.203 10.862 1.00 53.03 C ATOM 1615 NZ LYS A 99 11.585 -4.740 11.384 1.00 71.44 N ATOM 0 H LYS A 99 6.868 -1.675 11.225 1.00 21.33 H new ATOM 0 HA LYS A 99 6.495 -4.386 11.909 1.00 44.20 H new ATOM 0 HB2 LYS A 99 7.850 -2.051 13.313 1.00 24.44 H new ATOM 0 HB3 LYS A 99 7.907 -3.688 13.935 1.00 24.44 H new ATOM 0 HG2 LYS A 99 8.916 -2.851 11.185 1.00 13.11 H new ATOM 0 HG3 LYS A 99 9.931 -3.053 12.600 1.00 13.11 H new ATOM 0 HD2 LYS A 99 9.286 -5.438 12.755 1.00 60.10 H new ATOM 0 HD3 LYS A 99 8.195 -5.253 11.397 1.00 60.10 H new ATOM 0 HE2 LYS A 99 10.318 -6.277 10.682 1.00 53.03 H new ATOM 0 HE3 LYS A 99 10.080 -4.726 9.902 1.00 53.03 H new ATOM 0 HZ1 LYS A 99 12.348 -5.102 10.777 1.00 71.44 H new ATOM 0 HZ2 LYS A 99 11.609 -3.700 11.388 1.00 71.44 H new ATOM 0 HZ3 LYS A 99 11.717 -5.093 12.353 1.00 71.44 H new ATOM 1629 N LYS A 100 4.763 -2.228 13.666 1.00 12.45 N ATOM 1630 CA LYS A 100 3.688 -2.077 14.651 1.00 73.21 C ATOM 1631 C LYS A 100 2.438 -2.904 14.284 1.00 42.31 C ATOM 1632 O LYS A 100 1.647 -3.268 15.159 1.00 61.32 O ATOM 1633 CB LYS A 100 3.325 -0.589 14.797 1.00 41.51 C ATOM 1634 CG LYS A 100 2.828 0.058 13.504 1.00 34.40 C ATOM 1635 CD LYS A 100 2.729 1.580 13.621 1.00 44.41 C ATOM 1636 CE LYS A 100 1.743 2.020 14.699 1.00 1.24 C ATOM 1637 NZ LYS A 100 0.354 1.579 14.403 1.00 64.52 N ATOM 0 H LYS A 100 5.012 -1.363 13.186 1.00 12.45 H new ATOM 0 HA LYS A 100 4.053 -2.461 15.604 1.00 73.21 H new ATOM 0 HB2 LYS A 100 2.555 -0.486 15.562 1.00 41.51 H new ATOM 0 HB3 LYS A 100 4.201 -0.045 15.151 1.00 41.51 H new ATOM 0 HG2 LYS A 100 3.504 -0.199 12.688 1.00 34.40 H new ATOM 0 HG3 LYS A 100 1.850 -0.350 13.248 1.00 34.40 H new ATOM 0 HD2 LYS A 100 3.714 1.989 13.846 1.00 44.41 H new ATOM 0 HD3 LYS A 100 2.423 1.996 12.661 1.00 44.41 H new ATOM 0 HE2 LYS A 100 2.054 1.614 15.661 1.00 1.24 H new ATOM 0 HE3 LYS A 100 1.766 3.106 14.789 1.00 1.24 H new ATOM 0 HZ1 LYS A 100 -0.301 2.012 15.085 1.00 64.52 H new ATOM 0 HZ2 LYS A 100 0.094 1.873 13.440 1.00 64.52 H new ATOM 0 HZ3 LYS A 100 0.296 0.543 14.477 1.00 64.52 H new ATOM 1651 N SER A 101 2.263 -3.206 12.993 1.00 14.12 N ATOM 1652 CA SER A 101 1.109 -4.001 12.531 1.00 12.44 C ATOM 1653 C SER A 101 1.530 -5.400 12.053 1.00 54.12 C ATOM 1654 O SER A 101 0.734 -6.338 12.093 1.00 24.43 O ATOM 1655 CB SER A 101 0.365 -3.280 11.395 1.00 72.10 C ATOM 1656 OG SER A 101 -0.789 -4.004 10.985 1.00 62.45 O ATOM 0 H SER A 101 2.899 -2.916 12.250 1.00 14.12 H new ATOM 0 HA SER A 101 0.444 -4.114 13.387 1.00 12.44 H new ATOM 0 HB2 SER A 101 0.072 -2.284 11.726 1.00 72.10 H new ATOM 0 HB3 SER A 101 1.035 -3.150 10.545 1.00 72.10 H new ATOM 0 HG SER A 101 -1.240 -3.519 10.263 1.00 62.45 H new ATOM 1662 N GLY A 102 2.770 -5.531 11.588 1.00 3.32 N ATOM 1663 CA GLY A 102 3.284 -6.824 11.133 1.00 22.14 C ATOM 1664 C GLY A 102 2.589 -7.365 9.880 1.00 55.52 C ATOM 1665 O GLY A 102 2.324 -8.563 9.781 1.00 14.03 O ATOM 0 H GLY A 102 3.436 -4.762 11.516 1.00 3.32 H new ATOM 0 HA2 GLY A 102 4.351 -6.729 10.932 1.00 22.14 H new ATOM 0 HA3 GLY A 102 3.175 -7.550 11.938 1.00 22.14 H new ATOM 1669 N VAL A 103 2.295 -6.486 8.920 1.00 34.45 N ATOM 1670 CA VAL A 103 1.619 -6.897 7.677 1.00 24.45 C ATOM 1671 C VAL A 103 2.576 -6.892 6.467 1.00 44.42 C ATOM 1672 O VAL A 103 3.179 -5.867 6.145 1.00 13.25 O ATOM 1673 CB VAL A 103 0.408 -5.982 7.367 1.00 64.02 C ATOM 1674 CG1 VAL A 103 -0.280 -6.409 6.071 1.00 21.03 C ATOM 1675 CG2 VAL A 103 -0.585 -5.981 8.532 1.00 22.11 C ATOM 0 H VAL A 103 2.511 -5.490 8.974 1.00 34.45 H new ATOM 0 HA VAL A 103 1.271 -7.917 7.842 1.00 24.45 H new ATOM 0 HB VAL A 103 0.779 -4.966 7.235 1.00 64.02 H new ATOM 0 HG11 VAL A 103 -1.127 -5.752 5.875 1.00 21.03 H new ATOM 0 HG12 VAL A 103 0.428 -6.345 5.245 1.00 21.03 H new ATOM 0 HG13 VAL A 103 -0.633 -7.436 6.167 1.00 21.03 H new ATOM 0 HG21 VAL A 103 -1.427 -5.332 8.292 1.00 22.11 H new ATOM 0 HG22 VAL A 103 -0.946 -6.995 8.703 1.00 22.11 H new ATOM 0 HG23 VAL A 103 -0.090 -5.615 9.432 1.00 22.11 H new ATOM 1685 N VAL A 104 2.697 -8.045 5.806 1.00 13.34 N ATOM 1686 CA VAL A 104 3.520 -8.185 4.590 1.00 62.03 C ATOM 1687 C VAL A 104 2.659 -8.053 3.317 1.00 35.22 C ATOM 1688 O VAL A 104 1.451 -8.290 3.346 1.00 72.33 O ATOM 1689 CB VAL A 104 4.249 -9.558 4.572 1.00 41.04 C ATOM 1690 CG1 VAL A 104 5.092 -9.728 3.307 1.00 63.12 C ATOM 1691 CG2 VAL A 104 5.115 -9.725 5.818 1.00 42.14 C ATOM 0 H VAL A 104 2.232 -8.907 6.092 1.00 13.34 H new ATOM 0 HA VAL A 104 4.258 -7.383 4.604 1.00 62.03 H new ATOM 0 HB VAL A 104 3.486 -10.336 4.571 1.00 41.04 H new ATOM 0 HG11 VAL A 104 5.587 -10.699 3.328 1.00 63.12 H new ATOM 0 HG12 VAL A 104 4.448 -9.668 2.430 1.00 63.12 H new ATOM 0 HG13 VAL A 104 5.842 -8.939 3.261 1.00 63.12 H new ATOM 0 HG21 VAL A 104 5.616 -10.692 5.786 1.00 42.14 H new ATOM 0 HG22 VAL A 104 5.861 -8.931 5.852 1.00 42.14 H new ATOM 0 HG23 VAL A 104 4.487 -9.671 6.707 1.00 42.14 H new ATOM 1701 N LEU A 105 3.288 -7.663 2.202 1.00 64.42 N ATOM 1702 CA LEU A 105 2.587 -7.542 0.914 1.00 5.23 C ATOM 1703 C LEU A 105 2.639 -8.855 0.111 1.00 1.30 C ATOM 1704 O LEU A 105 3.712 -9.312 -0.280 1.00 23.32 O ATOM 1705 CB LEU A 105 3.201 -6.411 0.077 1.00 14.01 C ATOM 1706 CG LEU A 105 3.157 -5.011 0.707 1.00 65.04 C ATOM 1707 CD1 LEU A 105 3.734 -3.977 -0.256 1.00 51.31 C ATOM 1708 CD2 LEU A 105 1.731 -4.644 1.117 1.00 51.01 C ATOM 0 H LEU A 105 4.279 -7.426 2.163 1.00 64.42 H new ATOM 0 HA LEU A 105 1.544 -7.315 1.133 1.00 5.23 H new ATOM 0 HB2 LEU A 105 4.241 -6.662 -0.131 1.00 14.01 H new ATOM 0 HB3 LEU A 105 2.684 -6.373 -0.882 1.00 14.01 H new ATOM 0 HG LEU A 105 3.770 -5.018 1.608 1.00 65.04 H new ATOM 0 HD11 LEU A 105 3.696 -2.990 0.205 1.00 51.31 H new ATOM 0 HD12 LEU A 105 4.769 -4.231 -0.485 1.00 51.31 H new ATOM 0 HD13 LEU A 105 3.150 -3.971 -1.176 1.00 51.31 H new ATOM 0 HD21 LEU A 105 1.725 -3.648 1.561 1.00 51.01 H new ATOM 0 HD22 LEU A 105 1.086 -4.654 0.238 1.00 51.01 H new ATOM 0 HD23 LEU A 105 1.364 -5.368 1.845 1.00 51.01 H new ATOM 1720 N LEU A 106 1.473 -9.457 -0.125 1.00 41.50 N ATOM 1721 CA LEU A 106 1.365 -10.671 -0.949 1.00 72.23 C ATOM 1722 C LEU A 106 0.086 -10.647 -1.803 1.00 32.34 C ATOM 1723 O LEU A 106 -0.875 -9.971 -1.460 1.00 45.53 O ATOM 1724 CB LEU A 106 1.417 -11.947 -0.077 1.00 64.45 C ATOM 1725 CG LEU A 106 0.388 -12.046 1.066 1.00 0.12 C ATOM 1726 CD1 LEU A 106 0.306 -13.477 1.594 1.00 30.23 C ATOM 1727 CD2 LEU A 106 0.739 -11.088 2.205 1.00 74.11 C ATOM 0 H LEU A 106 0.582 -9.124 0.244 1.00 41.50 H new ATOM 0 HA LEU A 106 2.222 -10.689 -1.622 1.00 72.23 H new ATOM 0 HB2 LEU A 106 1.285 -12.810 -0.729 1.00 64.45 H new ATOM 0 HB3 LEU A 106 2.415 -12.023 0.356 1.00 64.45 H new ATOM 0 HG LEU A 106 -0.585 -11.762 0.664 1.00 0.12 H new ATOM 0 HD11 LEU A 106 -0.426 -13.526 2.400 1.00 30.23 H new ATOM 0 HD12 LEU A 106 0.003 -14.145 0.788 1.00 30.23 H new ATOM 0 HD13 LEU A 106 1.282 -13.782 1.971 1.00 30.23 H new ATOM 0 HD21 LEU A 106 -0.003 -11.178 2.998 1.00 74.11 H new ATOM 0 HD22 LEU A 106 1.724 -11.337 2.600 1.00 74.11 H new ATOM 0 HD23 LEU A 106 0.747 -10.064 1.830 1.00 74.11 H new ATOM 1739 N ASN A 107 0.100 -11.389 -2.918 1.00 31.42 N ATOM 1740 CA ASN A 107 -1.042 -11.476 -3.861 1.00 74.50 C ATOM 1741 C ASN A 107 -1.771 -10.129 -4.095 1.00 44.24 C ATOM 1742 O ASN A 107 -2.842 -9.879 -3.539 1.00 21.14 O ATOM 1743 CB ASN A 107 -2.038 -12.576 -3.438 1.00 43.51 C ATOM 1744 CG ASN A 107 -2.482 -12.487 -1.987 1.00 53.12 C ATOM 1745 OD1 ASN A 107 -1.900 -13.115 -1.109 1.00 24.05 O ATOM 1746 ND2 ASN A 107 -3.515 -11.719 -1.719 1.00 64.44 N ATOM 0 H ASN A 107 0.903 -11.951 -3.200 1.00 31.42 H new ATOM 0 HA ASN A 107 -0.604 -11.748 -4.821 1.00 74.50 H new ATOM 0 HB2 ASN A 107 -2.917 -12.521 -4.080 1.00 43.51 H new ATOM 0 HB3 ASN A 107 -1.580 -13.550 -3.607 1.00 43.51 H new ATOM 0 HD21 ASN A 107 -3.852 -11.634 -0.760 1.00 64.44 H new ATOM 0 HD22 ASN A 107 -3.979 -11.208 -2.470 1.00 64.44 H new ATOM 1753 N PRO A 108 -1.209 -9.253 -4.953 1.00 13.12 N ATOM 1754 CA PRO A 108 -1.811 -7.943 -5.262 1.00 64.30 C ATOM 1755 C PRO A 108 -3.066 -8.047 -6.151 1.00 1.12 C ATOM 1756 O PRO A 108 -3.247 -9.023 -6.882 1.00 11.12 O ATOM 1757 CB PRO A 108 -0.687 -7.189 -6.008 1.00 23.21 C ATOM 1758 CG PRO A 108 0.533 -8.052 -5.902 1.00 54.02 C ATOM 1759 CD PRO A 108 0.043 -9.458 -5.688 1.00 42.34 C ATOM 0 HA PRO A 108 -2.154 -7.444 -4.356 1.00 64.30 H new ATOM 0 HB2 PRO A 108 -0.956 -7.021 -7.051 1.00 23.21 H new ATOM 0 HB3 PRO A 108 -0.512 -6.210 -5.562 1.00 23.21 H new ATOM 0 HG2 PRO A 108 1.136 -7.985 -6.808 1.00 54.02 H new ATOM 0 HG3 PRO A 108 1.165 -7.731 -5.074 1.00 54.02 H new ATOM 0 HD2 PRO A 108 -0.122 -9.978 -6.632 1.00 42.34 H new ATOM 0 HD3 PRO A 108 0.756 -10.053 -5.117 1.00 42.34 H new ATOM 1767 N ILE A 109 -3.926 -7.027 -6.084 1.00 33.41 N ATOM 1768 CA ILE A 109 -5.124 -6.960 -6.933 1.00 33.24 C ATOM 1769 C ILE A 109 -4.811 -6.252 -8.269 1.00 63.04 C ATOM 1770 O ILE A 109 -4.484 -5.062 -8.286 1.00 72.12 O ATOM 1771 CB ILE A 109 -6.283 -6.222 -6.209 1.00 10.41 C ATOM 1772 CG1 ILE A 109 -6.584 -6.898 -4.856 1.00 34.52 C ATOM 1773 CG2 ILE A 109 -7.536 -6.182 -7.086 1.00 63.33 C ATOM 1774 CD1 ILE A 109 -7.008 -8.352 -4.967 1.00 73.11 C ATOM 0 H ILE A 109 -3.817 -6.235 -5.451 1.00 33.41 H new ATOM 0 HA ILE A 109 -5.437 -7.984 -7.139 1.00 33.24 H new ATOM 0 HB ILE A 109 -5.973 -5.194 -6.021 1.00 10.41 H new ATOM 0 HG12 ILE A 109 -5.696 -6.837 -4.227 1.00 34.52 H new ATOM 0 HG13 ILE A 109 -7.372 -6.339 -4.351 1.00 34.52 H new ATOM 0 HG21 ILE A 109 -8.334 -5.660 -6.557 1.00 63.33 H new ATOM 0 HG22 ILE A 109 -7.313 -5.658 -8.015 1.00 63.33 H new ATOM 0 HG23 ILE A 109 -7.855 -7.200 -7.311 1.00 63.33 H new ATOM 0 HD11 ILE A 109 -7.200 -8.752 -3.971 1.00 73.11 H new ATOM 0 HD12 ILE A 109 -7.915 -8.422 -5.568 1.00 73.11 H new ATOM 0 HD13 ILE A 109 -6.213 -8.928 -5.442 1.00 73.11 H new ATOM 1786 N PRO A 110 -4.913 -6.978 -9.406 1.00 65.42 N ATOM 1787 CA PRO A 110 -4.478 -6.474 -10.725 1.00 13.24 C ATOM 1788 C PRO A 110 -5.427 -5.443 -11.370 1.00 44.13 C ATOM 1789 O PRO A 110 -6.573 -5.269 -10.942 1.00 30.11 O ATOM 1790 CB PRO A 110 -4.423 -7.752 -11.570 1.00 72.15 C ATOM 1791 CG PRO A 110 -5.477 -8.625 -10.983 1.00 42.24 C ATOM 1792 CD PRO A 110 -5.458 -8.350 -9.498 1.00 72.32 C ATOM 0 HA PRO A 110 -3.538 -5.929 -10.643 1.00 13.24 H new ATOM 0 HB2 PRO A 110 -4.620 -7.543 -12.622 1.00 72.15 H new ATOM 0 HB3 PRO A 110 -3.441 -8.222 -11.517 1.00 72.15 H new ATOM 0 HG2 PRO A 110 -6.454 -8.400 -11.410 1.00 42.24 H new ATOM 0 HG3 PRO A 110 -5.274 -9.676 -11.189 1.00 42.24 H new ATOM 0 HD2 PRO A 110 -6.456 -8.415 -9.065 1.00 72.32 H new ATOM 0 HD3 PRO A 110 -4.833 -9.067 -8.965 1.00 72.32 H new ATOM 1800 N LYS A 111 -4.917 -4.755 -12.400 1.00 32.11 N ATOM 1801 CA LYS A 111 -5.705 -3.804 -13.205 1.00 50.24 C ATOM 1802 C LYS A 111 -4.860 -3.265 -14.369 1.00 13.01 C ATOM 1803 O LYS A 111 -3.630 -3.286 -14.311 1.00 61.42 O ATOM 1804 CB LYS A 111 -6.219 -2.630 -12.334 1.00 32.23 C ATOM 1805 CG LYS A 111 -5.148 -1.605 -11.916 1.00 70.24 C ATOM 1806 CD LYS A 111 -4.971 -0.485 -12.953 1.00 60.15 C ATOM 1807 CE LYS A 111 -3.790 0.420 -12.625 1.00 33.32 C ATOM 1808 NZ LYS A 111 -3.628 1.509 -13.625 1.00 73.45 N ATOM 0 H LYS A 111 -3.946 -4.840 -12.701 1.00 32.11 H new ATOM 0 HA LYS A 111 -6.568 -4.335 -13.607 1.00 50.24 H new ATOM 0 HB2 LYS A 111 -7.004 -2.108 -12.882 1.00 32.23 H new ATOM 0 HB3 LYS A 111 -6.677 -3.040 -11.434 1.00 32.23 H new ATOM 0 HG2 LYS A 111 -5.423 -1.167 -10.956 1.00 70.24 H new ATOM 0 HG3 LYS A 111 -4.196 -2.117 -11.772 1.00 70.24 H new ATOM 0 HD2 LYS A 111 -4.827 -0.925 -13.940 1.00 60.15 H new ATOM 0 HD3 LYS A 111 -5.882 0.112 -13.000 1.00 60.15 H new ATOM 0 HE2 LYS A 111 -3.930 0.855 -11.635 1.00 33.32 H new ATOM 0 HE3 LYS A 111 -2.877 -0.175 -12.586 1.00 33.32 H new ATOM 0 HZ1 LYS A 111 -2.694 1.952 -13.508 1.00 73.45 H new ATOM 0 HZ2 LYS A 111 -3.706 1.114 -14.584 1.00 73.45 H new ATOM 0 HZ3 LYS A 111 -4.370 2.224 -13.483 1.00 73.45 H new ATOM 1822 N ASP A 112 -5.507 -2.770 -15.424 1.00 53.14 N ATOM 1823 CA ASP A 112 -4.773 -2.121 -16.518 1.00 45.14 C ATOM 1824 C ASP A 112 -5.477 -0.862 -17.039 1.00 41.45 C ATOM 1825 O ASP A 112 -5.007 0.256 -16.832 1.00 73.20 O ATOM 1826 CB ASP A 112 -4.468 -3.125 -17.645 1.00 51.41 C ATOM 1827 CG ASP A 112 -5.704 -3.799 -18.205 1.00 12.24 C ATOM 1828 OD1 ASP A 112 -6.148 -4.813 -17.636 1.00 43.21 O ATOM 1829 OD2 ASP A 112 -6.243 -3.308 -19.217 1.00 14.51 O ATOM 0 H ASP A 112 -6.519 -2.803 -15.547 1.00 53.14 H new ATOM 0 HA ASP A 112 -3.822 -1.780 -16.110 1.00 45.14 H new ATOM 0 HB2 ASP A 112 -3.949 -2.607 -18.452 1.00 51.41 H new ATOM 0 HB3 ASP A 112 -3.788 -3.888 -17.267 1.00 51.41 H new ATOM 1834 N LYS A 113 -6.593 -1.045 -17.718 1.00 64.23 N ATOM 1835 CA LYS A 113 -7.345 0.076 -18.310 1.00 2.25 C ATOM 1836 C LYS A 113 -8.867 -0.061 -18.127 1.00 62.00 C ATOM 1837 O LYS A 113 -9.635 0.730 -18.678 1.00 73.42 O ATOM 1838 CB LYS A 113 -7.004 0.197 -19.807 1.00 3.23 C ATOM 1839 CG LYS A 113 -5.548 0.572 -20.076 1.00 10.32 C ATOM 1840 CD LYS A 113 -5.222 1.965 -19.542 1.00 64.45 C ATOM 1841 CE LYS A 113 -3.727 2.264 -19.590 1.00 21.22 C ATOM 1842 NZ LYS A 113 -2.950 1.349 -18.709 1.00 74.44 N ATOM 0 H LYS A 113 -7.012 -1.961 -17.881 1.00 64.23 H new ATOM 0 HA LYS A 113 -7.043 0.980 -17.781 1.00 2.25 H new ATOM 0 HB2 LYS A 113 -7.223 -0.751 -20.298 1.00 3.23 H new ATOM 0 HB3 LYS A 113 -7.653 0.947 -20.259 1.00 3.23 H new ATOM 0 HG2 LYS A 113 -4.890 -0.161 -19.609 1.00 10.32 H new ATOM 0 HG3 LYS A 113 -5.354 0.537 -21.148 1.00 10.32 H new ATOM 0 HD2 LYS A 113 -5.759 2.712 -20.127 1.00 64.45 H new ATOM 0 HD3 LYS A 113 -5.575 2.050 -18.514 1.00 64.45 H new ATOM 0 HE2 LYS A 113 -3.371 2.170 -20.616 1.00 21.22 H new ATOM 0 HE3 LYS A 113 -3.553 3.296 -19.285 1.00 21.22 H new ATOM 0 HZ1 LYS A 113 -2.138 1.860 -18.308 1.00 74.44 H new ATOM 0 HZ2 LYS A 113 -3.560 1.008 -17.938 1.00 74.44 H new ATOM 0 HZ3 LYS A 113 -2.609 0.539 -19.265 1.00 74.44 H new ATOM 1856 N LYS A 114 -9.309 -1.049 -17.350 1.00 42.41 N ATOM 1857 CA LYS A 114 -10.746 -1.236 -17.097 1.00 13.32 C ATOM 1858 C LYS A 114 -11.164 -0.664 -15.735 1.00 42.30 C ATOM 1859 O LYS A 114 -10.755 -1.162 -14.684 1.00 25.45 O ATOM 1860 CB LYS A 114 -11.151 -2.719 -17.161 1.00 52.24 C ATOM 1861 CG LYS A 114 -10.945 -3.383 -18.521 1.00 43.22 C ATOM 1862 CD LYS A 114 -9.506 -3.842 -18.725 1.00 11.33 C ATOM 1863 CE LYS A 114 -9.323 -4.535 -20.067 1.00 44.43 C ATOM 1864 NZ LYS A 114 -7.991 -5.185 -20.177 1.00 30.11 N ATOM 0 H LYS A 114 -8.704 -1.728 -16.887 1.00 42.41 H new ATOM 0 HA LYS A 114 -11.264 -0.692 -17.887 1.00 13.32 H new ATOM 0 HB2 LYS A 114 -10.579 -3.269 -16.414 1.00 52.24 H new ATOM 0 HB3 LYS A 114 -12.202 -2.806 -16.886 1.00 52.24 H new ATOM 0 HG2 LYS A 114 -11.614 -4.239 -18.611 1.00 43.22 H new ATOM 0 HG3 LYS A 114 -11.217 -2.682 -19.311 1.00 43.22 H new ATOM 0 HD2 LYS A 114 -8.838 -2.983 -18.665 1.00 11.33 H new ATOM 0 HD3 LYS A 114 -9.224 -4.523 -17.922 1.00 11.33 H new ATOM 0 HE2 LYS A 114 -10.104 -5.283 -20.199 1.00 44.43 H new ATOM 0 HE3 LYS A 114 -9.440 -3.808 -20.870 1.00 44.43 H new ATOM 0 HZ1 LYS A 114 -7.899 -5.631 -21.112 1.00 30.11 H new ATOM 0 HZ2 LYS A 114 -7.245 -4.470 -20.060 1.00 30.11 H new ATOM 0 HZ3 LYS A 114 -7.896 -5.909 -19.437 1.00 30.11 H new ATOM 1878 N TRP A 115 -11.975 0.388 -15.759 1.00 13.04 N ATOM 1879 CA TRP A 115 -12.599 0.909 -14.543 1.00 32.33 C ATOM 1880 C TRP A 115 -13.929 0.183 -14.282 1.00 24.34 C ATOM 1881 O TRP A 115 -15.009 0.699 -14.578 1.00 15.22 O ATOM 1882 CB TRP A 115 -12.818 2.427 -14.647 1.00 63.13 C ATOM 1883 CG TRP A 115 -11.539 3.214 -14.708 1.00 62.51 C ATOM 1884 CD1 TRP A 115 -10.915 3.695 -15.826 1.00 71.44 C ATOM 1885 CD2 TRP A 115 -10.724 3.602 -13.595 1.00 40.32 C ATOM 1886 NE1 TRP A 115 -9.767 4.366 -15.471 1.00 61.23 N ATOM 1887 CE2 TRP A 115 -9.629 4.319 -14.111 1.00 11.23 C ATOM 1888 CE3 TRP A 115 -10.817 3.416 -12.213 1.00 63.41 C ATOM 1889 CZ2 TRP A 115 -8.632 4.847 -13.292 1.00 40.11 C ATOM 1890 CZ3 TRP A 115 -9.828 3.941 -11.403 1.00 3.34 C ATOM 1891 CH2 TRP A 115 -8.749 4.648 -11.943 1.00 4.13 C ATOM 0 H TRP A 115 -12.217 0.899 -16.608 1.00 13.04 H new ATOM 0 HA TRP A 115 -11.930 0.726 -13.703 1.00 32.33 H new ATOM 0 HB2 TRP A 115 -13.410 2.641 -15.537 1.00 63.13 H new ATOM 0 HB3 TRP A 115 -13.401 2.762 -13.789 1.00 63.13 H new ATOM 0 HD1 TRP A 115 -11.271 3.567 -16.838 1.00 71.44 H new ATOM 0 HE1 TRP A 115 -9.124 4.824 -16.117 1.00 61.23 H new ATOM 0 HE3 TRP A 115 -11.646 2.872 -11.786 1.00 63.41 H new ATOM 0 HZ2 TRP A 115 -7.798 5.393 -13.707 1.00 40.11 H new ATOM 0 HZ3 TRP A 115 -9.890 3.803 -10.334 1.00 3.34 H new ATOM 0 HH2 TRP A 115 -7.993 5.045 -11.282 1.00 4.13 H new ATOM 1902 N ILE A 116 -13.828 -1.046 -13.771 1.00 64.33 N ATOM 1903 CA ILE A 116 -15.006 -1.894 -13.516 1.00 21.24 C ATOM 1904 C ILE A 116 -15.372 -1.961 -12.014 1.00 4.55 C ATOM 1905 O ILE A 116 -14.877 -2.856 -11.293 1.00 37.46 O ATOM 1906 CB ILE A 116 -14.820 -3.334 -14.107 1.00 31.53 C ATOM 1907 CG1 ILE A 116 -13.326 -3.712 -14.259 1.00 54.03 C ATOM 1908 CG2 ILE A 116 -15.534 -3.453 -15.455 1.00 24.32 C ATOM 1909 CD1 ILE A 116 -12.564 -3.865 -12.956 1.00 52.44 C ATOM 1910 OXT ILE A 116 -16.160 -1.102 -11.558 1.00 37.46 O ATOM 0 H ILE A 116 -12.940 -1.482 -13.523 1.00 64.33 H new ATOM 0 HA ILE A 116 -15.841 -1.420 -14.032 1.00 21.24 H new ATOM 0 HB ILE A 116 -15.265 -4.034 -13.400 1.00 31.53 H new ATOM 0 HG12 ILE A 116 -13.259 -4.648 -14.813 1.00 54.03 H new ATOM 0 HG13 ILE A 116 -12.834 -2.949 -14.862 1.00 54.03 H new ATOM 0 HG21 ILE A 116 -15.396 -4.458 -15.853 1.00 24.32 H new ATOM 0 HG22 ILE A 116 -16.598 -3.259 -15.321 1.00 24.32 H new ATOM 0 HG23 ILE A 116 -15.117 -2.727 -16.153 1.00 24.32 H new ATOM 0 HD11 ILE A 116 -11.528 -4.130 -13.169 1.00 52.44 H new ATOM 0 HD12 ILE A 116 -12.592 -2.925 -12.406 1.00 52.44 H new ATOM 0 HD13 ILE A 116 -13.023 -4.650 -12.356 1.00 52.44 H new TER 1922 ILE A 116