USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot -42:sc= 1.46 USER MOD Set 1.2: A 43 SER OG : rot 89:sc= 0.271 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.00635 (180deg=-0.00129) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.11 F(o=-0.94,f=-0.11) USER MOD Single : A 4 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.38) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.407 K(o=0.41,f=-1.9) USER MOD Single : A 11 MET CE :methyl 137:sc= -0.118 (180deg=-0.63) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00647) USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.13 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -114:sc= 0.759 (180deg=-2.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -1.03 (180deg=-1.37) USER MOD Single : A 38 THR OG1 : rot -138:sc= -0.478 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc=-0.00375 (180deg=-0.0767) USER MOD Single : A 49 TYR OH : rot 93:sc= 0.33 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -0.0106 (180deg=-0.0771) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= -0.0618 (180deg=-0.0745) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.0198 (180deg=-0.192) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 61 TYR OH : rot 63:sc= 0.153 USER MOD Single : A 63 SER OG : rot 66:sc= 0.299 USER MOD Single : A 66 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.11) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 121:sc= 0.335 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 78 LYS NZ :NH3+ -129:sc= -0.141 (180deg=-0.354) USER MOD Single : A 79 ASN : amide:sc= 0.305 K(o=0.31,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= 1.26 (180deg=-0.485) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -170:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= 0.0298 (180deg=-0.402) USER MOD Single : A 91 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.8) USER MOD Single : A 92 SER OG : rot -173:sc= 0.03 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.208 K(o=-0.21,f=-3.7!) USER MOD Single : A 99 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.4) USER MOD Single : A 102 SER OG : rot -155:sc= 0.702 USER MOD Single : A 104 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= -0.58 (180deg=-0.958) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.309 -20.148 -11.170 1.00 2.50 N ATOM 2 CA MET A 1 22.273 -20.015 -10.108 1.00 53.43 C ATOM 3 C MET A 1 21.889 -21.387 -9.516 1.00 53.50 C ATOM 4 O MET A 1 21.850 -22.397 -10.232 1.00 35.43 O ATOM 5 CB MET A 1 21.013 -19.292 -10.657 1.00 3.21 C ATOM 6 CG MET A 1 21.245 -17.824 -11.024 1.00 25.01 C ATOM 7 SD MET A 1 21.835 -16.870 -9.608 1.00 65.10 S ATOM 8 CE MET A 1 21.957 -15.224 -10.302 1.00 24.21 C ATOM 0 H1 MET A 1 24.196 -19.713 -10.846 1.00 2.50 H new ATOM 0 H2 MET A 1 23.471 -21.155 -11.372 1.00 2.50 H new ATOM 0 H3 MET A 1 22.984 -19.669 -12.034 1.00 2.50 H new ATOM 0 HA MET A 1 22.701 -19.413 -9.307 1.00 53.43 H new ATOM 0 HB2 MET A 1 20.657 -19.824 -11.539 1.00 3.21 H new ATOM 0 HB3 MET A 1 20.221 -19.348 -9.910 1.00 3.21 H new ATOM 0 HG2 MET A 1 21.972 -17.761 -11.834 1.00 25.01 H new ATOM 0 HG3 MET A 1 20.316 -17.390 -11.395 1.00 25.01 H new ATOM 0 HE1 MET A 1 22.310 -14.532 -9.537 1.00 24.21 H new ATOM 0 HE2 MET A 1 22.659 -15.232 -11.136 1.00 24.21 H new ATOM 0 HE3 MET A 1 20.977 -14.905 -10.656 1.00 24.21 H new ATOM 20 N GLY A 2 21.618 -21.403 -8.195 1.00 75.31 N ATOM 21 CA GLY A 2 21.221 -22.624 -7.482 1.00 4.55 C ATOM 22 C GLY A 2 20.457 -22.360 -6.184 1.00 44.13 C ATOM 23 O GLY A 2 20.298 -23.271 -5.364 1.00 13.01 O ATOM 0 H GLY A 2 21.669 -20.575 -7.601 1.00 75.31 H new ATOM 0 HA2 GLY A 2 20.601 -23.233 -8.140 1.00 4.55 H new ATOM 0 HA3 GLY A 2 22.113 -23.208 -7.255 1.00 4.55 H new ATOM 27 N HIS A 3 19.973 -21.114 -5.993 1.00 54.13 N ATOM 28 CA HIS A 3 19.167 -20.739 -4.812 1.00 10.25 C ATOM 29 C HIS A 3 17.723 -21.291 -4.943 1.00 54.41 C ATOM 30 O HIS A 3 16.887 -20.738 -5.664 1.00 41.53 O ATOM 31 CB HIS A 3 19.204 -19.194 -4.566 1.00 53.32 C ATOM 32 CG HIS A 3 18.838 -18.318 -5.752 1.00 61.24 C ATOM 33 ND1 HIS A 3 17.656 -17.770 -6.138 1.00 22.31 N flip ATOM 34 CD2 HIS A 3 19.770 -17.875 -6.678 1.00 33.34 C flip ATOM 35 CE1 HIS A 3 17.899 -17.034 -7.272 1.00 73.52 C flip ATOM 36 NE2 HIS A 3 19.174 -17.113 -7.574 1.00 21.30 N flip ATOM 0 H HIS A 3 20.128 -20.346 -6.647 1.00 54.13 H new ATOM 0 HA HIS A 3 19.608 -21.199 -3.928 1.00 10.25 H new ATOM 0 HB2 HIS A 3 18.525 -18.961 -3.746 1.00 53.32 H new ATOM 0 HB3 HIS A 3 20.207 -18.923 -4.236 1.00 53.32 H new ATOM 0 HD2 HIS A 3 20.823 -18.117 -6.667 1.00 33.34 H new ATOM 0 HE1 HIS A 3 17.158 -16.478 -7.827 1.00 73.52 H new ATOM 0 HE2 HIS A 3 19.627 -16.661 -8.368 1.00 21.30 H new ATOM 45 N HIS A 4 17.463 -22.425 -4.271 1.00 14.52 N ATOM 46 CA HIS A 4 16.143 -23.094 -4.286 1.00 51.52 C ATOM 47 C HIS A 4 15.605 -23.320 -2.852 1.00 12.04 C ATOM 48 O HIS A 4 14.812 -24.238 -2.621 1.00 11.15 O ATOM 49 CB HIS A 4 16.227 -24.426 -5.085 1.00 64.44 C ATOM 50 CG HIS A 4 17.283 -25.400 -4.612 1.00 33.44 C ATOM 51 ND1 HIS A 4 18.495 -25.552 -5.247 1.00 73.30 N ATOM 52 CD2 HIS A 4 17.288 -26.294 -3.591 1.00 31.42 C ATOM 53 CE1 HIS A 4 19.194 -26.490 -4.646 1.00 12.01 C ATOM 54 NE2 HIS A 4 18.489 -26.959 -3.639 1.00 44.14 N ATOM 0 H HIS A 4 18.159 -22.907 -3.701 1.00 14.52 H new ATOM 0 HA HIS A 4 15.431 -22.439 -4.789 1.00 51.52 H new ATOM 0 HB2 HIS A 4 15.256 -24.919 -5.040 1.00 64.44 H new ATOM 0 HB3 HIS A 4 16.417 -24.191 -6.132 1.00 64.44 H new ATOM 0 HD2 HIS A 4 16.496 -26.453 -2.875 1.00 31.42 H new ATOM 0 HE1 HIS A 4 20.182 -26.820 -4.931 1.00 12.01 H new ATOM 0 HE2 HIS A 4 18.786 -27.696 -2.999 1.00 44.14 H new ATOM 63 N HIS A 5 16.018 -22.456 -1.903 1.00 31.11 N ATOM 64 CA HIS A 5 15.527 -22.491 -0.504 1.00 75.05 C ATOM 65 C HIS A 5 13.998 -22.212 -0.451 1.00 21.21 C ATOM 66 O HIS A 5 13.560 -21.058 -0.499 1.00 74.10 O ATOM 67 CB HIS A 5 16.314 -21.471 0.363 1.00 14.43 C ATOM 68 CG HIS A 5 15.821 -21.342 1.788 1.00 23.12 C ATOM 69 ND1 HIS A 5 14.902 -20.389 2.166 1.00 23.21 N ATOM 70 CD2 HIS A 5 16.108 -22.046 2.913 1.00 23.34 C ATOM 71 CE1 HIS A 5 14.646 -20.503 3.449 1.00 14.11 C ATOM 72 NE2 HIS A 5 15.360 -21.499 3.930 1.00 61.50 N ATOM 0 H HIS A 5 16.698 -21.716 -2.080 1.00 31.11 H new ATOM 0 HA HIS A 5 15.696 -23.488 -0.097 1.00 75.05 H new ATOM 0 HB2 HIS A 5 17.364 -21.763 0.381 1.00 14.43 H new ATOM 0 HB3 HIS A 5 16.263 -20.493 -0.115 1.00 14.43 H new ATOM 0 HD2 HIS A 5 16.793 -22.877 2.994 1.00 23.34 H new ATOM 0 HE1 HIS A 5 13.965 -19.884 4.014 1.00 14.11 H new ATOM 0 HE2 HIS A 5 15.359 -21.814 4.900 1.00 61.50 H new ATOM 81 N HIS A 6 13.195 -23.294 -0.393 1.00 34.44 N ATOM 82 CA HIS A 6 11.713 -23.223 -0.403 1.00 64.12 C ATOM 83 C HIS A 6 11.101 -24.239 0.583 1.00 45.02 C ATOM 84 O HIS A 6 11.675 -25.296 0.848 1.00 11.52 O ATOM 85 CB HIS A 6 11.150 -23.510 -1.827 1.00 13.35 C ATOM 86 CG HIS A 6 11.609 -22.552 -2.893 1.00 60.24 C ATOM 87 ND1 HIS A 6 12.354 -22.939 -3.987 1.00 71.32 N ATOM 88 CD2 HIS A 6 11.410 -21.219 -3.037 1.00 23.02 C ATOM 89 CE1 HIS A 6 12.595 -21.895 -4.748 1.00 54.22 C ATOM 90 NE2 HIS A 6 12.034 -20.839 -4.198 1.00 44.22 N ATOM 0 H HIS A 6 13.554 -24.247 -0.338 1.00 34.44 H new ATOM 0 HA HIS A 6 11.440 -22.212 -0.099 1.00 64.12 H new ATOM 0 HB2 HIS A 6 11.437 -24.520 -2.119 1.00 13.35 H new ATOM 0 HB3 HIS A 6 10.061 -23.488 -1.783 1.00 13.35 H new ATOM 0 HD2 HIS A 6 10.863 -20.576 -2.364 1.00 23.02 H new ATOM 0 HE1 HIS A 6 13.158 -21.902 -5.669 1.00 54.22 H new ATOM 0 HE2 HIS A 6 12.059 -19.891 -4.574 1.00 44.22 H new ATOM 99 N HIS A 7 9.922 -23.891 1.115 1.00 21.53 N ATOM 100 CA HIS A 7 9.063 -24.800 1.905 1.00 2.40 C ATOM 101 C HIS A 7 7.604 -24.705 1.410 1.00 0.24 C ATOM 102 O HIS A 7 6.883 -25.714 1.384 1.00 1.04 O ATOM 103 CB HIS A 7 9.158 -24.482 3.424 1.00 3.53 C ATOM 104 CG HIS A 7 10.427 -24.985 4.068 1.00 14.21 C ATOM 105 ND1 HIS A 7 10.576 -26.287 4.495 1.00 33.44 N ATOM 106 CD2 HIS A 7 11.613 -24.375 4.329 1.00 42.11 C ATOM 107 CE1 HIS A 7 11.783 -26.459 4.983 1.00 60.45 C ATOM 108 NE2 HIS A 7 12.435 -25.318 4.897 1.00 62.24 N ATOM 0 H HIS A 7 9.527 -22.957 1.010 1.00 21.53 H new ATOM 0 HA HIS A 7 9.415 -25.822 1.763 1.00 2.40 H new ATOM 0 HB2 HIS A 7 9.091 -23.403 3.566 1.00 3.53 H new ATOM 0 HB3 HIS A 7 8.302 -24.924 3.934 1.00 3.53 H new ATOM 0 HD2 HIS A 7 11.862 -23.344 4.128 1.00 42.11 H new ATOM 0 HE1 HIS A 7 12.175 -27.381 5.387 1.00 60.45 H new ATOM 0 HE2 HIS A 7 13.395 -25.160 5.203 1.00 62.24 H new ATOM 117 N HIS A 8 7.182 -23.464 1.042 1.00 32.20 N ATOM 118 CA HIS A 8 5.825 -23.160 0.509 1.00 21.43 C ATOM 119 C HIS A 8 4.706 -23.516 1.540 1.00 11.44 C ATOM 120 O HIS A 8 3.528 -23.629 1.192 1.00 43.45 O ATOM 121 CB HIS A 8 5.625 -23.880 -0.868 1.00 44.15 C ATOM 122 CG HIS A 8 4.442 -23.407 -1.680 1.00 41.53 C ATOM 123 ND1 HIS A 8 3.179 -23.947 -1.557 1.00 22.10 N ATOM 124 CD2 HIS A 8 4.336 -22.436 -2.622 1.00 50.01 C ATOM 125 CE1 HIS A 8 2.355 -23.339 -2.381 1.00 35.33 C ATOM 126 NE2 HIS A 8 3.025 -22.419 -3.035 1.00 13.23 N ATOM 0 H HIS A 8 7.780 -22.640 1.108 1.00 32.20 H new ATOM 0 HA HIS A 8 5.744 -22.086 0.342 1.00 21.43 H new ATOM 0 HB2 HIS A 8 6.529 -23.748 -1.463 1.00 44.15 H new ATOM 0 HB3 HIS A 8 5.516 -24.949 -0.687 1.00 44.15 H new ATOM 0 HD2 HIS A 8 5.131 -21.798 -2.979 1.00 50.01 H new ATOM 0 HE1 HIS A 8 1.304 -23.559 -2.500 1.00 35.33 H new ATOM 0 HE2 HIS A 8 2.635 -21.791 -3.738 1.00 13.23 H new ATOM 135 N SER A 9 5.094 -23.644 2.826 1.00 55.02 N ATOM 136 CA SER A 9 4.182 -24.058 3.910 1.00 61.45 C ATOM 137 C SER A 9 3.266 -22.886 4.331 1.00 52.12 C ATOM 138 O SER A 9 3.606 -22.093 5.218 1.00 74.53 O ATOM 139 CB SER A 9 4.994 -24.609 5.115 1.00 12.50 C ATOM 140 OG SER A 9 4.144 -25.114 6.134 1.00 51.02 O ATOM 0 H SER A 9 6.047 -23.463 3.141 1.00 55.02 H new ATOM 0 HA SER A 9 3.540 -24.859 3.543 1.00 61.45 H new ATOM 0 HB2 SER A 9 5.662 -25.400 4.773 1.00 12.50 H new ATOM 0 HB3 SER A 9 5.621 -23.817 5.524 1.00 12.50 H new ATOM 0 HG SER A 9 4.688 -25.454 6.875 1.00 51.02 H new ATOM 146 N HIS A 10 2.125 -22.759 3.626 1.00 1.54 N ATOM 147 CA HIS A 10 1.128 -21.701 3.871 1.00 72.11 C ATOM 148 C HIS A 10 0.391 -21.954 5.210 1.00 14.11 C ATOM 149 O HIS A 10 -0.345 -22.940 5.331 1.00 43.13 O ATOM 150 CB HIS A 10 0.125 -21.651 2.681 1.00 5.23 C ATOM 151 CG HIS A 10 -0.841 -20.489 2.707 1.00 54.42 C ATOM 152 ND1 HIS A 10 -1.906 -20.411 3.575 1.00 52.11 N ATOM 153 CD2 HIS A 10 -0.893 -19.358 1.960 1.00 74.51 C ATOM 154 CE1 HIS A 10 -2.568 -19.292 3.365 1.00 60.00 C ATOM 155 NE2 HIS A 10 -1.976 -18.634 2.394 1.00 63.12 N ATOM 0 H HIS A 10 1.869 -23.391 2.867 1.00 1.54 H new ATOM 0 HA HIS A 10 1.632 -20.737 3.946 1.00 72.11 H new ATOM 0 HB2 HIS A 10 0.691 -21.613 1.750 1.00 5.23 H new ATOM 0 HB3 HIS A 10 -0.447 -22.579 2.668 1.00 5.23 H new ATOM 0 HD1 HIS A 10 -2.146 -21.113 4.275 1.00 52.11 H new ATOM 0 HD2 HIS A 10 -0.210 -19.079 1.171 1.00 74.51 H new ATOM 0 HE1 HIS A 10 -3.449 -18.970 3.901 1.00 60.00 H new ATOM 164 N MET A 11 0.621 -21.063 6.204 1.00 61.33 N ATOM 165 CA MET A 11 -0.012 -21.142 7.548 1.00 60.35 C ATOM 166 C MET A 11 -1.557 -21.174 7.443 1.00 60.04 C ATOM 167 O MET A 11 -2.184 -20.139 7.167 1.00 30.10 O ATOM 168 CB MET A 11 0.446 -19.948 8.436 1.00 42.22 C ATOM 169 CG MET A 11 -0.146 -19.938 9.864 1.00 3.34 C ATOM 170 SD MET A 11 0.260 -18.447 10.806 1.00 63.34 S ATOM 171 CE MET A 11 -0.508 -17.161 9.817 1.00 63.33 C ATOM 0 H MET A 11 1.251 -20.268 6.099 1.00 61.33 H new ATOM 0 HA MET A 11 0.311 -22.072 8.015 1.00 60.35 H new ATOM 0 HB2 MET A 11 1.533 -19.964 8.509 1.00 42.22 H new ATOM 0 HB3 MET A 11 0.173 -19.018 7.938 1.00 42.22 H new ATOM 0 HG2 MET A 11 -1.230 -20.033 9.800 1.00 3.34 H new ATOM 0 HG3 MET A 11 0.219 -20.811 10.406 1.00 3.34 H new ATOM 0 HE1 MET A 11 -1.015 -16.453 10.472 1.00 63.33 H new ATOM 0 HE2 MET A 11 0.257 -16.639 9.241 1.00 63.33 H new ATOM 0 HE3 MET A 11 -1.232 -17.609 9.137 1.00 63.33 H new ATOM 181 N ILE A 12 -2.134 -22.387 7.658 1.00 71.34 N ATOM 182 CA ILE A 12 -3.574 -22.693 7.495 1.00 20.12 C ATOM 183 C ILE A 12 -4.028 -22.509 6.016 1.00 60.22 C ATOM 184 O ILE A 12 -3.804 -21.459 5.407 1.00 55.05 O ATOM 185 CB ILE A 12 -4.480 -21.835 8.462 1.00 31.32 C ATOM 186 CG1 ILE A 12 -4.060 -22.041 9.958 1.00 44.31 C ATOM 187 CG2 ILE A 12 -5.985 -22.152 8.258 1.00 4.23 C ATOM 188 CD1 ILE A 12 -4.816 -21.179 10.964 1.00 50.21 C ATOM 0 H ILE A 12 -1.592 -23.198 7.957 1.00 71.34 H new ATOM 0 HA ILE A 12 -3.703 -23.740 7.768 1.00 20.12 H new ATOM 0 HB ILE A 12 -4.327 -20.785 8.211 1.00 31.32 H new ATOM 0 HG12 ILE A 12 -4.205 -23.089 10.219 1.00 44.31 H new ATOM 0 HG13 ILE A 12 -2.994 -21.833 10.052 1.00 44.31 H new ATOM 0 HG21 ILE A 12 -6.580 -21.544 8.939 1.00 4.23 H new ATOM 0 HG22 ILE A 12 -6.268 -21.927 7.230 1.00 4.23 H new ATOM 0 HG23 ILE A 12 -6.165 -23.208 8.462 1.00 4.23 H new ATOM 0 HD11 ILE A 12 -4.455 -21.393 11.970 1.00 50.21 H new ATOM 0 HD12 ILE A 12 -4.652 -20.126 10.736 1.00 50.21 H new ATOM 0 HD13 ILE A 12 -5.881 -21.401 10.906 1.00 50.21 H new ATOM 200 N LYS A 13 -4.696 -23.523 5.444 1.00 34.01 N ATOM 201 CA LYS A 13 -5.232 -23.458 4.056 1.00 71.44 C ATOM 202 C LYS A 13 -6.627 -22.773 4.060 1.00 31.34 C ATOM 203 O LYS A 13 -7.618 -23.300 3.541 1.00 35.44 O ATOM 204 CB LYS A 13 -5.266 -24.886 3.422 1.00 0.45 C ATOM 205 CG LYS A 13 -3.871 -25.500 3.110 1.00 11.14 C ATOM 206 CD LYS A 13 -3.048 -25.883 4.373 1.00 60.14 C ATOM 207 CE LYS A 13 -1.637 -26.404 4.039 1.00 24.12 C ATOM 208 NZ LYS A 13 -1.674 -27.659 3.240 1.00 72.31 N ATOM 0 H LYS A 13 -4.884 -24.407 5.917 1.00 34.01 H new ATOM 0 HA LYS A 13 -4.574 -22.851 3.434 1.00 71.44 H new ATOM 0 HB2 LYS A 13 -5.798 -25.555 4.099 1.00 0.45 H new ATOM 0 HB3 LYS A 13 -5.842 -24.843 2.498 1.00 0.45 H new ATOM 0 HG2 LYS A 13 -4.007 -26.389 2.495 1.00 11.14 H new ATOM 0 HG3 LYS A 13 -3.297 -24.788 2.518 1.00 11.14 H new ATOM 0 HD2 LYS A 13 -2.963 -25.011 5.022 1.00 60.14 H new ATOM 0 HD3 LYS A 13 -3.588 -26.646 4.933 1.00 60.14 H new ATOM 0 HE2 LYS A 13 -1.091 -25.640 3.486 1.00 24.12 H new ATOM 0 HE3 LYS A 13 -1.089 -26.581 4.964 1.00 24.12 H new ATOM 0 HZ1 LYS A 13 -0.703 -27.990 3.068 1.00 72.31 H new ATOM 0 HZ2 LYS A 13 -2.201 -28.388 3.762 1.00 72.31 H new ATOM 0 HZ3 LYS A 13 -2.144 -27.478 2.330 1.00 72.31 H new ATOM 222 N ARG A 14 -6.650 -21.572 4.664 1.00 11.41 N ATOM 223 CA ARG A 14 -7.844 -20.726 4.867 1.00 0.43 C ATOM 224 C ARG A 14 -8.396 -20.178 3.533 1.00 41.10 C ATOM 225 O ARG A 14 -9.612 -20.068 3.350 1.00 11.35 O ATOM 226 CB ARG A 14 -7.444 -19.550 5.805 1.00 23.21 C ATOM 227 CG ARG A 14 -8.561 -18.528 6.122 1.00 53.21 C ATOM 228 CD ARG A 14 -8.044 -17.323 6.930 1.00 64.43 C ATOM 229 NE ARG A 14 -9.112 -16.349 7.208 1.00 2.31 N ATOM 230 CZ ARG A 14 -8.942 -15.063 7.418 1.00 10.14 C ATOM 231 NH1 ARG A 14 -7.763 -14.520 7.365 1.00 62.21 N ATOM 232 NH2 ARG A 14 -9.969 -14.323 7.668 1.00 62.33 N ATOM 0 H ARG A 14 -5.804 -21.145 5.040 1.00 11.41 H new ATOM 0 HA ARG A 14 -8.636 -21.328 5.313 1.00 0.43 H new ATOM 0 HB2 ARG A 14 -7.083 -19.967 6.745 1.00 23.21 H new ATOM 0 HB3 ARG A 14 -6.609 -19.017 5.351 1.00 23.21 H new ATOM 0 HG2 ARG A 14 -9.001 -18.175 5.190 1.00 53.21 H new ATOM 0 HG3 ARG A 14 -9.355 -19.023 6.682 1.00 53.21 H new ATOM 0 HD2 ARG A 14 -7.618 -17.673 7.870 1.00 64.43 H new ATOM 0 HD3 ARG A 14 -7.241 -16.834 6.378 1.00 64.43 H new ATOM 0 HE ARG A 14 -10.068 -16.703 7.240 1.00 2.31 H new ATOM 0 HH11 ARG A 14 -6.946 -15.094 7.157 1.00 62.21 H new ATOM 0 HH12 ARG A 14 -7.654 -13.520 7.531 1.00 62.21 H new ATOM 0 HH21 ARG A 14 -10.900 -14.738 7.701 1.00 62.33 H new ATOM 0 HH22 ARG A 14 -9.849 -13.324 7.833 1.00 62.33 H new ATOM 246 N THR A 15 -7.473 -19.841 2.613 1.00 20.14 N ATOM 247 CA THR A 15 -7.790 -19.202 1.318 1.00 61.22 C ATOM 248 C THR A 15 -8.513 -20.165 0.341 1.00 61.43 C ATOM 249 O THR A 15 -7.897 -20.801 -0.523 1.00 20.12 O ATOM 250 CB THR A 15 -6.497 -18.600 0.662 1.00 11.42 C ATOM 251 OG1 THR A 15 -5.469 -19.607 0.579 1.00 12.02 O ATOM 252 CG2 THR A 15 -5.961 -17.396 1.459 1.00 34.13 C ATOM 0 H THR A 15 -6.475 -20.006 2.747 1.00 20.14 H new ATOM 0 HA THR A 15 -8.485 -18.388 1.527 1.00 61.22 H new ATOM 0 HB THR A 15 -6.767 -18.258 -0.337 1.00 11.42 H new ATOM 0 HG1 THR A 15 -5.841 -20.422 0.182 1.00 12.02 H new ATOM 0 HG21 THR A 15 -5.066 -17.008 0.973 1.00 34.13 H new ATOM 0 HG22 THR A 15 -6.722 -16.616 1.495 1.00 34.13 H new ATOM 0 HG23 THR A 15 -5.716 -17.711 2.473 1.00 34.13 H new ATOM 260 N ASN A 16 -9.833 -20.299 0.547 1.00 12.21 N ATOM 261 CA ASN A 16 -10.753 -21.014 -0.362 1.00 11.33 C ATOM 262 C ASN A 16 -11.505 -19.989 -1.255 1.00 35.44 C ATOM 263 O ASN A 16 -12.066 -20.344 -2.301 1.00 24.10 O ATOM 264 CB ASN A 16 -11.743 -21.863 0.481 1.00 73.11 C ATOM 265 CG ASN A 16 -12.664 -22.752 -0.359 1.00 31.41 C ATOM 266 OD1 ASN A 16 -13.768 -22.361 -0.717 1.00 50.22 O ATOM 267 ND2 ASN A 16 -12.210 -23.945 -0.705 1.00 0.44 N ATOM 0 H ASN A 16 -10.302 -19.908 1.364 1.00 12.21 H new ATOM 0 HA ASN A 16 -10.194 -21.683 -1.016 1.00 11.33 H new ATOM 0 HB2 ASN A 16 -11.175 -22.490 1.168 1.00 73.11 H new ATOM 0 HB3 ASN A 16 -12.353 -21.195 1.089 1.00 73.11 H new ATOM 0 HD21 ASN A 16 -12.783 -24.561 -1.282 1.00 0.44 H new ATOM 0 HD22 ASN A 16 -11.287 -24.249 -0.395 1.00 0.44 H new ATOM 274 N GLU A 17 -11.499 -18.711 -0.815 1.00 5.54 N ATOM 275 CA GLU A 17 -12.111 -17.584 -1.550 1.00 62.11 C ATOM 276 C GLU A 17 -11.441 -17.364 -2.940 1.00 0.50 C ATOM 277 O GLU A 17 -10.249 -17.669 -3.112 1.00 32.32 O ATOM 278 CB GLU A 17 -11.996 -16.275 -0.709 1.00 3.33 C ATOM 279 CG GLU A 17 -10.547 -15.812 -0.417 1.00 63.35 C ATOM 280 CD GLU A 17 -10.476 -14.424 0.239 1.00 2.32 C ATOM 281 OE1 GLU A 17 -10.600 -14.336 1.484 1.00 11.34 O ATOM 282 OE2 GLU A 17 -10.300 -13.418 -0.483 1.00 34.43 O ATOM 0 H GLU A 17 -11.066 -18.432 0.066 1.00 5.54 H new ATOM 0 HA GLU A 17 -13.159 -17.833 -1.715 1.00 62.11 H new ATOM 0 HB2 GLU A 17 -12.518 -15.476 -1.235 1.00 3.33 H new ATOM 0 HB3 GLU A 17 -12.513 -16.423 0.239 1.00 3.33 H new ATOM 0 HG2 GLU A 17 -10.064 -16.540 0.235 1.00 63.35 H new ATOM 0 HG3 GLU A 17 -9.983 -15.795 -1.349 1.00 63.35 H new ATOM 289 N PRO A 18 -12.213 -16.875 -3.964 1.00 2.54 N ATOM 290 CA PRO A 18 -11.637 -16.373 -5.241 1.00 14.40 C ATOM 291 C PRO A 18 -10.557 -15.272 -5.052 1.00 12.32 C ATOM 292 O PRO A 18 -10.586 -14.508 -4.079 1.00 21.35 O ATOM 293 CB PRO A 18 -12.868 -15.803 -5.991 1.00 45.21 C ATOM 294 CG PRO A 18 -14.030 -16.573 -5.445 1.00 31.24 C ATOM 295 CD PRO A 18 -13.701 -16.838 -3.990 1.00 64.04 C ATOM 0 HA PRO A 18 -11.114 -17.167 -5.774 1.00 14.40 H new ATOM 0 HB2 PRO A 18 -12.981 -14.734 -5.812 1.00 45.21 H new ATOM 0 HB3 PRO A 18 -12.774 -15.938 -7.068 1.00 45.21 H new ATOM 0 HG2 PRO A 18 -14.955 -16.005 -5.540 1.00 31.24 H new ATOM 0 HG3 PRO A 18 -14.172 -17.506 -5.990 1.00 31.24 H new ATOM 0 HD2 PRO A 18 -14.093 -16.054 -3.342 1.00 64.04 H new ATOM 0 HD3 PRO A 18 -14.131 -17.779 -3.648 1.00 64.04 H new ATOM 303 N LEU A 19 -9.624 -15.203 -6.012 1.00 4.41 N ATOM 304 CA LEU A 19 -8.538 -14.197 -6.033 1.00 42.14 C ATOM 305 C LEU A 19 -9.123 -12.766 -6.233 1.00 33.41 C ATOM 306 O LEU A 19 -8.570 -11.774 -5.736 1.00 12.23 O ATOM 307 CB LEU A 19 -7.515 -14.574 -7.159 1.00 52.44 C ATOM 308 CG LEU A 19 -6.001 -14.402 -6.824 1.00 21.42 C ATOM 309 CD1 LEU A 19 -5.633 -12.936 -6.547 1.00 12.12 C ATOM 310 CD2 LEU A 19 -5.579 -15.314 -5.647 1.00 54.13 C ATOM 0 H LEU A 19 -9.596 -15.845 -6.804 1.00 4.41 H new ATOM 0 HA LEU A 19 -8.014 -14.195 -5.077 1.00 42.14 H new ATOM 0 HB2 LEU A 19 -7.685 -15.614 -7.437 1.00 52.44 H new ATOM 0 HB3 LEU A 19 -7.739 -13.969 -8.037 1.00 52.44 H new ATOM 0 HG LEU A 19 -5.443 -14.712 -7.708 1.00 21.42 H new ATOM 0 HD11 LEU A 19 -4.570 -12.865 -6.318 1.00 12.12 H new ATOM 0 HD12 LEU A 19 -5.856 -12.332 -7.427 1.00 12.12 H new ATOM 0 HD13 LEU A 19 -6.212 -12.570 -5.699 1.00 12.12 H new ATOM 0 HD21 LEU A 19 -4.519 -15.171 -5.438 1.00 54.13 H new ATOM 0 HD22 LEU A 19 -6.161 -15.058 -4.762 1.00 54.13 H new ATOM 0 HD23 LEU A 19 -5.759 -16.356 -5.911 1.00 54.13 H new ATOM 322 N ASP A 20 -10.249 -12.693 -6.974 1.00 73.52 N ATOM 323 CA ASP A 20 -11.042 -11.454 -7.148 1.00 73.23 C ATOM 324 C ASP A 20 -11.515 -10.870 -5.788 1.00 72.24 C ATOM 325 O ASP A 20 -11.506 -9.642 -5.593 1.00 71.44 O ATOM 326 CB ASP A 20 -12.261 -11.746 -8.057 1.00 45.52 C ATOM 327 CG ASP A 20 -13.146 -10.509 -8.295 1.00 44.52 C ATOM 328 OD1 ASP A 20 -12.742 -9.639 -9.088 1.00 20.01 O ATOM 329 OD2 ASP A 20 -14.239 -10.399 -7.693 1.00 50.34 O ATOM 0 H ASP A 20 -10.637 -13.495 -7.471 1.00 73.52 H new ATOM 0 HA ASP A 20 -10.401 -10.706 -7.615 1.00 73.23 H new ATOM 0 HB2 ASP A 20 -11.909 -12.124 -9.017 1.00 45.52 H new ATOM 0 HB3 ASP A 20 -12.863 -12.535 -7.606 1.00 45.52 H new ATOM 334 N LYS A 21 -11.942 -11.759 -4.869 1.00 24.33 N ATOM 335 CA LYS A 21 -12.368 -11.357 -3.511 1.00 40.43 C ATOM 336 C LYS A 21 -11.227 -10.697 -2.709 1.00 64.43 C ATOM 337 O LYS A 21 -11.460 -9.692 -2.035 1.00 34.13 O ATOM 338 CB LYS A 21 -12.959 -12.547 -2.717 1.00 54.25 C ATOM 339 CG LYS A 21 -14.389 -12.939 -3.142 1.00 70.31 C ATOM 340 CD LYS A 21 -15.070 -13.884 -2.134 1.00 21.33 C ATOM 341 CE LYS A 21 -15.189 -13.275 -0.721 1.00 54.52 C ATOM 342 NZ LYS A 21 -15.737 -14.243 0.260 1.00 22.24 N ATOM 0 H LYS A 21 -12.001 -12.762 -5.042 1.00 24.33 H new ATOM 0 HA LYS A 21 -13.152 -10.613 -3.650 1.00 40.43 H new ATOM 0 HB2 LYS A 21 -12.306 -13.411 -2.838 1.00 54.25 H new ATOM 0 HB3 LYS A 21 -12.963 -12.296 -1.656 1.00 54.25 H new ATOM 0 HG2 LYS A 21 -14.991 -12.037 -3.252 1.00 70.31 H new ATOM 0 HG3 LYS A 21 -14.354 -13.421 -4.119 1.00 70.31 H new ATOM 0 HD2 LYS A 21 -16.065 -14.139 -2.499 1.00 21.33 H new ATOM 0 HD3 LYS A 21 -14.504 -14.814 -2.076 1.00 21.33 H new ATOM 0 HE2 LYS A 21 -14.207 -12.939 -0.388 1.00 54.52 H new ATOM 0 HE3 LYS A 21 -15.831 -12.395 -0.759 1.00 54.52 H new ATOM 0 HZ1 LYS A 21 -15.800 -13.792 1.195 1.00 22.24 H new ATOM 0 HZ2 LYS A 21 -16.685 -14.545 -0.043 1.00 22.24 H new ATOM 0 HZ3 LYS A 21 -15.111 -15.072 0.317 1.00 22.24 H new ATOM 356 N LYS A 22 -10.010 -11.269 -2.779 1.00 4.15 N ATOM 357 CA LYS A 22 -8.825 -10.691 -2.107 1.00 45.51 C ATOM 358 C LYS A 22 -8.516 -9.271 -2.643 1.00 21.53 C ATOM 359 O LYS A 22 -8.288 -8.354 -1.858 1.00 51.35 O ATOM 360 CB LYS A 22 -7.589 -11.609 -2.262 1.00 31.40 C ATOM 361 CG LYS A 22 -6.314 -11.065 -1.564 1.00 24.34 C ATOM 362 CD LYS A 22 -5.118 -12.038 -1.627 1.00 23.53 C ATOM 363 CE LYS A 22 -4.679 -12.361 -3.063 1.00 14.42 C ATOM 364 NZ LYS A 22 -3.605 -13.384 -3.096 1.00 32.33 N ATOM 0 H LYS A 22 -9.819 -12.129 -3.293 1.00 4.15 H new ATOM 0 HA LYS A 22 -9.058 -10.612 -1.045 1.00 45.51 H new ATOM 0 HB2 LYS A 22 -7.824 -12.592 -1.854 1.00 31.40 H new ATOM 0 HB3 LYS A 22 -7.381 -11.746 -3.323 1.00 31.40 H new ATOM 0 HG2 LYS A 22 -6.029 -10.121 -2.028 1.00 24.34 H new ATOM 0 HG3 LYS A 22 -6.544 -10.850 -0.520 1.00 24.34 H new ATOM 0 HD2 LYS A 22 -4.277 -11.606 -1.085 1.00 23.53 H new ATOM 0 HD3 LYS A 22 -5.384 -12.964 -1.118 1.00 23.53 H new ATOM 0 HE2 LYS A 22 -5.537 -12.717 -3.634 1.00 14.42 H new ATOM 0 HE3 LYS A 22 -4.328 -11.451 -3.549 1.00 14.42 H new ATOM 0 HZ1 LYS A 22 -2.729 -12.956 -3.459 1.00 32.33 H new ATOM 0 HZ2 LYS A 22 -3.441 -13.747 -2.135 1.00 32.33 H new ATOM 0 HZ3 LYS A 22 -3.891 -14.167 -3.718 1.00 32.33 H new ATOM 378 N ARG A 23 -8.532 -9.115 -3.985 1.00 52.53 N ATOM 379 CA ARG A 23 -8.370 -7.800 -4.670 1.00 3.54 C ATOM 380 C ARG A 23 -9.318 -6.724 -4.070 1.00 13.15 C ATOM 381 O ARG A 23 -8.887 -5.618 -3.721 1.00 0.11 O ATOM 382 CB ARG A 23 -8.642 -7.977 -6.191 1.00 14.54 C ATOM 383 CG ARG A 23 -8.463 -6.701 -7.055 1.00 2.22 C ATOM 384 CD ARG A 23 -8.940 -6.897 -8.512 1.00 64.50 C ATOM 385 NE ARG A 23 -10.390 -7.207 -8.582 1.00 75.42 N ATOM 386 CZ ARG A 23 -11.301 -6.494 -9.217 1.00 31.40 C ATOM 387 NH1 ARG A 23 -10.983 -5.458 -9.924 1.00 51.15 N ATOM 388 NH2 ARG A 23 -12.539 -6.836 -9.153 1.00 5.31 N ATOM 0 H ARG A 23 -8.657 -9.895 -4.631 1.00 52.53 H new ATOM 0 HA ARG A 23 -7.348 -7.453 -4.518 1.00 3.54 H new ATOM 0 HB2 ARG A 23 -7.976 -8.750 -6.574 1.00 14.54 H new ATOM 0 HB3 ARG A 23 -9.661 -8.342 -6.320 1.00 14.54 H new ATOM 0 HG2 ARG A 23 -9.018 -5.880 -6.602 1.00 2.22 H new ATOM 0 HG3 ARG A 23 -7.412 -6.412 -7.057 1.00 2.22 H new ATOM 0 HD2 ARG A 23 -8.734 -5.994 -9.086 1.00 64.50 H new ATOM 0 HD3 ARG A 23 -8.373 -7.705 -8.974 1.00 64.50 H new ATOM 0 HE ARG A 23 -10.710 -8.045 -8.097 1.00 75.42 H new ATOM 0 HH11 ARG A 23 -10.007 -5.174 -10.001 1.00 51.15 H new ATOM 0 HH12 ARG A 23 -11.709 -4.926 -10.404 1.00 51.15 H new ATOM 0 HH21 ARG A 23 -12.814 -7.656 -8.613 1.00 5.31 H new ATOM 0 HH22 ARG A 23 -13.246 -6.287 -9.643 1.00 5.31 H new ATOM 402 N ALA A 24 -10.604 -7.089 -3.925 1.00 14.32 N ATOM 403 CA ALA A 24 -11.628 -6.212 -3.314 1.00 1.00 C ATOM 404 C ALA A 24 -11.339 -5.925 -1.815 1.00 51.20 C ATOM 405 O ALA A 24 -11.493 -4.795 -1.355 1.00 25.32 O ATOM 406 CB ALA A 24 -13.022 -6.834 -3.491 1.00 24.33 C ATOM 0 H ALA A 24 -10.965 -7.995 -4.225 1.00 14.32 H new ATOM 0 HA ALA A 24 -11.593 -5.253 -3.830 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -13.771 -6.183 -3.039 1.00 24.33 H new ATOM 0 HB2 ALA A 24 -13.236 -6.951 -4.553 1.00 24.33 H new ATOM 0 HB3 ALA A 24 -13.049 -7.810 -3.006 1.00 24.33 H new ATOM 412 N ARG A 25 -10.913 -6.963 -1.069 1.00 30.20 N ATOM 413 CA ARG A 25 -10.569 -6.862 0.380 1.00 12.31 C ATOM 414 C ARG A 25 -9.391 -5.894 0.650 1.00 63.43 C ATOM 415 O ARG A 25 -9.344 -5.243 1.696 1.00 74.12 O ATOM 416 CB ARG A 25 -10.210 -8.263 0.938 1.00 2.11 C ATOM 417 CG ARG A 25 -11.402 -9.230 1.106 1.00 72.45 C ATOM 418 CD ARG A 25 -10.937 -10.676 1.386 1.00 31.42 C ATOM 419 NE ARG A 25 -9.946 -10.741 2.479 1.00 10.52 N ATOM 420 CZ ARG A 25 -8.779 -11.358 2.426 1.00 63.32 C ATOM 421 NH1 ARG A 25 -8.423 -12.068 1.395 1.00 4.31 N ATOM 422 NH2 ARG A 25 -7.976 -11.255 3.426 1.00 35.44 N ATOM 0 H ARG A 25 -10.794 -7.903 -1.447 1.00 30.20 H new ATOM 0 HA ARG A 25 -11.449 -6.462 0.884 1.00 12.31 H new ATOM 0 HB2 ARG A 25 -9.479 -8.725 0.274 1.00 2.11 H new ATOM 0 HB3 ARG A 25 -9.726 -8.137 1.906 1.00 2.11 H new ATOM 0 HG2 ARG A 25 -12.035 -8.887 1.925 1.00 72.45 H new ATOM 0 HG3 ARG A 25 -12.013 -9.214 0.203 1.00 72.45 H new ATOM 0 HD2 ARG A 25 -11.800 -11.290 1.643 1.00 31.42 H new ATOM 0 HD3 ARG A 25 -10.504 -11.099 0.479 1.00 31.42 H new ATOM 0 HE ARG A 25 -10.183 -10.268 3.351 1.00 10.52 H new ATOM 0 HH11 ARG A 25 -9.052 -12.160 0.597 1.00 4.31 H new ATOM 0 HH12 ARG A 25 -7.515 -12.532 1.385 1.00 4.31 H new ATOM 0 HH21 ARG A 25 -8.245 -10.704 4.241 1.00 35.44 H new ATOM 0 HH22 ARG A 25 -7.071 -11.724 3.403 1.00 35.44 H new ATOM 436 N LEU A 26 -8.437 -5.828 -0.283 1.00 31.22 N ATOM 437 CA LEU A 26 -7.252 -4.956 -0.160 1.00 4.33 C ATOM 438 C LEU A 26 -7.630 -3.469 -0.322 1.00 21.01 C ATOM 439 O LEU A 26 -7.242 -2.617 0.491 1.00 3.45 O ATOM 440 CB LEU A 26 -6.205 -5.348 -1.216 1.00 42.30 C ATOM 441 CG LEU A 26 -5.661 -6.802 -1.133 1.00 2.33 C ATOM 442 CD1 LEU A 26 -4.671 -7.068 -2.264 1.00 5.31 C ATOM 443 CD2 LEU A 26 -5.046 -7.089 0.247 1.00 13.35 C ATOM 0 H LEU A 26 -8.459 -6.373 -1.145 1.00 31.22 H new ATOM 0 HA LEU A 26 -6.834 -5.091 0.838 1.00 4.33 H new ATOM 0 HB2 LEU A 26 -6.642 -5.201 -2.204 1.00 42.30 H new ATOM 0 HB3 LEU A 26 -5.362 -4.661 -1.135 1.00 42.30 H new ATOM 0 HG LEU A 26 -6.498 -7.490 -1.256 1.00 2.33 H new ATOM 0 HD11 LEU A 26 -4.300 -8.090 -2.190 1.00 5.31 H new ATOM 0 HD12 LEU A 26 -5.169 -6.931 -3.224 1.00 5.31 H new ATOM 0 HD13 LEU A 26 -3.835 -6.373 -2.187 1.00 5.31 H new ATOM 0 HD21 LEU A 26 -4.675 -8.113 0.274 1.00 13.35 H new ATOM 0 HD22 LEU A 26 -4.222 -6.399 0.429 1.00 13.35 H new ATOM 0 HD23 LEU A 26 -5.805 -6.958 1.018 1.00 13.35 H new ATOM 455 N ILE A 27 -8.385 -3.183 -1.392 1.00 20.34 N ATOM 456 CA ILE A 27 -8.951 -1.840 -1.654 1.00 10.30 C ATOM 457 C ILE A 27 -9.908 -1.410 -0.501 1.00 35.32 C ATOM 458 O ILE A 27 -9.996 -0.234 -0.166 1.00 25.03 O ATOM 459 CB ILE A 27 -9.693 -1.815 -3.045 1.00 73.34 C ATOM 460 CG1 ILE A 27 -8.734 -2.304 -4.177 1.00 53.04 C ATOM 461 CG2 ILE A 27 -10.251 -0.410 -3.374 1.00 64.14 C ATOM 462 CD1 ILE A 27 -9.337 -2.371 -5.571 1.00 12.25 C ATOM 0 H ILE A 27 -8.624 -3.873 -2.104 1.00 20.34 H new ATOM 0 HA ILE A 27 -8.132 -1.122 -1.694 1.00 10.30 H new ATOM 0 HB ILE A 27 -10.543 -2.495 -2.980 1.00 73.34 H new ATOM 0 HG12 ILE A 27 -7.870 -1.641 -4.207 1.00 53.04 H new ATOM 0 HG13 ILE A 27 -8.366 -3.295 -3.913 1.00 53.04 H new ATOM 0 HG21 ILE A 27 -10.755 -0.436 -4.340 1.00 64.14 H new ATOM 0 HG22 ILE A 27 -10.961 -0.111 -2.603 1.00 64.14 H new ATOM 0 HG23 ILE A 27 -9.431 0.308 -3.411 1.00 64.14 H new ATOM 0 HD11 ILE A 27 -8.584 -2.722 -6.277 1.00 12.25 H new ATOM 0 HD12 ILE A 27 -10.182 -3.060 -5.569 1.00 12.25 H new ATOM 0 HD13 ILE A 27 -9.678 -1.379 -5.868 1.00 12.25 H new ATOM 474 N TYR A 28 -10.586 -2.394 0.114 1.00 14.54 N ATOM 475 CA TYR A 28 -11.404 -2.195 1.335 1.00 33.52 C ATOM 476 C TYR A 28 -10.537 -1.697 2.529 1.00 5.32 C ATOM 477 O TYR A 28 -10.906 -0.737 3.209 1.00 41.21 O ATOM 478 CB TYR A 28 -12.138 -3.527 1.676 1.00 14.12 C ATOM 479 CG TYR A 28 -12.824 -3.595 3.057 1.00 73.21 C ATOM 480 CD1 TYR A 28 -13.807 -2.674 3.425 1.00 63.43 C ATOM 481 CD2 TYR A 28 -12.482 -4.585 3.987 1.00 21.13 C ATOM 482 CE1 TYR A 28 -14.420 -2.738 4.662 1.00 22.43 C ATOM 483 CE2 TYR A 28 -13.100 -4.653 5.222 1.00 11.55 C ATOM 484 CZ TYR A 28 -14.066 -3.726 5.555 1.00 74.32 C ATOM 485 OH TYR A 28 -14.691 -3.795 6.781 1.00 12.30 O ATOM 0 H TYR A 28 -10.585 -3.358 -0.220 1.00 14.54 H new ATOM 0 HA TYR A 28 -12.145 -1.418 1.147 1.00 33.52 H new ATOM 0 HB2 TYR A 28 -12.892 -3.708 0.910 1.00 14.12 H new ATOM 0 HB3 TYR A 28 -11.416 -4.341 1.612 1.00 14.12 H new ATOM 0 HD1 TYR A 28 -14.093 -1.898 2.731 1.00 63.43 H new ATOM 0 HD2 TYR A 28 -11.721 -5.309 3.735 1.00 21.13 H new ATOM 0 HE1 TYR A 28 -15.176 -2.014 4.929 1.00 22.43 H new ATOM 0 HE2 TYR A 28 -12.828 -5.428 5.923 1.00 11.55 H new ATOM 0 HH TYR A 28 -14.328 -4.548 7.292 1.00 12.30 H new ATOM 495 N GLN A 29 -9.377 -2.343 2.755 1.00 33.44 N ATOM 496 CA GLN A 29 -8.454 -1.995 3.874 1.00 23.43 C ATOM 497 C GLN A 29 -7.759 -0.619 3.672 1.00 52.04 C ATOM 498 O GLN A 29 -7.319 0.002 4.644 1.00 72.25 O ATOM 499 CB GLN A 29 -7.393 -3.106 4.066 1.00 45.04 C ATOM 500 CG GLN A 29 -7.958 -4.483 4.464 1.00 74.31 C ATOM 501 CD GLN A 29 -6.876 -5.561 4.597 1.00 3.25 C ATOM 502 OE1 GLN A 29 -6.319 -5.771 5.670 1.00 11.22 O ATOM 503 NE2 GLN A 29 -6.566 -6.242 3.505 1.00 13.14 N ATOM 0 H GLN A 29 -9.047 -3.116 2.177 1.00 33.44 H new ATOM 0 HA GLN A 29 -9.065 -1.917 4.773 1.00 23.43 H new ATOM 0 HB2 GLN A 29 -6.831 -3.215 3.139 1.00 45.04 H new ATOM 0 HB3 GLN A 29 -6.687 -2.785 4.831 1.00 45.04 H new ATOM 0 HG2 GLN A 29 -8.489 -4.391 5.411 1.00 74.31 H new ATOM 0 HG3 GLN A 29 -8.688 -4.799 3.719 1.00 74.31 H new ATOM 0 HE21 GLN A 29 -7.047 -6.045 2.627 1.00 13.14 H new ATOM 0 HE22 GLN A 29 -5.846 -6.964 3.541 1.00 13.14 H new ATOM 512 N SER A 30 -7.670 -0.148 2.411 1.00 11.13 N ATOM 513 CA SER A 30 -7.110 1.197 2.103 1.00 54.33 C ATOM 514 C SER A 30 -8.127 2.323 2.451 1.00 50.21 C ATOM 515 O SER A 30 -7.762 3.500 2.478 1.00 34.31 O ATOM 516 CB SER A 30 -6.666 1.296 0.615 1.00 41.34 C ATOM 517 OG SER A 30 -7.769 1.285 -0.279 1.00 54.22 O ATOM 0 H SER A 30 -7.975 -0.671 1.590 1.00 11.13 H new ATOM 0 HA SER A 30 -6.227 1.335 2.727 1.00 54.33 H new ATOM 0 HB2 SER A 30 -6.093 2.211 0.470 1.00 41.34 H new ATOM 0 HB3 SER A 30 -6.003 0.464 0.380 1.00 41.34 H new ATOM 0 HG SER A 30 -8.420 0.614 0.013 1.00 54.22 H new ATOM 523 N ARG A 31 -9.409 1.939 2.703 1.00 11.30 N ATOM 524 CA ARG A 31 -10.471 2.870 3.180 1.00 3.50 C ATOM 525 C ARG A 31 -10.467 3.028 4.722 1.00 1.31 C ATOM 526 O ARG A 31 -11.080 3.966 5.242 1.00 34.05 O ATOM 527 CB ARG A 31 -11.888 2.410 2.692 1.00 0.31 C ATOM 528 CG ARG A 31 -12.308 2.938 1.301 1.00 53.25 C ATOM 529 CD ARG A 31 -11.346 2.530 0.181 1.00 62.10 C ATOM 530 NE ARG A 31 -11.690 3.146 -1.107 1.00 13.31 N ATOM 531 CZ ARG A 31 -10.915 3.155 -2.168 1.00 52.15 C ATOM 532 NH1 ARG A 31 -9.736 2.604 -2.151 1.00 34.41 N ATOM 533 NH2 ARG A 31 -11.321 3.739 -3.245 1.00 12.41 N ATOM 0 H ARG A 31 -9.734 0.980 2.582 1.00 11.30 H new ATOM 0 HA ARG A 31 -10.246 3.844 2.746 1.00 3.50 H new ATOM 0 HB2 ARG A 31 -11.912 1.320 2.672 1.00 0.31 H new ATOM 0 HB3 ARG A 31 -12.629 2.731 3.424 1.00 0.31 H new ATOM 0 HG2 ARG A 31 -13.306 2.568 1.066 1.00 53.25 H new ATOM 0 HG3 ARG A 31 -12.372 4.026 1.337 1.00 53.25 H new ATOM 0 HD2 ARG A 31 -10.331 2.815 0.457 1.00 62.10 H new ATOM 0 HD3 ARG A 31 -11.355 1.445 0.075 1.00 62.10 H new ATOM 0 HE ARG A 31 -12.599 3.601 -1.184 1.00 13.31 H new ATOM 0 HH11 ARG A 31 -9.396 2.153 -1.302 1.00 34.41 H new ATOM 0 HH12 ARG A 31 -9.152 2.623 -2.987 1.00 34.41 H new ATOM 0 HH21 ARG A 31 -12.236 4.188 -3.267 1.00 12.41 H new ATOM 0 HH22 ARG A 31 -10.726 3.751 -4.074 1.00 12.41 H new ATOM 547 N LYS A 32 -9.807 2.111 5.468 1.00 44.32 N ATOM 548 CA LYS A 32 -9.622 2.291 6.930 1.00 13.50 C ATOM 549 C LYS A 32 -8.146 2.658 7.207 1.00 40.21 C ATOM 550 O LYS A 32 -7.252 1.820 7.052 1.00 60.44 O ATOM 551 CB LYS A 32 -10.020 1.009 7.735 1.00 45.35 C ATOM 552 CG LYS A 32 -11.435 0.425 7.424 1.00 1.03 C ATOM 553 CD LYS A 32 -11.424 -0.691 6.341 1.00 61.30 C ATOM 554 CE LYS A 32 -11.016 -2.086 6.883 1.00 72.23 C ATOM 555 NZ LYS A 32 -9.678 -2.122 7.529 1.00 43.14 N ATOM 0 H LYS A 32 -9.400 1.254 5.092 1.00 44.32 H new ATOM 0 HA LYS A 32 -10.280 3.094 7.263 1.00 13.50 H new ATOM 0 HB2 LYS A 32 -9.277 0.235 7.541 1.00 45.35 H new ATOM 0 HB3 LYS A 32 -9.969 1.240 8.799 1.00 45.35 H new ATOM 0 HG2 LYS A 32 -11.863 0.024 8.343 1.00 1.03 H new ATOM 0 HG3 LYS A 32 -12.088 1.233 7.094 1.00 1.03 H new ATOM 0 HD2 LYS A 32 -12.416 -0.761 5.895 1.00 61.30 H new ATOM 0 HD3 LYS A 32 -10.736 -0.405 5.545 1.00 61.30 H new ATOM 0 HE2 LYS A 32 -11.764 -2.416 7.604 1.00 72.23 H new ATOM 0 HE3 LYS A 32 -11.029 -2.801 6.060 1.00 72.23 H new ATOM 0 HZ1 LYS A 32 -9.384 -3.110 7.665 1.00 43.14 H new ATOM 0 HZ2 LYS A 32 -8.987 -1.636 6.923 1.00 43.14 H new ATOM 0 HZ3 LYS A 32 -9.725 -1.645 8.452 1.00 43.14 H new ATOM 569 N ARG A 33 -7.925 3.905 7.652 1.00 33.22 N ATOM 570 CA ARG A 33 -6.585 4.473 7.924 1.00 74.05 C ATOM 571 C ARG A 33 -6.704 5.550 9.035 1.00 2.14 C ATOM 572 O ARG A 33 -7.775 6.151 9.214 1.00 74.13 O ATOM 573 CB ARG A 33 -5.957 5.084 6.606 1.00 32.02 C ATOM 574 CG ARG A 33 -4.574 4.496 6.201 1.00 0.31 C ATOM 575 CD ARG A 33 -4.644 3.018 5.728 1.00 21.53 C ATOM 576 NE ARG A 33 -3.487 2.216 6.178 1.00 53.13 N ATOM 577 CZ ARG A 33 -3.463 0.894 6.264 1.00 62.33 C ATOM 578 NH1 ARG A 33 -4.456 0.161 5.851 1.00 24.15 N ATOM 579 NH2 ARG A 33 -2.431 0.313 6.770 1.00 21.22 N ATOM 0 H ARG A 33 -8.682 4.562 7.838 1.00 33.22 H new ATOM 0 HA ARG A 33 -5.919 3.680 8.266 1.00 74.05 H new ATOM 0 HB2 ARG A 33 -6.655 4.929 5.784 1.00 32.02 H new ATOM 0 HB3 ARG A 33 -5.852 6.161 6.737 1.00 32.02 H new ATOM 0 HG2 ARG A 33 -4.149 5.105 5.403 1.00 0.31 H new ATOM 0 HG3 ARG A 33 -3.895 4.565 7.051 1.00 0.31 H new ATOM 0 HD2 ARG A 33 -5.562 2.565 6.103 1.00 21.53 H new ATOM 0 HD3 ARG A 33 -4.697 2.992 4.640 1.00 21.53 H new ATOM 0 HE ARG A 33 -2.641 2.720 6.443 1.00 53.13 H new ATOM 0 HH11 ARG A 33 -5.282 0.602 5.448 1.00 24.15 H new ATOM 0 HH12 ARG A 33 -4.408 -0.855 5.931 1.00 24.15 H new ATOM 0 HH21 ARG A 33 -1.643 0.870 7.100 1.00 21.22 H new ATOM 0 HH22 ARG A 33 -2.402 -0.704 6.841 1.00 21.22 H new ATOM 593 N GLY A 34 -5.602 5.792 9.771 1.00 44.31 N ATOM 594 CA GLY A 34 -5.572 6.825 10.823 1.00 3.45 C ATOM 595 C GLY A 34 -5.628 8.264 10.280 1.00 71.13 C ATOM 596 O GLY A 34 -6.108 9.180 10.959 1.00 63.25 O ATOM 0 H GLY A 34 -4.723 5.287 9.656 1.00 44.31 H new ATOM 0 HA2 GLY A 34 -6.413 6.668 11.498 1.00 3.45 H new ATOM 0 HA3 GLY A 34 -4.663 6.704 11.413 1.00 3.45 H new ATOM 600 N ILE A 35 -5.133 8.453 9.037 1.00 14.35 N ATOM 601 CA ILE A 35 -5.019 9.782 8.386 1.00 55.21 C ATOM 602 C ILE A 35 -5.448 9.740 6.904 1.00 24.04 C ATOM 603 O ILE A 35 -5.362 8.693 6.245 1.00 24.35 O ATOM 604 CB ILE A 35 -3.543 10.333 8.460 1.00 70.11 C ATOM 605 CG1 ILE A 35 -2.544 9.279 7.873 1.00 54.05 C ATOM 606 CG2 ILE A 35 -3.171 10.738 9.900 1.00 44.14 C ATOM 607 CD1 ILE A 35 -1.083 9.679 7.888 1.00 4.32 C ATOM 0 H ILE A 35 -4.799 7.687 8.453 1.00 14.35 H new ATOM 0 HA ILE A 35 -5.690 10.444 8.934 1.00 55.21 H new ATOM 0 HB ILE A 35 -3.476 11.235 7.851 1.00 70.11 H new ATOM 0 HG12 ILE A 35 -2.653 8.351 8.434 1.00 54.05 H new ATOM 0 HG13 ILE A 35 -2.833 9.066 6.844 1.00 54.05 H new ATOM 0 HG21 ILE A 35 -2.148 11.114 9.919 1.00 44.14 H new ATOM 0 HG22 ILE A 35 -3.850 11.517 10.246 1.00 44.14 H new ATOM 0 HG23 ILE A 35 -3.251 9.870 10.554 1.00 44.14 H new ATOM 0 HD11 ILE A 35 -0.482 8.877 7.459 1.00 4.32 H new ATOM 0 HD12 ILE A 35 -0.948 10.587 7.301 1.00 4.32 H new ATOM 0 HD13 ILE A 35 -0.766 9.861 8.915 1.00 4.32 H new ATOM 619 N LEU A 36 -5.885 10.909 6.387 1.00 33.22 N ATOM 620 CA LEU A 36 -6.219 11.094 4.958 1.00 0.52 C ATOM 621 C LEU A 36 -4.945 11.131 4.071 1.00 53.51 C ATOM 622 O LEU A 36 -5.006 10.803 2.886 1.00 0.54 O ATOM 623 CB LEU A 36 -7.077 12.378 4.758 1.00 1.10 C ATOM 624 CG LEU A 36 -7.688 12.597 3.334 1.00 23.02 C ATOM 625 CD1 LEU A 36 -8.648 11.449 2.940 1.00 21.14 C ATOM 626 CD2 LEU A 36 -8.382 13.975 3.227 1.00 1.11 C ATOM 0 H LEU A 36 -6.016 11.750 6.948 1.00 33.22 H new ATOM 0 HA LEU A 36 -6.808 10.233 4.641 1.00 0.52 H new ATOM 0 HB2 LEU A 36 -7.894 12.358 5.480 1.00 1.10 H new ATOM 0 HB3 LEU A 36 -6.459 13.242 5.000 1.00 1.10 H new ATOM 0 HG LEU A 36 -6.863 12.586 2.622 1.00 23.02 H new ATOM 0 HD11 LEU A 36 -9.052 11.638 1.945 1.00 21.14 H new ATOM 0 HD12 LEU A 36 -8.104 10.504 2.938 1.00 21.14 H new ATOM 0 HD13 LEU A 36 -9.465 11.395 3.659 1.00 21.14 H new ATOM 0 HD21 LEU A 36 -8.796 14.097 2.226 1.00 1.11 H new ATOM 0 HD22 LEU A 36 -9.185 14.036 3.962 1.00 1.11 H new ATOM 0 HD23 LEU A 36 -7.655 14.764 3.417 1.00 1.11 H new ATOM 638 N GLU A 37 -3.792 11.512 4.664 1.00 24.33 N ATOM 639 CA GLU A 37 -2.482 11.556 3.950 1.00 63.04 C ATOM 640 C GLU A 37 -2.133 10.189 3.300 1.00 25.35 C ATOM 641 O GLU A 37 -1.889 10.098 2.085 1.00 74.51 O ATOM 642 CB GLU A 37 -1.343 11.980 4.931 1.00 35.42 C ATOM 643 CG GLU A 37 -1.485 13.390 5.533 1.00 15.24 C ATOM 644 CD GLU A 37 -1.559 14.502 4.473 1.00 24.34 C ATOM 645 OE1 GLU A 37 -0.505 14.894 3.930 1.00 70.34 O ATOM 646 OE2 GLU A 37 -2.675 14.983 4.172 1.00 32.20 O ATOM 0 H GLU A 37 -3.735 11.797 5.642 1.00 24.33 H new ATOM 0 HA GLU A 37 -2.570 12.295 3.153 1.00 63.04 H new ATOM 0 HB2 GLU A 37 -1.300 11.257 5.746 1.00 35.42 H new ATOM 0 HB3 GLU A 37 -0.391 11.922 4.403 1.00 35.42 H new ATOM 0 HG2 GLU A 37 -2.383 13.425 6.149 1.00 15.24 H new ATOM 0 HG3 GLU A 37 -0.639 13.582 6.192 1.00 15.24 H new ATOM 653 N THR A 38 -2.141 9.134 4.125 1.00 4.51 N ATOM 654 CA THR A 38 -1.892 7.747 3.676 1.00 72.45 C ATOM 655 C THR A 38 -3.104 7.152 2.930 1.00 61.13 C ATOM 656 O THR A 38 -2.941 6.291 2.073 1.00 63.42 O ATOM 657 CB THR A 38 -1.521 6.831 4.875 1.00 64.41 C ATOM 658 OG1 THR A 38 -0.506 7.469 5.653 1.00 71.32 O ATOM 659 CG2 THR A 38 -1.016 5.446 4.424 1.00 64.13 C ATOM 0 H THR A 38 -2.320 9.212 5.126 1.00 4.51 H new ATOM 0 HA THR A 38 -1.053 7.791 2.982 1.00 72.45 H new ATOM 0 HB THR A 38 -2.425 6.675 5.463 1.00 64.41 H new ATOM 0 HG1 THR A 38 0.166 6.808 5.919 1.00 71.32 H new ATOM 0 HG21 THR A 38 -0.770 4.845 5.300 1.00 64.13 H new ATOM 0 HG22 THR A 38 -1.794 4.945 3.847 1.00 64.13 H new ATOM 0 HG23 THR A 38 -0.126 5.567 3.806 1.00 64.13 H new ATOM 667 N ASP A 39 -4.320 7.591 3.301 1.00 65.31 N ATOM 668 CA ASP A 39 -5.578 7.121 2.669 1.00 50.14 C ATOM 669 C ASP A 39 -5.605 7.440 1.145 1.00 64.24 C ATOM 670 O ASP A 39 -5.869 6.563 0.335 1.00 14.21 O ATOM 671 CB ASP A 39 -6.784 7.757 3.395 1.00 0.24 C ATOM 672 CG ASP A 39 -8.145 7.307 2.845 1.00 34.45 C ATOM 673 OD1 ASP A 39 -8.671 6.272 3.300 1.00 45.43 O ATOM 674 OD2 ASP A 39 -8.703 7.994 1.962 1.00 21.13 O ATOM 0 H ASP A 39 -4.464 8.277 4.042 1.00 65.31 H new ATOM 0 HA ASP A 39 -5.636 6.037 2.765 1.00 50.14 H new ATOM 0 HB2 ASP A 39 -6.731 7.509 4.455 1.00 0.24 H new ATOM 0 HB3 ASP A 39 -6.712 8.842 3.318 1.00 0.24 H new ATOM 679 N LEU A 40 -5.307 8.704 0.784 1.00 41.44 N ATOM 680 CA LEU A 40 -5.196 9.156 -0.634 1.00 12.00 C ATOM 681 C LEU A 40 -4.070 8.397 -1.385 1.00 54.13 C ATOM 682 O LEU A 40 -4.189 8.087 -2.581 1.00 74.43 O ATOM 683 CB LEU A 40 -4.926 10.690 -0.690 1.00 72.34 C ATOM 684 CG LEU A 40 -6.033 11.610 -0.080 1.00 71.35 C ATOM 685 CD1 LEU A 40 -5.632 13.102 -0.132 1.00 21.01 C ATOM 686 CD2 LEU A 40 -7.394 11.369 -0.764 1.00 11.22 C ATOM 0 H LEU A 40 -5.135 9.447 1.461 1.00 41.44 H new ATOM 0 HA LEU A 40 -6.142 8.935 -1.128 1.00 12.00 H new ATOM 0 HB2 LEU A 40 -3.989 10.892 -0.171 1.00 72.34 H new ATOM 0 HB3 LEU A 40 -4.781 10.974 -1.732 1.00 72.34 H new ATOM 0 HG LEU A 40 -6.136 11.343 0.972 1.00 71.35 H new ATOM 0 HD11 LEU A 40 -6.428 13.708 0.301 1.00 21.01 H new ATOM 0 HD12 LEU A 40 -4.713 13.252 0.434 1.00 21.01 H new ATOM 0 HD13 LEU A 40 -5.472 13.400 -1.168 1.00 21.01 H new ATOM 0 HD21 LEU A 40 -8.145 12.022 -0.320 1.00 11.22 H new ATOM 0 HD22 LEU A 40 -7.309 11.585 -1.829 1.00 11.22 H new ATOM 0 HD23 LEU A 40 -7.691 10.329 -0.627 1.00 11.22 H new ATOM 698 N LEU A 41 -2.982 8.120 -0.653 1.00 12.41 N ATOM 699 CA LEU A 41 -1.813 7.377 -1.166 1.00 55.45 C ATOM 700 C LEU A 41 -2.184 5.913 -1.543 1.00 0.22 C ATOM 701 O LEU A 41 -1.992 5.492 -2.675 1.00 20.30 O ATOM 702 CB LEU A 41 -0.689 7.399 -0.095 1.00 4.54 C ATOM 703 CG LEU A 41 0.668 6.739 -0.491 1.00 53.42 C ATOM 704 CD1 LEU A 41 1.383 7.521 -1.619 1.00 4.33 C ATOM 705 CD2 LEU A 41 1.574 6.566 0.747 1.00 4.11 C ATOM 0 H LEU A 41 -2.884 8.406 0.321 1.00 12.41 H new ATOM 0 HA LEU A 41 -1.462 7.862 -2.077 1.00 55.45 H new ATOM 0 HB2 LEU A 41 -0.497 8.437 0.175 1.00 4.54 H new ATOM 0 HB3 LEU A 41 -1.062 6.901 0.800 1.00 4.54 H new ATOM 0 HG LEU A 41 0.451 5.747 -0.888 1.00 53.42 H new ATOM 0 HD11 LEU A 41 2.324 7.028 -1.864 1.00 4.33 H new ATOM 0 HD12 LEU A 41 0.746 7.548 -2.503 1.00 4.33 H new ATOM 0 HD13 LEU A 41 1.584 8.539 -1.285 1.00 4.33 H new ATOM 0 HD21 LEU A 41 2.515 6.104 0.448 1.00 4.11 H new ATOM 0 HD22 LEU A 41 1.774 7.541 1.191 1.00 4.11 H new ATOM 0 HD23 LEU A 41 1.074 5.930 1.478 1.00 4.11 H new ATOM 717 N LEU A 42 -2.752 5.166 -0.584 1.00 51.42 N ATOM 718 CA LEU A 42 -3.079 3.730 -0.748 1.00 34.42 C ATOM 719 C LEU A 42 -4.320 3.487 -1.630 1.00 14.23 C ATOM 720 O LEU A 42 -4.353 2.516 -2.370 1.00 65.12 O ATOM 721 CB LEU A 42 -3.268 3.053 0.634 1.00 3.40 C ATOM 722 CG LEU A 42 -1.972 2.889 1.488 1.00 3.12 C ATOM 723 CD1 LEU A 42 -2.275 2.209 2.838 1.00 32.42 C ATOM 724 CD2 LEU A 42 -0.879 2.119 0.705 1.00 43.52 C ATOM 0 H LEU A 42 -3.001 5.537 0.333 1.00 51.42 H new ATOM 0 HA LEU A 42 -2.231 3.280 -1.264 1.00 34.42 H new ATOM 0 HB2 LEU A 42 -3.989 3.635 1.208 1.00 3.40 H new ATOM 0 HB3 LEU A 42 -3.706 2.067 0.479 1.00 3.40 H new ATOM 0 HG LEU A 42 -1.587 3.887 1.700 1.00 3.12 H new ATOM 0 HD11 LEU A 42 -1.353 2.109 3.410 1.00 32.42 H new ATOM 0 HD12 LEU A 42 -2.986 2.815 3.399 1.00 32.42 H new ATOM 0 HD13 LEU A 42 -2.701 1.221 2.660 1.00 32.42 H new ATOM 0 HD21 LEU A 42 0.012 2.020 1.325 1.00 43.52 H new ATOM 0 HD22 LEU A 42 -1.250 1.128 0.442 1.00 43.52 H new ATOM 0 HD23 LEU A 42 -0.629 2.666 -0.204 1.00 43.52 H new ATOM 736 N SER A 43 -5.337 4.357 -1.529 1.00 14.40 N ATOM 737 CA SER A 43 -6.587 4.234 -2.332 1.00 24.31 C ATOM 738 C SER A 43 -6.322 4.493 -3.832 1.00 70.31 C ATOM 739 O SER A 43 -6.866 3.793 -4.696 1.00 52.23 O ATOM 740 CB SER A 43 -7.682 5.188 -1.802 1.00 1.35 C ATOM 741 OG SER A 43 -8.101 4.819 -0.495 1.00 34.43 O ATOM 0 H SER A 43 -5.328 5.160 -0.900 1.00 14.40 H new ATOM 0 HA SER A 43 -6.943 3.209 -2.226 1.00 24.31 H new ATOM 0 HB2 SER A 43 -7.302 6.210 -1.789 1.00 1.35 H new ATOM 0 HB3 SER A 43 -8.537 5.174 -2.478 1.00 1.35 H new ATOM 0 HG SER A 43 -7.535 5.267 0.168 1.00 34.43 H new ATOM 747 N GLY A 44 -5.472 5.497 -4.126 1.00 54.24 N ATOM 748 CA GLY A 44 -5.002 5.751 -5.500 1.00 65.01 C ATOM 749 C GLY A 44 -4.091 4.633 -6.027 1.00 44.12 C ATOM 750 O GLY A 44 -4.206 4.206 -7.181 1.00 54.13 O ATOM 0 H GLY A 44 -5.098 6.143 -3.431 1.00 54.24 H new ATOM 0 HA2 GLY A 44 -5.862 5.856 -6.161 1.00 65.01 H new ATOM 0 HA3 GLY A 44 -4.462 6.698 -5.527 1.00 65.01 H new ATOM 754 N PHE A 45 -3.185 4.162 -5.146 1.00 64.30 N ATOM 755 CA PHE A 45 -2.278 3.020 -5.416 1.00 41.03 C ATOM 756 C PHE A 45 -3.093 1.725 -5.673 1.00 74.43 C ATOM 757 O PHE A 45 -2.697 0.874 -6.463 1.00 12.32 O ATOM 758 CB PHE A 45 -1.315 2.833 -4.206 1.00 30.32 C ATOM 759 CG PHE A 45 -0.146 1.873 -4.434 1.00 4.31 C ATOM 760 CD1 PHE A 45 -0.275 0.507 -4.189 1.00 3.31 C ATOM 761 CD2 PHE A 45 1.085 2.340 -4.896 1.00 4.33 C ATOM 762 CE1 PHE A 45 0.780 -0.357 -4.400 1.00 62.22 C ATOM 763 CE2 PHE A 45 2.138 1.470 -5.106 1.00 63.53 C ATOM 764 CZ PHE A 45 1.988 0.125 -4.859 1.00 31.21 C ATOM 0 H PHE A 45 -3.059 4.565 -4.218 1.00 64.30 H new ATOM 0 HA PHE A 45 -1.693 3.229 -6.311 1.00 41.03 H new ATOM 0 HB2 PHE A 45 -0.913 3.808 -3.931 1.00 30.32 H new ATOM 0 HB3 PHE A 45 -1.895 2.475 -3.355 1.00 30.32 H new ATOM 0 HD1 PHE A 45 -1.216 0.118 -3.828 1.00 3.31 H new ATOM 0 HD2 PHE A 45 1.216 3.394 -5.092 1.00 4.33 H new ATOM 0 HE1 PHE A 45 0.660 -1.412 -4.205 1.00 62.22 H new ATOM 0 HE2 PHE A 45 3.084 1.848 -5.466 1.00 63.53 H new ATOM 0 HZ PHE A 45 2.814 -0.551 -5.024 1.00 31.21 H new ATOM 774 N ALA A 46 -4.236 1.603 -4.986 1.00 43.21 N ATOM 775 CA ALA A 46 -5.135 0.444 -5.106 1.00 54.33 C ATOM 776 C ALA A 46 -5.899 0.445 -6.447 1.00 61.04 C ATOM 777 O ALA A 46 -6.051 -0.596 -7.097 1.00 4.52 O ATOM 778 CB ALA A 46 -6.106 0.399 -3.918 1.00 22.13 C ATOM 0 H ALA A 46 -4.566 2.308 -4.327 1.00 43.21 H new ATOM 0 HA ALA A 46 -4.522 -0.457 -5.090 1.00 54.33 H new ATOM 0 HB1 ALA A 46 -6.765 -0.463 -4.019 1.00 22.13 H new ATOM 0 HB2 ALA A 46 -5.541 0.317 -2.989 1.00 22.13 H new ATOM 0 HB3 ALA A 46 -6.702 1.311 -3.900 1.00 22.13 H new ATOM 784 N ALA A 47 -6.363 1.637 -6.851 1.00 12.12 N ATOM 785 CA ALA A 47 -7.107 1.831 -8.116 1.00 44.44 C ATOM 786 C ALA A 47 -6.184 1.798 -9.359 1.00 43.53 C ATOM 787 O ALA A 47 -6.655 1.618 -10.485 1.00 44.23 O ATOM 788 CB ALA A 47 -7.877 3.156 -8.060 1.00 34.03 C ATOM 0 H ALA A 47 -6.236 2.495 -6.315 1.00 12.12 H new ATOM 0 HA ALA A 47 -7.804 0.999 -8.219 1.00 44.44 H new ATOM 0 HB1 ALA A 47 -8.425 3.298 -8.992 1.00 34.03 H new ATOM 0 HB2 ALA A 47 -8.579 3.134 -7.226 1.00 34.03 H new ATOM 0 HB3 ALA A 47 -7.176 3.979 -7.922 1.00 34.03 H new ATOM 794 N LYS A 48 -4.879 2.029 -9.153 1.00 42.24 N ATOM 795 CA LYS A 48 -3.881 1.979 -10.242 1.00 25.05 C ATOM 796 C LYS A 48 -3.190 0.586 -10.362 1.00 4.20 C ATOM 797 O LYS A 48 -3.257 -0.069 -11.407 1.00 20.23 O ATOM 798 CB LYS A 48 -2.830 3.096 -10.002 1.00 43.32 C ATOM 799 CG LYS A 48 -1.724 3.192 -11.075 1.00 4.13 C ATOM 800 CD LYS A 48 -0.752 4.369 -10.832 1.00 12.43 C ATOM 801 CE LYS A 48 -1.424 5.746 -10.961 1.00 33.02 C ATOM 802 NZ LYS A 48 -1.988 5.982 -12.315 1.00 15.12 N ATOM 0 H LYS A 48 -4.485 2.254 -8.239 1.00 42.24 H new ATOM 0 HA LYS A 48 -4.398 2.141 -11.188 1.00 25.05 H new ATOM 0 HB2 LYS A 48 -3.346 4.054 -9.947 1.00 43.32 H new ATOM 0 HB3 LYS A 48 -2.361 2.931 -9.032 1.00 43.32 H new ATOM 0 HG2 LYS A 48 -1.160 2.259 -11.093 1.00 4.13 H new ATOM 0 HG3 LYS A 48 -2.185 3.305 -12.056 1.00 4.13 H new ATOM 0 HD2 LYS A 48 -0.319 4.275 -9.836 1.00 12.43 H new ATOM 0 HD3 LYS A 48 0.071 4.305 -11.544 1.00 12.43 H new ATOM 0 HE2 LYS A 48 -2.220 5.829 -10.221 1.00 33.02 H new ATOM 0 HE3 LYS A 48 -0.695 6.524 -10.734 1.00 33.02 H new ATOM 0 HZ1 LYS A 48 -2.307 6.969 -12.391 1.00 15.12 H new ATOM 0 HZ2 LYS A 48 -1.258 5.798 -13.032 1.00 15.12 H new ATOM 0 HZ3 LYS A 48 -2.795 5.344 -12.471 1.00 15.12 H new ATOM 816 N TYR A 49 -2.551 0.131 -9.271 1.00 73.54 N ATOM 817 CA TYR A 49 -1.619 -1.026 -9.300 1.00 60.45 C ATOM 818 C TYR A 49 -2.315 -2.411 -9.223 1.00 2.20 C ATOM 819 O TYR A 49 -1.899 -3.326 -9.931 1.00 71.11 O ATOM 820 CB TYR A 49 -0.553 -0.884 -8.185 1.00 44.30 C ATOM 821 CG TYR A 49 0.490 0.224 -8.444 1.00 70.14 C ATOM 822 CD1 TYR A 49 0.190 1.572 -8.235 1.00 32.34 C ATOM 823 CD2 TYR A 49 1.783 -0.086 -8.887 1.00 41.03 C ATOM 824 CE1 TYR A 49 1.134 2.563 -8.450 1.00 52.13 C ATOM 825 CE2 TYR A 49 2.721 0.906 -9.108 1.00 5.43 C ATOM 826 CZ TYR A 49 2.395 2.224 -8.886 1.00 75.42 C ATOM 827 OH TYR A 49 3.337 3.206 -9.093 1.00 52.54 O ATOM 0 H TYR A 49 -2.660 0.547 -8.346 1.00 73.54 H new ATOM 0 HA TYR A 49 -1.139 -0.999 -10.278 1.00 60.45 H new ATOM 0 HB2 TYR A 49 -1.057 -0.680 -7.240 1.00 44.30 H new ATOM 0 HB3 TYR A 49 -0.034 -1.836 -8.070 1.00 44.30 H new ATOM 0 HD1 TYR A 49 -0.799 1.848 -7.899 1.00 32.34 H new ATOM 0 HD2 TYR A 49 2.052 -1.118 -9.059 1.00 41.03 H new ATOM 0 HE1 TYR A 49 0.881 3.599 -8.276 1.00 52.13 H new ATOM 0 HE2 TYR A 49 3.710 0.646 -9.455 1.00 5.43 H new ATOM 0 HH TYR A 49 3.872 3.322 -8.280 1.00 52.54 H new ATOM 837 N LEU A 50 -3.367 -2.570 -8.377 1.00 0.13 N ATOM 838 CA LEU A 50 -4.058 -3.901 -8.192 1.00 25.12 C ATOM 839 C LEU A 50 -4.616 -4.500 -9.512 1.00 51.31 C ATOM 840 O LEU A 50 -4.845 -5.713 -9.607 1.00 23.42 O ATOM 841 CB LEU A 50 -5.183 -3.842 -7.114 1.00 21.22 C ATOM 842 CG LEU A 50 -4.727 -4.091 -5.638 1.00 60.22 C ATOM 843 CD1 LEU A 50 -3.988 -2.893 -5.040 1.00 14.34 C ATOM 844 CD2 LEU A 50 -5.905 -4.511 -4.748 1.00 4.31 C ATOM 0 H LEU A 50 -3.760 -1.815 -7.815 1.00 0.13 H new ATOM 0 HA LEU A 50 -3.274 -4.571 -7.839 1.00 25.12 H new ATOM 0 HB2 LEU A 50 -5.659 -2.863 -7.167 1.00 21.22 H new ATOM 0 HB3 LEU A 50 -5.943 -4.581 -7.369 1.00 21.22 H new ATOM 0 HG LEU A 50 -4.016 -4.917 -5.672 1.00 60.22 H new ATOM 0 HD11 LEU A 50 -3.695 -3.121 -4.015 1.00 14.34 H new ATOM 0 HD12 LEU A 50 -3.098 -2.681 -5.633 1.00 14.34 H new ATOM 0 HD13 LEU A 50 -4.643 -2.022 -5.045 1.00 14.34 H new ATOM 0 HD21 LEU A 50 -5.551 -4.675 -3.730 1.00 4.31 H new ATOM 0 HD22 LEU A 50 -6.659 -3.724 -4.747 1.00 4.31 H new ATOM 0 HD23 LEU A 50 -6.342 -5.432 -5.134 1.00 4.31 H new ATOM 856 N LYS A 51 -4.842 -3.636 -10.506 1.00 54.34 N ATOM 857 CA LYS A 51 -5.276 -4.033 -11.865 1.00 0.30 C ATOM 858 C LYS A 51 -4.204 -4.922 -12.558 1.00 63.40 C ATOM 859 O LYS A 51 -4.529 -5.914 -13.218 1.00 0.34 O ATOM 860 CB LYS A 51 -5.571 -2.755 -12.719 1.00 10.32 C ATOM 861 CG LYS A 51 -6.926 -2.041 -12.427 1.00 4.32 C ATOM 862 CD LYS A 51 -7.139 -1.651 -10.941 1.00 5.22 C ATOM 863 CE LYS A 51 -8.484 -0.946 -10.692 1.00 51.31 C ATOM 864 NZ LYS A 51 -9.649 -1.772 -11.099 1.00 24.24 N ATOM 0 H LYS A 51 -4.730 -2.628 -10.397 1.00 54.34 H new ATOM 0 HA LYS A 51 -6.189 -4.623 -11.781 1.00 0.30 H new ATOM 0 HB2 LYS A 51 -4.764 -2.040 -12.559 1.00 10.32 H new ATOM 0 HB3 LYS A 51 -5.548 -3.032 -13.773 1.00 10.32 H new ATOM 0 HG2 LYS A 51 -6.987 -1.141 -13.038 1.00 4.32 H new ATOM 0 HG3 LYS A 51 -7.741 -2.694 -12.739 1.00 4.32 H new ATOM 0 HD2 LYS A 51 -7.086 -2.548 -10.324 1.00 5.22 H new ATOM 0 HD3 LYS A 51 -6.327 -0.997 -10.623 1.00 5.22 H new ATOM 0 HE2 LYS A 51 -8.570 -0.701 -9.634 1.00 51.31 H new ATOM 0 HE3 LYS A 51 -8.503 -0.004 -11.240 1.00 51.31 H new ATOM 0 HZ1 LYS A 51 -10.527 -1.311 -10.787 1.00 24.24 H new ATOM 0 HZ2 LYS A 51 -9.659 -1.872 -12.134 1.00 24.24 H new ATOM 0 HZ3 LYS A 51 -9.578 -2.713 -10.661 1.00 24.24 H new ATOM 878 N LYS A 52 -2.926 -4.550 -12.377 1.00 52.20 N ATOM 879 CA LYS A 52 -1.764 -5.208 -13.033 1.00 62.04 C ATOM 880 C LYS A 52 -0.954 -6.119 -12.055 1.00 72.11 C ATOM 881 O LYS A 52 -0.070 -6.868 -12.491 1.00 20.42 O ATOM 882 CB LYS A 52 -0.833 -4.101 -13.607 1.00 33.24 C ATOM 883 CG LYS A 52 -1.551 -3.068 -14.515 1.00 50.11 C ATOM 884 CD LYS A 52 -0.611 -1.950 -15.024 1.00 52.33 C ATOM 885 CE LYS A 52 -0.020 -1.091 -13.891 1.00 1.41 C ATOM 886 NZ LYS A 52 -1.062 -0.336 -13.135 1.00 54.24 N ATOM 0 H LYS A 52 -2.659 -3.777 -11.767 1.00 52.20 H new ATOM 0 HA LYS A 52 -2.144 -5.855 -13.824 1.00 62.04 H new ATOM 0 HB2 LYS A 52 -0.363 -3.573 -12.778 1.00 33.24 H new ATOM 0 HB3 LYS A 52 -0.034 -4.575 -14.177 1.00 33.24 H new ATOM 0 HG2 LYS A 52 -1.986 -3.585 -15.370 1.00 50.11 H new ATOM 0 HG3 LYS A 52 -2.375 -2.618 -13.962 1.00 50.11 H new ATOM 0 HD2 LYS A 52 0.203 -2.400 -15.593 1.00 52.33 H new ATOM 0 HD3 LYS A 52 -1.161 -1.306 -15.710 1.00 52.33 H new ATOM 0 HE2 LYS A 52 0.528 -1.734 -13.202 1.00 1.41 H new ATOM 0 HE3 LYS A 52 0.699 -0.388 -14.311 1.00 1.41 H new ATOM 0 HZ1 LYS A 52 -0.603 0.338 -12.489 1.00 54.24 H new ATOM 0 HZ2 LYS A 52 -1.668 0.182 -13.803 1.00 54.24 H new ATOM 0 HZ3 LYS A 52 -1.642 -1.001 -12.585 1.00 54.24 H new ATOM 900 N MET A 53 -1.255 -6.029 -10.746 1.00 54.04 N ATOM 901 CA MET A 53 -0.494 -6.691 -9.670 1.00 74.33 C ATOM 902 C MET A 53 -0.764 -8.226 -9.600 1.00 61.24 C ATOM 903 O MET A 53 -1.893 -8.680 -9.839 1.00 40.33 O ATOM 904 CB MET A 53 -0.874 -5.995 -8.332 1.00 71.21 C ATOM 905 CG MET A 53 -0.015 -6.395 -7.147 1.00 22.35 C ATOM 906 SD MET A 53 -0.491 -5.620 -5.581 1.00 45.15 S ATOM 907 CE MET A 53 -0.232 -3.879 -5.907 1.00 24.33 C ATOM 0 H MET A 53 -2.046 -5.486 -10.401 1.00 54.04 H new ATOM 0 HA MET A 53 0.573 -6.591 -9.871 1.00 74.33 H new ATOM 0 HB2 MET A 53 -0.805 -4.916 -8.466 1.00 71.21 H new ATOM 0 HB3 MET A 53 -1.915 -6.222 -8.102 1.00 71.21 H new ATOM 0 HG2 MET A 53 -0.060 -7.478 -7.031 1.00 22.35 H new ATOM 0 HG3 MET A 53 1.022 -6.140 -7.364 1.00 22.35 H new ATOM 0 HE1 MET A 53 -0.282 -3.322 -4.971 1.00 24.33 H new ATOM 0 HE2 MET A 53 0.748 -3.736 -6.363 1.00 24.33 H new ATOM 0 HE3 MET A 53 -1.004 -3.517 -6.586 1.00 24.33 H new ATOM 917 N ASN A 54 0.292 -9.013 -9.287 1.00 15.40 N ATOM 918 CA ASN A 54 0.203 -10.497 -9.166 1.00 24.21 C ATOM 919 C ASN A 54 -0.431 -10.941 -7.825 1.00 74.11 C ATOM 920 O ASN A 54 -0.405 -10.201 -6.851 1.00 32.21 O ATOM 921 CB ASN A 54 1.612 -11.138 -9.299 1.00 61.53 C ATOM 922 CG ASN A 54 2.259 -10.934 -10.671 1.00 4.20 C ATOM 923 OD1 ASN A 54 1.579 -10.865 -11.691 1.00 54.02 O ATOM 924 ND2 ASN A 54 3.576 -10.830 -10.708 1.00 33.34 N ATOM 0 H ASN A 54 1.227 -8.645 -9.111 1.00 15.40 H new ATOM 0 HA ASN A 54 -0.442 -10.839 -9.975 1.00 24.21 H new ATOM 0 HB2 ASN A 54 2.265 -10.718 -8.534 1.00 61.53 H new ATOM 0 HB3 ASN A 54 1.534 -12.207 -9.100 1.00 61.53 H new ATOM 0 HD21 ASN A 54 4.052 -10.689 -11.599 1.00 33.34 H new ATOM 0 HD22 ASN A 54 4.117 -10.891 -9.845 1.00 33.34 H new ATOM 931 N GLU A 55 -0.955 -12.181 -7.805 1.00 53.13 N ATOM 932 CA GLU A 55 -1.612 -12.813 -6.628 1.00 2.13 C ATOM 933 C GLU A 55 -0.745 -12.724 -5.342 1.00 52.40 C ATOM 934 O GLU A 55 -1.222 -12.332 -4.269 1.00 52.15 O ATOM 935 CB GLU A 55 -1.918 -14.318 -6.920 1.00 22.24 C ATOM 936 CG GLU A 55 -2.611 -14.639 -8.275 1.00 5.03 C ATOM 937 CD GLU A 55 -1.636 -14.780 -9.464 1.00 45.31 C ATOM 938 OE1 GLU A 55 -0.964 -15.832 -9.564 1.00 5.55 O ATOM 939 OE2 GLU A 55 -1.514 -13.838 -10.284 1.00 24.43 O ATOM 0 H GLU A 55 -0.937 -12.792 -8.622 1.00 53.13 H new ATOM 0 HA GLU A 55 -2.536 -12.260 -6.456 1.00 2.13 H new ATOM 0 HB2 GLU A 55 -0.979 -14.871 -6.878 1.00 22.24 H new ATOM 0 HB3 GLU A 55 -2.548 -14.699 -6.117 1.00 22.24 H new ATOM 0 HG2 GLU A 55 -3.177 -15.565 -8.171 1.00 5.03 H new ATOM 0 HG3 GLU A 55 -3.329 -13.850 -8.499 1.00 5.03 H new ATOM 946 N GLU A 56 0.525 -13.121 -5.491 1.00 41.04 N ATOM 947 CA GLU A 56 1.548 -13.065 -4.419 1.00 41.01 C ATOM 948 C GLU A 56 1.839 -11.609 -3.953 1.00 34.15 C ATOM 949 O GLU A 56 1.969 -11.345 -2.753 1.00 12.33 O ATOM 950 CB GLU A 56 2.845 -13.760 -4.917 1.00 14.13 C ATOM 951 CG GLU A 56 3.347 -13.282 -6.304 1.00 11.04 C ATOM 952 CD GLU A 56 4.618 -14.003 -6.778 1.00 61.24 C ATOM 953 OE1 GLU A 56 4.530 -15.196 -7.154 1.00 22.43 O ATOM 954 OE2 GLU A 56 5.702 -13.386 -6.788 1.00 24.25 O ATOM 0 H GLU A 56 0.884 -13.497 -6.369 1.00 41.04 H new ATOM 0 HA GLU A 56 1.159 -13.592 -3.548 1.00 41.01 H new ATOM 0 HB2 GLU A 56 3.634 -13.594 -4.184 1.00 14.13 H new ATOM 0 HB3 GLU A 56 2.671 -14.835 -4.960 1.00 14.13 H new ATOM 0 HG2 GLU A 56 2.557 -13.434 -7.040 1.00 11.04 H new ATOM 0 HG3 GLU A 56 3.541 -12.210 -6.262 1.00 11.04 H new ATOM 961 N GLU A 57 1.926 -10.675 -4.922 1.00 54.55 N ATOM 962 CA GLU A 57 2.175 -9.237 -4.653 1.00 21.44 C ATOM 963 C GLU A 57 0.968 -8.571 -3.944 1.00 25.30 C ATOM 964 O GLU A 57 1.136 -7.584 -3.234 1.00 41.05 O ATOM 965 CB GLU A 57 2.496 -8.474 -5.960 1.00 45.12 C ATOM 966 CG GLU A 57 3.736 -8.946 -6.733 1.00 63.23 C ATOM 967 CD GLU A 57 4.014 -8.059 -7.961 1.00 72.22 C ATOM 968 OE1 GLU A 57 3.250 -8.137 -8.949 1.00 71.15 O ATOM 969 OE2 GLU A 57 4.983 -7.270 -7.946 1.00 12.45 O ATOM 0 H GLU A 57 1.826 -10.892 -5.914 1.00 54.55 H new ATOM 0 HA GLU A 57 3.038 -9.183 -3.989 1.00 21.44 H new ATOM 0 HB2 GLU A 57 1.632 -8.547 -6.621 1.00 45.12 H new ATOM 0 HB3 GLU A 57 2.624 -7.419 -5.718 1.00 45.12 H new ATOM 0 HG2 GLU A 57 4.603 -8.935 -6.072 1.00 63.23 H new ATOM 0 HG3 GLU A 57 3.594 -9.978 -7.054 1.00 63.23 H new ATOM 976 N LEU A 58 -0.246 -9.085 -4.210 1.00 1.25 N ATOM 977 CA LEU A 58 -1.486 -8.651 -3.524 1.00 71.12 C ATOM 978 C LEU A 58 -1.419 -8.940 -1.996 1.00 35.44 C ATOM 979 O LEU A 58 -1.898 -8.150 -1.185 1.00 21.33 O ATOM 980 CB LEU A 58 -2.728 -9.346 -4.158 1.00 32.20 C ATOM 981 CG LEU A 58 -3.088 -8.931 -5.624 1.00 43.52 C ATOM 982 CD1 LEU A 58 -4.313 -9.699 -6.149 1.00 0.13 C ATOM 983 CD2 LEU A 58 -3.321 -7.418 -5.744 1.00 74.24 C ATOM 0 H LEU A 58 -0.400 -9.814 -4.907 1.00 1.25 H new ATOM 0 HA LEU A 58 -1.582 -7.573 -3.654 1.00 71.12 H new ATOM 0 HB2 LEU A 58 -2.563 -10.423 -4.139 1.00 32.20 H new ATOM 0 HB3 LEU A 58 -3.592 -9.145 -3.525 1.00 32.20 H new ATOM 0 HG LEU A 58 -2.230 -9.195 -6.242 1.00 43.52 H new ATOM 0 HD11 LEU A 58 -4.531 -9.383 -7.169 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.104 -10.769 -6.137 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.173 -9.490 -5.513 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -3.568 -7.169 -6.776 1.00 74.24 H new ATOM 0 HD22 LEU A 58 -4.144 -7.124 -5.092 1.00 74.24 H new ATOM 0 HD23 LEU A 58 -2.416 -6.886 -5.449 1.00 74.24 H new ATOM 995 N GLU A 59 -0.816 -10.080 -1.622 1.00 54.44 N ATOM 996 CA GLU A 59 -0.580 -10.438 -0.198 1.00 2.41 C ATOM 997 C GLU A 59 0.569 -9.609 0.419 1.00 31.41 C ATOM 998 O GLU A 59 0.607 -9.385 1.638 1.00 63.54 O ATOM 999 CB GLU A 59 -0.301 -11.949 -0.070 1.00 53.30 C ATOM 1000 CG GLU A 59 -1.517 -12.833 -0.398 1.00 64.00 C ATOM 1001 CD GLU A 59 -1.209 -14.334 -0.341 1.00 55.41 C ATOM 1002 OE1 GLU A 59 -1.116 -14.889 0.779 1.00 34.21 O ATOM 1003 OE2 GLU A 59 -1.074 -14.962 -1.415 1.00 42.11 O ATOM 0 H GLU A 59 -0.478 -10.779 -2.284 1.00 54.44 H new ATOM 0 HA GLU A 59 -1.484 -10.199 0.363 1.00 2.41 H new ATOM 0 HB2 GLU A 59 0.520 -12.215 -0.735 1.00 53.30 H new ATOM 0 HB3 GLU A 59 0.029 -12.164 0.946 1.00 53.30 H new ATOM 0 HG2 GLU A 59 -2.321 -12.607 0.303 1.00 64.00 H new ATOM 0 HG3 GLU A 59 -1.882 -12.582 -1.394 1.00 64.00 H new ATOM 1010 N GLU A 60 1.514 -9.182 -0.429 1.00 51.24 N ATOM 1011 CA GLU A 60 2.564 -8.226 -0.034 1.00 41.00 C ATOM 1012 C GLU A 60 1.942 -6.832 0.247 1.00 41.22 C ATOM 1013 O GLU A 60 2.338 -6.138 1.191 1.00 35.10 O ATOM 1014 CB GLU A 60 3.650 -8.142 -1.142 1.00 43.04 C ATOM 1015 CG GLU A 60 4.919 -7.357 -0.755 1.00 41.13 C ATOM 1016 CD GLU A 60 5.672 -7.984 0.434 1.00 43.35 C ATOM 1017 OE1 GLU A 60 6.469 -8.928 0.222 1.00 34.24 O ATOM 1018 OE2 GLU A 60 5.462 -7.553 1.588 1.00 32.44 O ATOM 0 H GLU A 60 1.575 -9.485 -1.401 1.00 51.24 H new ATOM 0 HA GLU A 60 3.039 -8.574 0.883 1.00 41.00 H new ATOM 0 HB2 GLU A 60 3.939 -9.155 -1.423 1.00 43.04 H new ATOM 0 HB3 GLU A 60 3.211 -7.679 -2.026 1.00 43.04 H new ATOM 0 HG2 GLU A 60 5.586 -7.307 -1.616 1.00 41.13 H new ATOM 0 HG3 GLU A 60 4.644 -6.332 -0.505 1.00 41.13 H new ATOM 1025 N TYR A 61 0.954 -6.440 -0.591 1.00 30.30 N ATOM 1026 CA TYR A 61 0.153 -5.214 -0.386 1.00 42.33 C ATOM 1027 C TYR A 61 -0.723 -5.335 0.882 1.00 74.54 C ATOM 1028 O TYR A 61 -0.928 -4.352 1.590 1.00 22.12 O ATOM 1029 CB TYR A 61 -0.714 -4.902 -1.641 1.00 43.20 C ATOM 1030 CG TYR A 61 -1.513 -3.584 -1.542 1.00 72.14 C ATOM 1031 CD1 TYR A 61 -0.853 -2.353 -1.459 1.00 70.21 C ATOM 1032 CD2 TYR A 61 -2.912 -3.568 -1.501 1.00 53.50 C ATOM 1033 CE1 TYR A 61 -1.556 -1.169 -1.343 1.00 64.43 C ATOM 1034 CE2 TYR A 61 -3.616 -2.383 -1.381 1.00 14.25 C ATOM 1035 CZ TYR A 61 -2.936 -1.189 -1.305 1.00 34.11 C ATOM 1036 OH TYR A 61 -3.644 -0.012 -1.180 1.00 2.31 O ATOM 0 H TYR A 61 0.692 -6.964 -1.426 1.00 30.30 H new ATOM 0 HA TYR A 61 0.839 -4.380 -0.239 1.00 42.33 H new ATOM 0 HB2 TYR A 61 -0.065 -4.856 -2.516 1.00 43.20 H new ATOM 0 HB3 TYR A 61 -1.410 -5.725 -1.803 1.00 43.20 H new ATOM 0 HD1 TYR A 61 0.226 -2.328 -1.486 1.00 70.21 H new ATOM 0 HD2 TYR A 61 -3.453 -4.500 -1.564 1.00 53.50 H new ATOM 0 HE1 TYR A 61 -1.027 -0.230 -1.282 1.00 64.43 H new ATOM 0 HE2 TYR A 61 -4.695 -2.395 -1.347 1.00 14.25 H new ATOM 0 HH TYR A 61 -3.475 0.556 -1.961 1.00 2.31 H new ATOM 1046 N ASP A 62 -1.222 -6.556 1.159 1.00 62.14 N ATOM 1047 CA ASP A 62 -1.962 -6.864 2.407 1.00 61.33 C ATOM 1048 C ASP A 62 -1.064 -6.587 3.637 1.00 41.23 C ATOM 1049 O ASP A 62 -1.505 -5.993 4.619 1.00 71.02 O ATOM 1050 CB ASP A 62 -2.444 -8.342 2.393 1.00 22.24 C ATOM 1051 CG ASP A 62 -3.412 -8.693 3.541 1.00 43.13 C ATOM 1052 OD1 ASP A 62 -2.939 -9.031 4.650 1.00 70.34 O ATOM 1053 OD2 ASP A 62 -4.645 -8.663 3.333 1.00 23.42 O ATOM 0 H ASP A 62 -1.126 -7.354 0.531 1.00 62.14 H new ATOM 0 HA ASP A 62 -2.839 -6.220 2.471 1.00 61.33 H new ATOM 0 HB2 ASP A 62 -2.935 -8.545 1.441 1.00 22.24 H new ATOM 0 HB3 ASP A 62 -1.575 -8.998 2.450 1.00 22.24 H new ATOM 1058 N SER A 63 0.211 -7.007 3.540 1.00 3.55 N ATOM 1059 CA SER A 63 1.240 -6.748 4.579 1.00 64.12 C ATOM 1060 C SER A 63 1.452 -5.233 4.805 1.00 3.31 C ATOM 1061 O SER A 63 1.624 -4.788 5.945 1.00 11.24 O ATOM 1062 CB SER A 63 2.576 -7.420 4.193 1.00 14.43 C ATOM 1063 OG SER A 63 2.430 -8.825 4.055 1.00 21.43 O ATOM 0 H SER A 63 0.562 -7.536 2.742 1.00 3.55 H new ATOM 0 HA SER A 63 0.880 -7.179 5.514 1.00 64.12 H new ATOM 0 HB2 SER A 63 2.940 -6.997 3.257 1.00 14.43 H new ATOM 0 HB3 SER A 63 3.326 -7.204 4.953 1.00 14.43 H new ATOM 0 HG SER A 63 1.850 -9.020 3.290 1.00 21.43 H new ATOM 1069 N LEU A 64 1.420 -4.451 3.706 1.00 4.05 N ATOM 1070 CA LEU A 64 1.500 -2.970 3.752 1.00 11.25 C ATOM 1071 C LEU A 64 0.245 -2.363 4.446 1.00 23.31 C ATOM 1072 O LEU A 64 0.331 -1.346 5.133 1.00 25.12 O ATOM 1073 CB LEU A 64 1.664 -2.413 2.309 1.00 11.20 C ATOM 1074 CG LEU A 64 1.965 -0.886 2.177 1.00 40.14 C ATOM 1075 CD1 LEU A 64 3.311 -0.509 2.845 1.00 61.21 C ATOM 1076 CD2 LEU A 64 1.921 -0.432 0.692 1.00 14.33 C ATOM 0 H LEU A 64 1.338 -4.825 2.761 1.00 4.05 H new ATOM 0 HA LEU A 64 2.369 -2.682 4.343 1.00 11.25 H new ATOM 0 HB2 LEU A 64 2.470 -2.962 1.822 1.00 11.20 H new ATOM 0 HB3 LEU A 64 0.751 -2.629 1.755 1.00 11.20 H new ATOM 0 HG LEU A 64 1.180 -0.350 2.711 1.00 40.14 H new ATOM 0 HD11 LEU A 64 3.486 0.561 2.733 1.00 61.21 H new ATOM 0 HD12 LEU A 64 3.275 -0.761 3.905 1.00 61.21 H new ATOM 0 HD13 LEU A 64 4.121 -1.061 2.368 1.00 61.21 H new ATOM 0 HD21 LEU A 64 2.134 0.635 0.631 1.00 14.33 H new ATOM 0 HD22 LEU A 64 2.667 -0.984 0.120 1.00 14.33 H new ATOM 0 HD23 LEU A 64 0.931 -0.628 0.281 1.00 14.33 H new ATOM 1088 N LEU A 65 -0.915 -3.020 4.266 1.00 33.30 N ATOM 1089 CA LEU A 65 -2.184 -2.656 4.943 1.00 14.11 C ATOM 1090 C LEU A 65 -2.171 -3.060 6.444 1.00 60.10 C ATOM 1091 O LEU A 65 -2.944 -2.515 7.240 1.00 24.21 O ATOM 1092 CB LEU A 65 -3.369 -3.325 4.201 1.00 52.40 C ATOM 1093 CG LEU A 65 -3.525 -2.917 2.701 1.00 1.05 C ATOM 1094 CD1 LEU A 65 -4.459 -3.874 1.949 1.00 42.53 C ATOM 1095 CD2 LEU A 65 -3.998 -1.454 2.556 1.00 53.32 C ATOM 0 H LEU A 65 -1.004 -3.824 3.644 1.00 33.30 H new ATOM 0 HA LEU A 65 -2.299 -1.573 4.908 1.00 14.11 H new ATOM 0 HB2 LEU A 65 -3.249 -4.407 4.257 1.00 52.40 H new ATOM 0 HB3 LEU A 65 -4.292 -3.080 4.726 1.00 52.40 H new ATOM 0 HG LEU A 65 -2.538 -2.993 2.246 1.00 1.05 H new ATOM 0 HD11 LEU A 65 -4.543 -3.558 0.909 1.00 42.53 H new ATOM 0 HD12 LEU A 65 -4.054 -4.885 1.990 1.00 42.53 H new ATOM 0 HD13 LEU A 65 -5.445 -3.860 2.413 1.00 42.53 H new ATOM 0 HD21 LEU A 65 -4.095 -1.206 1.499 1.00 53.32 H new ATOM 0 HD22 LEU A 65 -4.964 -1.333 3.047 1.00 53.32 H new ATOM 0 HD23 LEU A 65 -3.270 -0.788 3.019 1.00 53.32 H new ATOM 1107 N ASN A 66 -1.292 -4.022 6.816 1.00 3.43 N ATOM 1108 CA ASN A 66 -1.030 -4.386 8.237 1.00 50.34 C ATOM 1109 C ASN A 66 0.064 -3.475 8.877 1.00 3.20 C ATOM 1110 O ASN A 66 0.393 -3.642 10.060 1.00 73.34 O ATOM 1111 CB ASN A 66 -0.632 -5.888 8.371 1.00 1.14 C ATOM 1112 CG ASN A 66 -1.779 -6.857 8.055 1.00 3.43 C ATOM 1113 OD1 ASN A 66 -2.636 -7.109 8.893 1.00 32.23 O ATOM 1114 ND2 ASN A 66 -1.776 -7.448 6.878 1.00 65.30 N ATOM 0 H ASN A 66 -0.746 -4.566 6.148 1.00 3.43 H new ATOM 0 HA ASN A 66 -1.960 -4.225 8.782 1.00 50.34 H new ATOM 0 HB2 ASN A 66 0.203 -6.095 7.701 1.00 1.14 H new ATOM 0 HB3 ASN A 66 -0.280 -6.073 9.386 1.00 1.14 H new ATOM 0 HD21 ASN A 66 -2.498 -8.131 6.649 1.00 65.30 H new ATOM 0 HD22 ASN A 66 -1.052 -7.222 6.196 1.00 65.30 H new ATOM 1121 N GLU A 67 0.630 -2.527 8.098 1.00 32.53 N ATOM 1122 CA GLU A 67 1.565 -1.492 8.624 1.00 34.11 C ATOM 1123 C GLU A 67 0.803 -0.221 9.077 1.00 34.11 C ATOM 1124 O GLU A 67 -0.330 0.029 8.644 1.00 5.14 O ATOM 1125 CB GLU A 67 2.626 -1.108 7.551 1.00 72.11 C ATOM 1126 CG GLU A 67 3.453 -2.287 6.995 1.00 40.12 C ATOM 1127 CD GLU A 67 4.303 -3.020 8.054 1.00 53.41 C ATOM 1128 OE1 GLU A 67 3.806 -3.981 8.682 1.00 42.22 O ATOM 1129 OE2 GLU A 67 5.482 -2.659 8.250 1.00 41.02 O ATOM 0 H GLU A 67 0.458 -2.452 7.095 1.00 32.53 H new ATOM 0 HA GLU A 67 2.070 -1.922 9.489 1.00 34.11 H new ATOM 0 HB2 GLU A 67 2.119 -0.617 6.721 1.00 72.11 H new ATOM 0 HB3 GLU A 67 3.309 -0.377 7.984 1.00 72.11 H new ATOM 0 HG2 GLU A 67 2.776 -3.003 6.530 1.00 40.12 H new ATOM 0 HG3 GLU A 67 4.112 -1.915 6.210 1.00 40.12 H new ATOM 1136 N LEU A 68 1.447 0.577 9.947 1.00 72.24 N ATOM 1137 CA LEU A 68 0.888 1.842 10.461 1.00 44.31 C ATOM 1138 C LEU A 68 0.947 2.943 9.361 1.00 43.32 C ATOM 1139 O LEU A 68 1.972 3.105 8.695 1.00 2.33 O ATOM 1140 CB LEU A 68 1.677 2.259 11.745 1.00 15.22 C ATOM 1141 CG LEU A 68 0.880 3.013 12.855 1.00 20.22 C ATOM 1142 CD1 LEU A 68 1.715 3.139 14.148 1.00 33.15 C ATOM 1143 CD2 LEU A 68 0.380 4.404 12.392 1.00 21.11 C ATOM 0 H LEU A 68 2.374 0.363 10.315 1.00 72.24 H new ATOM 0 HA LEU A 68 -0.161 1.710 10.727 1.00 44.31 H new ATOM 0 HB2 LEU A 68 2.104 1.359 12.187 1.00 15.22 H new ATOM 0 HB3 LEU A 68 2.511 2.890 11.439 1.00 15.22 H new ATOM 0 HG LEU A 68 -0.004 2.411 13.065 1.00 20.22 H new ATOM 0 HD11 LEU A 68 1.136 3.668 14.905 1.00 33.15 H new ATOM 0 HD12 LEU A 68 1.969 2.145 14.515 1.00 33.15 H new ATOM 0 HD13 LEU A 68 2.630 3.693 13.938 1.00 33.15 H new ATOM 0 HD21 LEU A 68 -0.167 4.883 13.204 1.00 21.11 H new ATOM 0 HD22 LEU A 68 1.233 5.023 12.115 1.00 21.11 H new ATOM 0 HD23 LEU A 68 -0.278 4.286 11.531 1.00 21.11 H new ATOM 1155 N ASP A 69 -0.177 3.670 9.190 1.00 32.45 N ATOM 1156 CA ASP A 69 -0.347 4.735 8.164 1.00 3.42 C ATOM 1157 C ASP A 69 0.846 5.736 8.070 1.00 12.22 C ATOM 1158 O ASP A 69 1.382 5.948 6.971 1.00 3.11 O ATOM 1159 CB ASP A 69 -1.695 5.487 8.383 1.00 60.52 C ATOM 1160 CG ASP A 69 -1.951 5.889 9.842 1.00 25.30 C ATOM 1161 OD1 ASP A 69 -1.496 6.970 10.271 1.00 33.50 O ATOM 1162 OD2 ASP A 69 -2.607 5.112 10.563 1.00 51.24 O ATOM 0 H ASP A 69 -1.008 3.536 9.767 1.00 32.45 H new ATOM 0 HA ASP A 69 -0.365 4.224 7.201 1.00 3.42 H new ATOM 0 HB2 ASP A 69 -1.705 6.383 7.762 1.00 60.52 H new ATOM 0 HB3 ASP A 69 -2.513 4.853 8.042 1.00 60.52 H new ATOM 1167 N TRP A 70 1.252 6.336 9.215 1.00 72.52 N ATOM 1168 CA TRP A 70 2.402 7.286 9.266 1.00 64.10 C ATOM 1169 C TRP A 70 3.679 6.695 8.622 1.00 55.05 C ATOM 1170 O TRP A 70 4.311 7.353 7.786 1.00 40.32 O ATOM 1171 CB TRP A 70 2.701 7.744 10.718 1.00 54.22 C ATOM 1172 CG TRP A 70 1.665 8.677 11.289 1.00 34.23 C ATOM 1173 CD1 TRP A 70 0.849 8.457 12.361 1.00 20.23 C ATOM 1174 CD2 TRP A 70 1.333 9.988 10.796 1.00 35.24 C ATOM 1175 NE1 TRP A 70 0.049 9.549 12.574 1.00 71.11 N ATOM 1176 CE2 TRP A 70 0.319 10.497 11.619 1.00 63.04 C ATOM 1177 CE3 TRP A 70 1.799 10.777 9.734 1.00 65.23 C ATOM 1178 CZ2 TRP A 70 -0.232 11.755 11.424 1.00 3.11 C ATOM 1179 CZ3 TRP A 70 1.244 12.022 9.531 1.00 15.34 C ATOM 1180 CH2 TRP A 70 0.235 12.500 10.371 1.00 52.23 C ATOM 0 H TRP A 70 0.804 6.182 10.118 1.00 72.52 H new ATOM 0 HA TRP A 70 2.104 8.157 8.682 1.00 64.10 H new ATOM 0 HB2 TRP A 70 2.776 6.865 11.358 1.00 54.22 H new ATOM 0 HB3 TRP A 70 3.672 8.238 10.740 1.00 54.22 H new ATOM 0 HD1 TRP A 70 0.836 7.555 12.954 1.00 20.23 H new ATOM 0 HE1 TRP A 70 -0.637 9.642 13.323 1.00 71.11 H new ATOM 0 HE3 TRP A 70 2.582 10.414 9.084 1.00 65.23 H new ATOM 0 HZ2 TRP A 70 -1.002 12.135 12.079 1.00 3.11 H new ATOM 0 HZ3 TRP A 70 1.593 12.635 8.713 1.00 15.34 H new ATOM 0 HH2 TRP A 70 -0.186 13.477 10.187 1.00 52.23 H new ATOM 1191 N ASP A 71 4.009 5.437 8.978 1.00 73.12 N ATOM 1192 CA ASP A 71 5.164 4.709 8.404 1.00 21.13 C ATOM 1193 C ASP A 71 5.064 4.627 6.862 1.00 42.42 C ATOM 1194 O ASP A 71 5.960 5.085 6.157 1.00 23.31 O ATOM 1195 CB ASP A 71 5.252 3.289 9.014 1.00 73.43 C ATOM 1196 CG ASP A 71 5.672 3.299 10.489 1.00 4.12 C ATOM 1197 OD1 ASP A 71 6.893 3.282 10.776 1.00 23.00 O ATOM 1198 OD2 ASP A 71 4.790 3.339 11.370 1.00 3.44 O ATOM 0 H ASP A 71 3.487 4.897 9.668 1.00 73.12 H new ATOM 0 HA ASP A 71 6.071 5.260 8.651 1.00 21.13 H new ATOM 0 HB2 ASP A 71 4.283 2.798 8.920 1.00 73.43 H new ATOM 0 HB3 ASP A 71 5.966 2.697 8.442 1.00 73.43 H new ATOM 1203 N ILE A 72 3.926 4.095 6.375 1.00 22.24 N ATOM 1204 CA ILE A 72 3.638 3.901 4.923 1.00 15.45 C ATOM 1205 C ILE A 72 3.866 5.203 4.103 1.00 44.12 C ATOM 1206 O ILE A 72 4.487 5.186 3.031 1.00 54.24 O ATOM 1207 CB ILE A 72 2.149 3.424 4.728 1.00 53.20 C ATOM 1208 CG1 ILE A 72 1.845 2.146 5.573 1.00 40.20 C ATOM 1209 CG2 ILE A 72 1.807 3.184 3.236 1.00 54.02 C ATOM 1210 CD1 ILE A 72 0.369 1.772 5.643 1.00 60.20 C ATOM 0 H ILE A 72 3.166 3.781 6.978 1.00 22.24 H new ATOM 0 HA ILE A 72 4.329 3.143 4.556 1.00 15.45 H new ATOM 0 HB ILE A 72 1.511 4.231 5.087 1.00 53.20 H new ATOM 0 HG12 ILE A 72 2.400 1.307 5.153 1.00 40.20 H new ATOM 0 HG13 ILE A 72 2.217 2.299 6.586 1.00 40.20 H new ATOM 0 HG21 ILE A 72 0.771 2.856 3.148 1.00 54.02 H new ATOM 0 HG22 ILE A 72 1.943 4.110 2.678 1.00 54.02 H new ATOM 0 HG23 ILE A 72 2.466 2.416 2.831 1.00 54.02 H new ATOM 0 HD11 ILE A 72 0.250 0.874 6.249 1.00 60.20 H new ATOM 0 HD12 ILE A 72 -0.193 2.591 6.093 1.00 60.20 H new ATOM 0 HD13 ILE A 72 -0.007 1.584 4.637 1.00 60.20 H new ATOM 1222 N TYR A 73 3.370 6.328 4.650 1.00 20.52 N ATOM 1223 CA TYR A 73 3.425 7.642 3.981 1.00 30.33 C ATOM 1224 C TYR A 73 4.868 8.203 3.944 1.00 13.54 C ATOM 1225 O TYR A 73 5.311 8.692 2.909 1.00 40.44 O ATOM 1226 CB TYR A 73 2.461 8.637 4.681 1.00 61.45 C ATOM 1227 CG TYR A 73 2.214 9.937 3.894 1.00 51.23 C ATOM 1228 CD1 TYR A 73 1.572 9.901 2.650 1.00 60.44 C ATOM 1229 CD2 TYR A 73 2.618 11.184 4.380 1.00 43.20 C ATOM 1230 CE1 TYR A 73 1.349 11.055 1.923 1.00 71.21 C ATOM 1231 CE2 TYR A 73 2.394 12.343 3.654 1.00 64.35 C ATOM 1232 CZ TYR A 73 1.758 12.274 2.429 1.00 45.40 C ATOM 1233 OH TYR A 73 1.528 13.429 1.709 1.00 3.42 O ATOM 0 H TYR A 73 2.921 6.353 5.566 1.00 20.52 H new ATOM 0 HA TYR A 73 3.104 7.510 2.948 1.00 30.33 H new ATOM 0 HB2 TYR A 73 1.505 8.141 4.850 1.00 61.45 H new ATOM 0 HB3 TYR A 73 2.867 8.890 5.660 1.00 61.45 H new ATOM 0 HD1 TYR A 73 1.245 8.952 2.251 1.00 60.44 H new ATOM 0 HD2 TYR A 73 3.113 11.245 5.338 1.00 43.20 H new ATOM 0 HE1 TYR A 73 0.857 11.004 0.963 1.00 71.21 H new ATOM 0 HE2 TYR A 73 2.715 13.297 4.044 1.00 64.35 H new ATOM 0 HH TYR A 73 1.876 14.199 2.206 1.00 3.42 H new ATOM 1243 N TYR A 74 5.595 8.102 5.073 1.00 73.30 N ATOM 1244 CA TYR A 74 6.975 8.643 5.193 1.00 45.15 C ATOM 1245 C TYR A 74 8.029 7.771 4.473 1.00 1.31 C ATOM 1246 O TYR A 74 9.130 8.245 4.173 1.00 11.40 O ATOM 1247 CB TYR A 74 7.357 8.837 6.679 1.00 33.33 C ATOM 1248 CG TYR A 74 6.578 9.965 7.383 1.00 41.12 C ATOM 1249 CD1 TYR A 74 6.537 11.253 6.842 1.00 43.42 C ATOM 1250 CD2 TYR A 74 5.901 9.750 8.581 1.00 41.41 C ATOM 1251 CE1 TYR A 74 5.855 12.275 7.470 1.00 32.10 C ATOM 1252 CE2 TYR A 74 5.213 10.768 9.209 1.00 70.32 C ATOM 1253 CZ TYR A 74 5.191 12.028 8.652 1.00 54.01 C ATOM 1254 OH TYR A 74 4.506 13.049 9.280 1.00 43.30 O ATOM 0 H TYR A 74 5.254 7.650 5.921 1.00 73.30 H new ATOM 0 HA TYR A 74 6.974 9.611 4.693 1.00 45.15 H new ATOM 0 HB2 TYR A 74 7.185 7.902 7.213 1.00 33.33 H new ATOM 0 HB3 TYR A 74 8.424 9.050 6.745 1.00 33.33 H new ATOM 0 HD1 TYR A 74 7.050 11.453 5.913 1.00 43.42 H new ATOM 0 HD2 TYR A 74 5.915 8.767 9.027 1.00 41.41 H new ATOM 0 HE1 TYR A 74 5.842 13.264 7.037 1.00 32.10 H new ATOM 0 HE2 TYR A 74 4.692 10.577 10.136 1.00 70.32 H new ATOM 0 HH TYR A 74 3.563 12.801 9.374 1.00 43.30 H new ATOM 1264 N TRP A 75 7.700 6.496 4.222 1.00 40.34 N ATOM 1265 CA TRP A 75 8.521 5.624 3.359 1.00 51.24 C ATOM 1266 C TRP A 75 8.381 6.053 1.883 1.00 0.22 C ATOM 1267 O TRP A 75 9.375 6.193 1.164 1.00 64.50 O ATOM 1268 CB TRP A 75 8.105 4.143 3.507 1.00 40.31 C ATOM 1269 CG TRP A 75 8.298 3.528 4.875 1.00 62.41 C ATOM 1270 CD1 TRP A 75 9.195 3.892 5.845 1.00 73.31 C ATOM 1271 CD2 TRP A 75 7.570 2.409 5.408 1.00 3.14 C ATOM 1272 NE1 TRP A 75 9.060 3.075 6.935 1.00 12.11 N ATOM 1273 CE2 TRP A 75 8.069 2.161 6.694 1.00 63.24 C ATOM 1274 CE3 TRP A 75 6.534 1.602 4.918 1.00 44.24 C ATOM 1275 CZ2 TRP A 75 7.578 1.138 7.499 1.00 22.44 C ATOM 1276 CZ3 TRP A 75 6.043 0.592 5.719 1.00 33.00 C ATOM 1277 CH2 TRP A 75 6.565 0.369 7.000 1.00 71.13 C ATOM 0 H TRP A 75 6.870 6.042 4.604 1.00 40.34 H new ATOM 0 HA TRP A 75 9.560 5.726 3.672 1.00 51.24 H new ATOM 0 HB2 TRP A 75 7.053 4.054 3.237 1.00 40.31 H new ATOM 0 HB3 TRP A 75 8.670 3.555 2.784 1.00 40.31 H new ATOM 0 HD1 TRP A 75 9.903 4.703 5.762 1.00 73.31 H new ATOM 0 HE1 TRP A 75 9.611 3.137 7.791 1.00 12.11 H new ATOM 0 HE3 TRP A 75 6.128 1.768 3.931 1.00 44.24 H new ATOM 0 HZ2 TRP A 75 7.983 0.958 8.484 1.00 22.44 H new ATOM 0 HZ3 TRP A 75 5.244 -0.036 5.353 1.00 33.00 H new ATOM 0 HH2 TRP A 75 6.158 -0.427 7.606 1.00 71.13 H new ATOM 1288 N ALA A 76 7.118 6.268 1.470 1.00 33.54 N ATOM 1289 CA ALA A 76 6.761 6.677 0.098 1.00 42.21 C ATOM 1290 C ALA A 76 7.379 8.049 -0.269 1.00 54.02 C ATOM 1291 O ALA A 76 8.032 8.202 -1.310 1.00 51.02 O ATOM 1292 CB ALA A 76 5.235 6.719 -0.038 1.00 52.22 C ATOM 0 H ALA A 76 6.310 6.162 2.084 1.00 33.54 H new ATOM 0 HA ALA A 76 7.170 5.944 -0.598 1.00 42.21 H new ATOM 0 HB1 ALA A 76 4.968 7.021 -1.051 1.00 52.22 H new ATOM 0 HB2 ALA A 76 4.824 5.730 0.166 1.00 52.22 H new ATOM 0 HB3 ALA A 76 4.826 7.436 0.674 1.00 52.22 H new ATOM 1298 N THR A 77 7.189 9.033 0.626 1.00 22.34 N ATOM 1299 CA THR A 77 7.688 10.419 0.442 1.00 52.12 C ATOM 1300 C THR A 77 9.214 10.541 0.696 1.00 43.24 C ATOM 1301 O THR A 77 9.763 11.644 0.607 1.00 0.30 O ATOM 1302 CB THR A 77 6.925 11.426 1.371 1.00 25.35 C ATOM 1303 OG1 THR A 77 7.150 11.092 2.756 1.00 0.12 O ATOM 1304 CG2 THR A 77 5.407 11.439 1.083 1.00 75.44 C ATOM 0 H THR A 77 6.685 8.896 1.502 1.00 22.34 H new ATOM 0 HA THR A 77 7.498 10.671 -0.601 1.00 52.12 H new ATOM 0 HB THR A 77 7.316 12.422 1.162 1.00 25.35 H new ATOM 0 HG1 THR A 77 6.671 11.727 3.328 1.00 0.12 H new ATOM 0 HG21 THR A 77 4.917 12.150 1.748 1.00 75.44 H new ATOM 0 HG22 THR A 77 5.236 11.733 0.048 1.00 75.44 H new ATOM 0 HG23 THR A 77 4.996 10.443 1.250 1.00 75.44 H new ATOM 1312 N LYS A 78 9.882 9.397 1.002 1.00 34.43 N ATOM 1313 CA LYS A 78 11.360 9.297 1.170 1.00 23.45 C ATOM 1314 C LYS A 78 11.872 10.117 2.387 1.00 63.10 C ATOM 1315 O LYS A 78 13.046 10.510 2.444 1.00 13.04 O ATOM 1316 CB LYS A 78 12.100 9.702 -0.144 1.00 14.35 C ATOM 1317 CG LYS A 78 11.682 8.879 -1.384 1.00 11.15 C ATOM 1318 CD LYS A 78 12.387 9.358 -2.674 1.00 74.04 C ATOM 1319 CE LYS A 78 11.884 8.630 -3.931 1.00 1.33 C ATOM 1320 NZ LYS A 78 10.431 8.852 -4.174 1.00 40.24 N ATOM 0 H LYS A 78 9.405 8.506 1.141 1.00 34.43 H new ATOM 0 HA LYS A 78 11.590 8.252 1.379 1.00 23.45 H new ATOM 0 HB2 LYS A 78 11.914 10.758 -0.342 1.00 14.35 H new ATOM 0 HB3 LYS A 78 13.174 9.591 0.007 1.00 14.35 H new ATOM 0 HG2 LYS A 78 11.915 7.828 -1.215 1.00 11.15 H new ATOM 0 HG3 LYS A 78 10.602 8.949 -1.516 1.00 11.15 H new ATOM 0 HD2 LYS A 78 12.229 10.430 -2.793 1.00 74.04 H new ATOM 0 HD3 LYS A 78 13.461 9.203 -2.575 1.00 74.04 H new ATOM 0 HE2 LYS A 78 12.451 8.972 -4.797 1.00 1.33 H new ATOM 0 HE3 LYS A 78 12.073 7.561 -3.829 1.00 1.33 H new ATOM 0 HZ1 LYS A 78 9.959 7.936 -4.314 1.00 40.24 H new ATOM 0 HZ2 LYS A 78 10.012 9.336 -3.355 1.00 40.24 H new ATOM 0 HZ3 LYS A 78 10.307 9.439 -5.024 1.00 40.24 H new ATOM 1334 N ASN A 79 10.975 10.319 3.370 1.00 32.41 N ATOM 1335 CA ASN A 79 11.275 11.027 4.628 1.00 74.31 C ATOM 1336 C ASN A 79 12.312 10.227 5.471 1.00 63.54 C ATOM 1337 O ASN A 79 13.474 10.627 5.572 1.00 45.40 O ATOM 1338 CB ASN A 79 9.948 11.257 5.406 1.00 14.41 C ATOM 1339 CG ASN A 79 10.112 11.953 6.762 1.00 33.34 C ATOM 1340 OD1 ASN A 79 10.319 11.306 7.786 1.00 20.43 O ATOM 1341 ND2 ASN A 79 9.974 13.265 6.785 1.00 54.12 N ATOM 0 H ASN A 79 10.011 9.991 3.312 1.00 32.41 H new ATOM 0 HA ASN A 79 11.723 11.997 4.412 1.00 74.31 H new ATOM 0 HB2 ASN A 79 9.278 11.853 4.786 1.00 14.41 H new ATOM 0 HB3 ASN A 79 9.464 10.293 5.564 1.00 14.41 H new ATOM 0 HD21 ASN A 79 10.038 13.769 7.669 1.00 54.12 H new ATOM 0 HD22 ASN A 79 9.803 13.775 5.918 1.00 54.12 H new ATOM 1348 N PHE A 80 11.858 9.096 6.067 1.00 2.43 N ATOM 1349 CA PHE A 80 12.694 8.174 6.899 1.00 43.42 C ATOM 1350 C PHE A 80 13.248 8.827 8.208 1.00 42.30 C ATOM 1351 O PHE A 80 13.949 8.168 8.985 1.00 21.43 O ATOM 1352 CB PHE A 80 13.858 7.542 6.067 1.00 24.02 C ATOM 1353 CG PHE A 80 13.419 6.835 4.778 1.00 61.30 C ATOM 1354 CD1 PHE A 80 12.474 5.809 4.809 1.00 73.12 C ATOM 1355 CD2 PHE A 80 13.959 7.190 3.538 1.00 54.33 C ATOM 1356 CE1 PHE A 80 12.088 5.164 3.646 1.00 53.44 C ATOM 1357 CE2 PHE A 80 13.567 6.543 2.376 1.00 22.14 C ATOM 1358 CZ PHE A 80 12.631 5.531 2.433 1.00 62.24 C ATOM 0 H PHE A 80 10.889 8.789 5.986 1.00 2.43 H new ATOM 0 HA PHE A 80 12.015 7.382 7.215 1.00 43.42 H new ATOM 0 HB2 PHE A 80 14.569 8.327 5.810 1.00 24.02 H new ATOM 0 HB3 PHE A 80 14.387 6.826 6.695 1.00 24.02 H new ATOM 0 HD1 PHE A 80 12.038 5.514 5.752 1.00 73.12 H new ATOM 0 HD2 PHE A 80 14.693 7.981 3.485 1.00 54.33 H new ATOM 0 HE1 PHE A 80 11.358 4.369 3.689 1.00 53.44 H new ATOM 0 HE2 PHE A 80 13.994 6.831 1.427 1.00 22.14 H new ATOM 0 HZ PHE A 80 12.324 5.027 1.529 1.00 62.24 H new ATOM 1368 N LYS A 81 12.896 10.104 8.456 1.00 12.22 N ATOM 1369 CA LYS A 81 13.397 10.890 9.605 1.00 41.13 C ATOM 1370 C LYS A 81 12.636 10.512 10.898 1.00 24.51 C ATOM 1371 O LYS A 81 13.231 10.073 11.888 1.00 60.15 O ATOM 1372 CB LYS A 81 13.230 12.414 9.318 1.00 61.33 C ATOM 1373 CG LYS A 81 13.845 12.913 7.989 1.00 74.20 C ATOM 1374 CD LYS A 81 15.366 12.657 7.880 1.00 23.24 C ATOM 1375 CE LYS A 81 15.966 13.206 6.571 1.00 72.22 C ATOM 1376 NZ LYS A 81 15.324 12.608 5.369 1.00 43.24 N ATOM 0 H LYS A 81 12.251 10.624 7.861 1.00 12.22 H new ATOM 0 HA LYS A 81 14.454 10.663 9.746 1.00 41.13 H new ATOM 0 HB2 LYS A 81 12.166 12.651 9.317 1.00 61.33 H new ATOM 0 HB3 LYS A 81 13.681 12.972 10.139 1.00 61.33 H new ATOM 0 HG2 LYS A 81 13.341 12.421 7.157 1.00 74.20 H new ATOM 0 HG3 LYS A 81 13.656 13.982 7.889 1.00 74.20 H new ATOM 0 HD2 LYS A 81 15.870 13.119 8.729 1.00 23.24 H new ATOM 0 HD3 LYS A 81 15.556 11.585 7.941 1.00 23.24 H new ATOM 0 HE2 LYS A 81 15.847 14.289 6.544 1.00 72.22 H new ATOM 0 HE3 LYS A 81 17.037 13.002 6.549 1.00 72.22 H new ATOM 0 HZ1 LYS A 81 16.058 12.323 4.689 1.00 43.24 H new ATOM 0 HZ2 LYS A 81 14.770 11.774 5.650 1.00 43.24 H new ATOM 0 HZ3 LYS A 81 14.695 13.308 4.926 1.00 43.24 H new ATOM 1390 N THR A 82 11.302 10.701 10.858 1.00 53.01 N ATOM 1391 CA THR A 82 10.390 10.385 11.987 1.00 70.30 C ATOM 1392 C THR A 82 9.914 8.910 11.948 1.00 1.15 C ATOM 1393 O THR A 82 9.710 8.288 12.999 1.00 23.41 O ATOM 1394 CB THR A 82 9.160 11.361 12.011 1.00 25.04 C ATOM 1395 OG1 THR A 82 8.205 10.969 13.018 1.00 53.12 O ATOM 1396 CG2 THR A 82 8.453 11.460 10.645 1.00 43.44 C ATOM 0 H THR A 82 10.821 11.078 10.042 1.00 53.01 H new ATOM 0 HA THR A 82 10.959 10.525 12.906 1.00 70.30 H new ATOM 0 HB THR A 82 9.561 12.345 12.252 1.00 25.04 H new ATOM 0 HG1 THR A 82 7.450 11.594 13.013 1.00 53.12 H new ATOM 0 HG21 THR A 82 7.611 12.148 10.720 1.00 43.44 H new ATOM 0 HG22 THR A 82 9.156 11.827 9.897 1.00 43.44 H new ATOM 0 HG23 THR A 82 8.092 10.475 10.350 1.00 43.44 H new ATOM 1404 N SER A 83 9.754 8.356 10.733 1.00 0.54 N ATOM 1405 CA SER A 83 9.393 6.926 10.524 1.00 62.22 C ATOM 1406 C SER A 83 10.469 6.222 9.652 1.00 0.45 C ATOM 1407 O SER A 83 10.409 6.296 8.420 1.00 61.40 O ATOM 1408 CB SER A 83 7.987 6.804 9.884 1.00 42.44 C ATOM 1409 OG SER A 83 6.979 7.385 10.710 1.00 52.42 O ATOM 0 H SER A 83 9.869 8.878 9.865 1.00 0.54 H new ATOM 0 HA SER A 83 9.361 6.428 11.493 1.00 62.22 H new ATOM 0 HB2 SER A 83 7.987 7.294 8.910 1.00 42.44 H new ATOM 0 HB3 SER A 83 7.755 5.753 9.712 1.00 42.44 H new ATOM 0 HG SER A 83 6.094 7.154 10.358 1.00 52.42 H new ATOM 1415 N PRO A 84 11.505 5.561 10.293 1.00 53.25 N ATOM 1416 CA PRO A 84 12.614 4.867 9.560 1.00 0.54 C ATOM 1417 C PRO A 84 12.147 3.592 8.809 1.00 22.44 C ATOM 1418 O PRO A 84 11.086 3.040 9.107 1.00 2.33 O ATOM 1419 CB PRO A 84 13.641 4.519 10.687 1.00 34.13 C ATOM 1420 CG PRO A 84 13.204 5.324 11.880 1.00 11.22 C ATOM 1421 CD PRO A 84 11.702 5.447 11.761 1.00 52.10 C ATOM 0 HA PRO A 84 13.030 5.497 8.774 1.00 0.54 H new ATOM 0 HB2 PRO A 84 13.636 3.452 10.909 1.00 34.13 H new ATOM 0 HB3 PRO A 84 14.657 4.778 10.388 1.00 34.13 H new ATOM 0 HG2 PRO A 84 13.484 4.830 12.810 1.00 11.22 H new ATOM 0 HG3 PRO A 84 13.678 6.305 11.885 1.00 11.22 H new ATOM 0 HD2 PRO A 84 11.190 4.578 12.173 1.00 52.10 H new ATOM 0 HD3 PRO A 84 11.323 6.321 12.291 1.00 52.10 H new ATOM 1429 N LEU A 85 12.966 3.121 7.850 1.00 20.34 N ATOM 1430 CA LEU A 85 12.624 1.963 6.995 1.00 41.35 C ATOM 1431 C LEU A 85 13.152 0.624 7.589 1.00 65.04 C ATOM 1432 O LEU A 85 14.356 0.504 7.839 1.00 2.14 O ATOM 1433 CB LEU A 85 13.209 2.178 5.574 1.00 21.31 C ATOM 1434 CG LEU A 85 12.745 1.153 4.497 1.00 52.20 C ATOM 1435 CD1 LEU A 85 11.215 1.209 4.302 1.00 63.20 C ATOM 1436 CD2 LEU A 85 13.486 1.369 3.159 1.00 74.20 C ATOM 0 H LEU A 85 13.879 3.528 7.645 1.00 20.34 H new ATOM 0 HA LEU A 85 11.537 1.893 6.945 1.00 41.35 H new ATOM 0 HB2 LEU A 85 12.941 3.179 5.237 1.00 21.31 H new ATOM 0 HB3 LEU A 85 14.297 2.144 5.639 1.00 21.31 H new ATOM 0 HG LEU A 85 13.000 0.156 4.857 1.00 52.20 H new ATOM 0 HD11 LEU A 85 10.918 0.483 3.545 1.00 63.20 H new ATOM 0 HD12 LEU A 85 10.719 0.974 5.244 1.00 63.20 H new ATOM 0 HD13 LEU A 85 10.926 2.209 3.979 1.00 63.20 H new ATOM 0 HD21 LEU A 85 13.139 0.638 2.429 1.00 74.20 H new ATOM 0 HD22 LEU A 85 13.284 2.374 2.790 1.00 74.20 H new ATOM 0 HD23 LEU A 85 14.558 1.247 3.313 1.00 74.20 H new ATOM 1448 N PRO A 86 12.256 -0.396 7.833 1.00 21.32 N ATOM 1449 CA PRO A 86 12.680 -1.770 8.212 1.00 23.21 C ATOM 1450 C PRO A 86 13.235 -2.586 7.006 1.00 21.25 C ATOM 1451 O PRO A 86 12.930 -2.291 5.840 1.00 34.15 O ATOM 1452 CB PRO A 86 11.374 -2.414 8.785 1.00 35.42 C ATOM 1453 CG PRO A 86 10.374 -1.293 8.872 1.00 64.23 C ATOM 1454 CD PRO A 86 10.781 -0.298 7.809 1.00 72.23 C ATOM 0 HA PRO A 86 13.503 -1.758 8.926 1.00 23.21 H new ATOM 0 HB2 PRO A 86 11.013 -3.212 8.136 1.00 35.42 H new ATOM 0 HB3 PRO A 86 11.553 -2.857 9.765 1.00 35.42 H new ATOM 0 HG2 PRO A 86 9.361 -1.658 8.700 1.00 64.23 H new ATOM 0 HG3 PRO A 86 10.384 -0.835 9.861 1.00 64.23 H new ATOM 0 HD2 PRO A 86 10.372 -0.557 6.832 1.00 72.23 H new ATOM 0 HD3 PRO A 86 10.437 0.710 8.042 1.00 72.23 H new ATOM 1462 N ASP A 87 14.021 -3.641 7.320 1.00 65.33 N ATOM 1463 CA ASP A 87 14.697 -4.513 6.316 1.00 22.43 C ATOM 1464 C ASP A 87 13.690 -5.263 5.396 1.00 52.53 C ATOM 1465 O ASP A 87 14.017 -5.595 4.246 1.00 32.12 O ATOM 1466 CB ASP A 87 15.613 -5.534 7.038 1.00 43.23 C ATOM 1467 CG ASP A 87 16.595 -4.870 8.023 1.00 1.12 C ATOM 1468 OD1 ASP A 87 16.212 -4.642 9.191 1.00 22.10 O ATOM 1469 OD2 ASP A 87 17.737 -4.554 7.629 1.00 71.41 O ATOM 0 H ASP A 87 14.209 -3.918 8.283 1.00 65.33 H new ATOM 0 HA ASP A 87 15.293 -3.863 5.675 1.00 22.43 H new ATOM 0 HB2 ASP A 87 14.994 -6.251 7.578 1.00 43.23 H new ATOM 0 HB3 ASP A 87 16.177 -6.097 6.295 1.00 43.23 H new ATOM 1474 N LYS A 88 12.481 -5.523 5.934 1.00 20.04 N ATOM 1475 CA LYS A 88 11.362 -6.162 5.196 1.00 53.14 C ATOM 1476 C LYS A 88 10.978 -5.380 3.905 1.00 73.20 C ATOM 1477 O LYS A 88 10.740 -5.983 2.852 1.00 55.00 O ATOM 1478 CB LYS A 88 10.129 -6.325 6.142 1.00 25.33 C ATOM 1479 CG LYS A 88 9.658 -5.012 6.810 1.00 44.31 C ATOM 1480 CD LYS A 88 8.500 -5.186 7.827 1.00 4.33 C ATOM 1481 CE LYS A 88 7.208 -5.734 7.195 1.00 60.42 C ATOM 1482 NZ LYS A 88 6.087 -5.770 8.164 1.00 20.35 N ATOM 0 H LYS A 88 12.248 -5.295 6.900 1.00 20.04 H new ATOM 0 HA LYS A 88 11.697 -7.147 4.871 1.00 53.14 H new ATOM 0 HB2 LYS A 88 9.301 -6.745 5.571 1.00 25.33 H new ATOM 0 HB3 LYS A 88 10.377 -7.046 6.921 1.00 25.33 H new ATOM 0 HG2 LYS A 88 10.506 -4.554 7.319 1.00 44.31 H new ATOM 0 HG3 LYS A 88 9.340 -4.317 6.032 1.00 44.31 H new ATOM 0 HD2 LYS A 88 8.822 -5.860 8.621 1.00 4.33 H new ATOM 0 HD3 LYS A 88 8.288 -4.224 8.293 1.00 4.33 H new ATOM 0 HE2 LYS A 88 6.930 -5.114 6.343 1.00 60.42 H new ATOM 0 HE3 LYS A 88 7.389 -6.739 6.813 1.00 60.42 H new ATOM 0 HZ1 LYS A 88 5.203 -5.508 7.682 1.00 20.35 H new ATOM 0 HZ2 LYS A 88 5.997 -6.729 8.555 1.00 20.35 H new ATOM 0 HZ3 LYS A 88 6.273 -5.098 8.935 1.00 20.35 H new ATOM 1496 N TRP A 89 10.951 -4.033 3.991 1.00 40.51 N ATOM 1497 CA TRP A 89 10.576 -3.165 2.845 1.00 14.34 C ATOM 1498 C TRP A 89 11.809 -2.640 2.076 1.00 33.30 C ATOM 1499 O TRP A 89 11.677 -2.224 0.924 1.00 35.53 O ATOM 1500 CB TRP A 89 9.698 -1.981 3.317 1.00 75.31 C ATOM 1501 CG TRP A 89 8.411 -2.405 3.981 1.00 33.40 C ATOM 1502 CD1 TRP A 89 8.067 -2.239 5.289 1.00 54.21 C ATOM 1503 CD2 TRP A 89 7.306 -3.089 3.360 1.00 73.13 C ATOM 1504 NE1 TRP A 89 6.824 -2.767 5.518 1.00 32.54 N ATOM 1505 CE2 TRP A 89 6.337 -3.295 4.354 1.00 51.32 C ATOM 1506 CE3 TRP A 89 7.041 -3.537 2.062 1.00 32.44 C ATOM 1507 CZ2 TRP A 89 5.131 -3.939 4.097 1.00 71.12 C ATOM 1508 CZ3 TRP A 89 5.847 -4.176 1.807 1.00 61.04 C ATOM 1509 CH2 TRP A 89 4.902 -4.371 2.819 1.00 33.13 C ATOM 0 H TRP A 89 11.184 -3.519 4.841 1.00 40.51 H new ATOM 0 HA TRP A 89 10.001 -3.784 2.157 1.00 14.34 H new ATOM 0 HB2 TRP A 89 10.272 -1.370 4.014 1.00 75.31 H new ATOM 0 HB3 TRP A 89 9.463 -1.350 2.460 1.00 75.31 H new ATOM 0 HD1 TRP A 89 8.684 -1.761 6.036 1.00 54.21 H new ATOM 0 HE1 TRP A 89 6.338 -2.767 6.415 1.00 32.54 H new ATOM 0 HE3 TRP A 89 7.761 -3.385 1.272 1.00 32.44 H new ATOM 0 HZ2 TRP A 89 4.401 -4.093 4.878 1.00 71.12 H new ATOM 0 HZ3 TRP A 89 5.638 -4.532 0.809 1.00 61.04 H new ATOM 0 HH2 TRP A 89 3.974 -4.872 2.588 1.00 33.13 H new ATOM 1520 N ALA A 90 12.996 -2.691 2.715 1.00 74.34 N ATOM 1521 CA ALA A 90 14.274 -2.191 2.133 1.00 1.22 C ATOM 1522 C ALA A 90 14.588 -2.798 0.735 1.00 10.03 C ATOM 1523 O ALA A 90 15.142 -2.126 -0.141 1.00 42.10 O ATOM 1524 CB ALA A 90 15.423 -2.479 3.111 1.00 63.34 C ATOM 0 H ALA A 90 13.103 -3.080 3.652 1.00 74.34 H new ATOM 0 HA ALA A 90 14.165 -1.117 1.982 1.00 1.22 H new ATOM 0 HB1 ALA A 90 16.360 -2.115 2.689 1.00 63.34 H new ATOM 0 HB2 ALA A 90 15.231 -1.974 4.057 1.00 63.34 H new ATOM 0 HB3 ALA A 90 15.495 -3.553 3.281 1.00 63.34 H new ATOM 1530 N ASN A 91 14.206 -4.072 0.547 1.00 2.21 N ATOM 1531 CA ASN A 91 14.419 -4.824 -0.717 1.00 61.32 C ATOM 1532 C ASN A 91 13.082 -5.131 -1.461 1.00 60.30 C ATOM 1533 O ASN A 91 13.081 -5.832 -2.480 1.00 23.43 O ATOM 1534 CB ASN A 91 15.204 -6.133 -0.405 1.00 50.23 C ATOM 1535 CG ASN A 91 14.640 -6.925 0.787 1.00 71.15 C ATOM 1536 OD1 ASN A 91 13.449 -6.891 1.078 1.00 44.25 O ATOM 1537 ND2 ASN A 91 15.496 -7.643 1.488 1.00 43.22 N ATOM 0 H ASN A 91 13.737 -4.620 1.268 1.00 2.21 H new ATOM 0 HA ASN A 91 15.003 -4.199 -1.393 1.00 61.32 H new ATOM 0 HB2 ASN A 91 15.196 -6.770 -1.289 1.00 50.23 H new ATOM 0 HB3 ASN A 91 16.245 -5.882 -0.203 1.00 50.23 H new ATOM 0 HD21 ASN A 91 15.172 -8.184 2.289 1.00 43.22 H new ATOM 0 HD22 ASN A 91 16.482 -7.657 1.229 1.00 43.22 H new ATOM 1544 N SER A 92 11.956 -4.591 -0.950 1.00 13.00 N ATOM 1545 CA SER A 92 10.603 -4.798 -1.542 1.00 73.55 C ATOM 1546 C SER A 92 10.357 -3.842 -2.730 1.00 11.54 C ATOM 1547 O SER A 92 10.548 -2.627 -2.608 1.00 23.44 O ATOM 1548 CB SER A 92 9.494 -4.578 -0.482 1.00 73.24 C ATOM 1549 OG SER A 92 8.189 -4.748 -1.035 1.00 33.12 O ATOM 0 H SER A 92 11.951 -4.000 -0.119 1.00 13.00 H new ATOM 0 HA SER A 92 10.566 -5.827 -1.899 1.00 73.55 H new ATOM 0 HB2 SER A 92 9.634 -5.279 0.341 1.00 73.24 H new ATOM 0 HB3 SER A 92 9.584 -3.575 -0.065 1.00 73.24 H new ATOM 0 HG SER A 92 7.516 -4.494 -0.370 1.00 33.12 H new ATOM 1555 N LYS A 93 9.922 -4.404 -3.872 1.00 60.01 N ATOM 1556 CA LYS A 93 9.568 -3.612 -5.070 1.00 41.24 C ATOM 1557 C LYS A 93 8.275 -2.797 -4.839 1.00 34.13 C ATOM 1558 O LYS A 93 8.176 -1.666 -5.304 1.00 41.13 O ATOM 1559 CB LYS A 93 9.402 -4.521 -6.307 1.00 40.25 C ATOM 1560 CG LYS A 93 10.673 -5.298 -6.721 1.00 4.33 C ATOM 1561 CD LYS A 93 10.484 -6.050 -8.061 1.00 50.02 C ATOM 1562 CE LYS A 93 10.238 -5.092 -9.244 1.00 43.22 C ATOM 1563 NZ LYS A 93 9.874 -5.817 -10.486 1.00 21.31 N ATOM 0 H LYS A 93 9.806 -5.410 -3.993 1.00 60.01 H new ATOM 0 HA LYS A 93 10.388 -2.918 -5.254 1.00 41.24 H new ATOM 0 HB2 LYS A 93 8.605 -5.237 -6.109 1.00 40.25 H new ATOM 0 HB3 LYS A 93 9.078 -3.909 -7.149 1.00 40.25 H new ATOM 0 HG2 LYS A 93 11.509 -4.604 -6.810 1.00 4.33 H new ATOM 0 HG3 LYS A 93 10.932 -6.011 -5.939 1.00 4.33 H new ATOM 0 HD2 LYS A 93 11.369 -6.653 -8.264 1.00 50.02 H new ATOM 0 HD3 LYS A 93 9.643 -6.738 -7.973 1.00 50.02 H new ATOM 0 HE2 LYS A 93 9.441 -4.395 -8.985 1.00 43.22 H new ATOM 0 HE3 LYS A 93 11.135 -4.499 -9.421 1.00 43.22 H new ATOM 0 HZ1 LYS A 93 9.718 -5.133 -11.254 1.00 21.31 H new ATOM 0 HZ2 LYS A 93 10.645 -6.464 -10.749 1.00 21.31 H new ATOM 0 HZ3 LYS A 93 9.003 -6.363 -10.327 1.00 21.31 H new ATOM 1577 N LEU A 94 7.300 -3.398 -4.112 1.00 62.44 N ATOM 1578 CA LEU A 94 6.009 -2.746 -3.744 1.00 53.04 C ATOM 1579 C LEU A 94 6.236 -1.347 -3.124 1.00 14.43 C ATOM 1580 O LEU A 94 5.560 -0.368 -3.479 1.00 44.04 O ATOM 1581 CB LEU A 94 5.241 -3.631 -2.722 1.00 62.21 C ATOM 1582 CG LEU A 94 3.878 -3.051 -2.198 1.00 61.35 C ATOM 1583 CD1 LEU A 94 2.771 -3.116 -3.268 1.00 51.10 C ATOM 1584 CD2 LEU A 94 3.437 -3.730 -0.892 1.00 72.40 C ATOM 0 H LEU A 94 7.383 -4.352 -3.761 1.00 62.44 H new ATOM 0 HA LEU A 94 5.426 -2.631 -4.658 1.00 53.04 H new ATOM 0 HB2 LEU A 94 5.048 -4.600 -3.183 1.00 62.21 H new ATOM 0 HB3 LEU A 94 5.891 -3.810 -1.865 1.00 62.21 H new ATOM 0 HG LEU A 94 4.048 -1.997 -1.978 1.00 61.35 H new ATOM 0 HD11 LEU A 94 1.847 -2.704 -2.861 1.00 51.10 H new ATOM 0 HD12 LEU A 94 3.073 -2.536 -4.140 1.00 51.10 H new ATOM 0 HD13 LEU A 94 2.608 -4.153 -3.561 1.00 51.10 H new ATOM 0 HD21 LEU A 94 2.491 -3.302 -0.561 1.00 72.40 H new ATOM 0 HD22 LEU A 94 3.312 -4.799 -1.062 1.00 72.40 H new ATOM 0 HD23 LEU A 94 4.195 -3.571 -0.125 1.00 72.40 H new ATOM 1596 N LEU A 95 7.203 -1.293 -2.195 1.00 71.42 N ATOM 1597 CA LEU A 95 7.618 -0.050 -1.527 1.00 21.34 C ATOM 1598 C LEU A 95 8.130 1.004 -2.541 1.00 53.34 C ATOM 1599 O LEU A 95 7.777 2.175 -2.466 1.00 45.34 O ATOM 1600 CB LEU A 95 8.743 -0.341 -0.506 1.00 11.13 C ATOM 1601 CG LEU A 95 9.253 0.920 0.258 1.00 43.44 C ATOM 1602 CD1 LEU A 95 8.251 1.356 1.340 1.00 12.54 C ATOM 1603 CD2 LEU A 95 10.670 0.729 0.814 1.00 60.13 C ATOM 0 H LEU A 95 7.722 -2.115 -1.885 1.00 71.42 H new ATOM 0 HA LEU A 95 6.740 0.350 -1.019 1.00 21.34 H new ATOM 0 HB2 LEU A 95 8.381 -1.070 0.219 1.00 11.13 H new ATOM 0 HB3 LEU A 95 9.582 -0.800 -1.028 1.00 11.13 H new ATOM 0 HG LEU A 95 9.322 1.734 -0.464 1.00 43.44 H new ATOM 0 HD11 LEU A 95 8.633 2.237 1.856 1.00 12.54 H new ATOM 0 HD12 LEU A 95 7.294 1.594 0.875 1.00 12.54 H new ATOM 0 HD13 LEU A 95 8.115 0.546 2.057 1.00 12.54 H new ATOM 0 HD21 LEU A 95 10.981 1.633 1.337 1.00 60.13 H new ATOM 0 HD22 LEU A 95 10.679 -0.112 1.507 1.00 60.13 H new ATOM 0 HD23 LEU A 95 11.359 0.530 -0.007 1.00 60.13 H new ATOM 1615 N LYS A 96 8.984 0.556 -3.465 1.00 41.14 N ATOM 1616 CA LYS A 96 9.643 1.429 -4.467 1.00 34.01 C ATOM 1617 C LYS A 96 8.638 1.958 -5.523 1.00 0.43 C ATOM 1618 O LYS A 96 8.820 3.048 -6.074 1.00 52.03 O ATOM 1619 CB LYS A 96 10.822 0.656 -5.116 1.00 44.34 C ATOM 1620 CG LYS A 96 11.866 0.170 -4.080 1.00 3.13 C ATOM 1621 CD LYS A 96 13.036 -0.622 -4.701 1.00 63.31 C ATOM 1622 CE LYS A 96 14.064 -1.077 -3.643 1.00 22.43 C ATOM 1623 NZ LYS A 96 15.230 -1.757 -4.259 1.00 43.45 N ATOM 0 H LYS A 96 9.246 -0.426 -3.548 1.00 41.14 H new ATOM 0 HA LYS A 96 10.037 2.313 -3.965 1.00 34.01 H new ATOM 0 HB2 LYS A 96 10.431 -0.203 -5.661 1.00 44.34 H new ATOM 0 HB3 LYS A 96 11.314 1.299 -5.846 1.00 44.34 H new ATOM 0 HG2 LYS A 96 12.266 1.033 -3.548 1.00 3.13 H new ATOM 0 HG3 LYS A 96 11.367 -0.457 -3.341 1.00 3.13 H new ATOM 0 HD2 LYS A 96 12.644 -1.495 -5.222 1.00 63.31 H new ATOM 0 HD3 LYS A 96 13.535 -0.003 -5.447 1.00 63.31 H new ATOM 0 HE2 LYS A 96 14.407 -0.212 -3.075 1.00 22.43 H new ATOM 0 HE3 LYS A 96 13.582 -1.752 -2.936 1.00 22.43 H new ATOM 0 HZ1 LYS A 96 15.896 -2.047 -3.515 1.00 43.45 H new ATOM 0 HZ2 LYS A 96 14.907 -2.597 -4.780 1.00 43.45 H new ATOM 0 HZ3 LYS A 96 15.706 -1.105 -4.915 1.00 43.45 H new ATOM 1637 N GLN A 97 7.579 1.171 -5.786 1.00 50.24 N ATOM 1638 CA GLN A 97 6.440 1.587 -6.642 1.00 23.15 C ATOM 1639 C GLN A 97 5.559 2.632 -5.911 1.00 3.15 C ATOM 1640 O GLN A 97 4.987 3.533 -6.533 1.00 52.11 O ATOM 1641 CB GLN A 97 5.590 0.343 -7.035 1.00 44.51 C ATOM 1642 CG GLN A 97 6.363 -0.800 -7.750 1.00 21.40 C ATOM 1643 CD GLN A 97 6.878 -0.474 -9.161 1.00 3.03 C ATOM 1644 OE1 GLN A 97 7.152 0.669 -9.510 1.00 12.05 O ATOM 1645 NE2 GLN A 97 7.056 -1.495 -9.980 1.00 11.13 N ATOM 0 H GLN A 97 7.484 0.226 -5.413 1.00 50.24 H new ATOM 0 HA GLN A 97 6.835 2.048 -7.548 1.00 23.15 H new ATOM 0 HB2 GLN A 97 5.132 -0.062 -6.132 1.00 44.51 H new ATOM 0 HB3 GLN A 97 4.778 0.670 -7.685 1.00 44.51 H new ATOM 0 HG2 GLN A 97 7.213 -1.083 -7.129 1.00 21.40 H new ATOM 0 HG3 GLN A 97 5.711 -1.671 -7.813 1.00 21.40 H new ATOM 0 HE21 GLN A 97 6.823 -2.440 -9.675 1.00 11.13 H new ATOM 0 HE22 GLN A 97 7.426 -1.338 -10.917 1.00 11.13 H new ATOM 1654 N LEU A 98 5.452 2.467 -4.578 1.00 0.23 N ATOM 1655 CA LEU A 98 4.760 3.420 -3.674 1.00 52.13 C ATOM 1656 C LEU A 98 5.545 4.761 -3.562 1.00 0.30 C ATOM 1657 O LEU A 98 4.948 5.838 -3.476 1.00 41.31 O ATOM 1658 CB LEU A 98 4.590 2.755 -2.275 1.00 72.54 C ATOM 1659 CG LEU A 98 3.706 3.510 -1.234 1.00 32.31 C ATOM 1660 CD1 LEU A 98 2.222 3.529 -1.663 1.00 75.35 C ATOM 1661 CD2 LEU A 98 3.879 2.917 0.185 1.00 2.53 C ATOM 0 H LEU A 98 5.845 1.663 -4.089 1.00 0.23 H new ATOM 0 HA LEU A 98 3.779 3.657 -4.085 1.00 52.13 H new ATOM 0 HB2 LEU A 98 4.167 1.761 -2.422 1.00 72.54 H new ATOM 0 HB3 LEU A 98 5.581 2.619 -1.842 1.00 72.54 H new ATOM 0 HG LEU A 98 4.048 4.544 -1.200 1.00 32.31 H new ATOM 0 HD11 LEU A 98 1.634 4.062 -0.916 1.00 75.35 H new ATOM 0 HD12 LEU A 98 2.128 4.032 -2.626 1.00 75.35 H new ATOM 0 HD13 LEU A 98 1.855 2.506 -1.751 1.00 75.35 H new ATOM 0 HD21 LEU A 98 3.250 3.464 0.887 1.00 2.53 H new ATOM 0 HD22 LEU A 98 3.587 1.867 0.179 1.00 2.53 H new ATOM 0 HD23 LEU A 98 4.922 3.001 0.490 1.00 2.53 H new ATOM 1673 N GLN A 99 6.896 4.664 -3.558 1.00 11.13 N ATOM 1674 CA GLN A 99 7.808 5.838 -3.549 1.00 63.33 C ATOM 1675 C GLN A 99 7.714 6.641 -4.857 1.00 73.14 C ATOM 1676 O GLN A 99 7.863 7.871 -4.856 1.00 14.31 O ATOM 1677 CB GLN A 99 9.275 5.415 -3.285 1.00 22.33 C ATOM 1678 CG GLN A 99 9.532 4.863 -1.869 1.00 64.10 C ATOM 1679 CD GLN A 99 11.012 4.660 -1.541 1.00 74.20 C ATOM 1680 OE1 GLN A 99 11.876 5.354 -2.059 1.00 52.14 O ATOM 1681 NE2 GLN A 99 11.313 3.724 -0.667 1.00 40.12 N ATOM 0 H GLN A 99 7.387 3.770 -3.561 1.00 11.13 H new ATOM 0 HA GLN A 99 7.484 6.482 -2.731 1.00 63.33 H new ATOM 0 HB2 GLN A 99 9.559 4.657 -4.015 1.00 22.33 H new ATOM 0 HB3 GLN A 99 9.924 6.275 -3.450 1.00 22.33 H new ATOM 0 HG2 GLN A 99 9.099 5.547 -1.139 1.00 64.10 H new ATOM 0 HG3 GLN A 99 9.012 3.911 -1.761 1.00 64.10 H new ATOM 0 HE21 GLN A 99 10.573 3.159 -0.250 1.00 40.12 H new ATOM 0 HE22 GLN A 99 12.286 3.563 -0.407 1.00 40.12 H new ATOM 1690 N GLU A 100 7.506 5.923 -5.970 1.00 10.11 N ATOM 1691 CA GLU A 100 7.149 6.542 -7.255 1.00 23.31 C ATOM 1692 C GLU A 100 5.793 7.270 -7.125 1.00 21.22 C ATOM 1693 O GLU A 100 5.705 8.472 -7.361 1.00 41.52 O ATOM 1694 CB GLU A 100 7.077 5.472 -8.383 1.00 12.31 C ATOM 1695 CG GLU A 100 8.438 4.985 -8.912 1.00 22.01 C ATOM 1696 CD GLU A 100 9.205 6.079 -9.683 1.00 12.05 C ATOM 1697 OE1 GLU A 100 8.733 6.490 -10.767 1.00 42.41 O ATOM 1698 OE2 GLU A 100 10.278 6.521 -9.228 1.00 55.02 O ATOM 0 H GLU A 100 7.580 4.906 -6.006 1.00 10.11 H new ATOM 0 HA GLU A 100 7.921 7.264 -7.520 1.00 23.31 H new ATOM 0 HB2 GLU A 100 6.521 4.612 -8.011 1.00 12.31 H new ATOM 0 HB3 GLU A 100 6.507 5.883 -9.216 1.00 12.31 H new ATOM 0 HG2 GLU A 100 9.046 4.642 -8.075 1.00 22.01 H new ATOM 0 HG3 GLU A 100 8.283 4.127 -9.566 1.00 22.01 H new ATOM 1705 N PHE A 101 4.759 6.522 -6.693 1.00 3.50 N ATOM 1706 CA PHE A 101 3.357 7.002 -6.683 1.00 64.42 C ATOM 1707 C PHE A 101 3.161 8.278 -5.820 1.00 20.41 C ATOM 1708 O PHE A 101 2.359 9.139 -6.173 1.00 4.51 O ATOM 1709 CB PHE A 101 2.396 5.872 -6.223 1.00 72.32 C ATOM 1710 CG PHE A 101 0.922 6.281 -6.304 1.00 1.03 C ATOM 1711 CD1 PHE A 101 0.330 6.539 -7.541 1.00 25.25 C ATOM 1712 CD2 PHE A 101 0.150 6.468 -5.157 1.00 54.41 C ATOM 1713 CE1 PHE A 101 -0.981 6.966 -7.626 1.00 4.34 C ATOM 1714 CE2 PHE A 101 -1.159 6.904 -5.251 1.00 74.44 C ATOM 1715 CZ PHE A 101 -1.722 7.148 -6.485 1.00 32.04 C ATOM 0 H PHE A 101 4.868 5.571 -6.342 1.00 3.50 H new ATOM 0 HA PHE A 101 3.113 7.281 -7.708 1.00 64.42 H new ATOM 0 HB2 PHE A 101 2.558 4.989 -6.841 1.00 72.32 H new ATOM 0 HB3 PHE A 101 2.635 5.592 -5.197 1.00 72.32 H new ATOM 0 HD1 PHE A 101 0.905 6.403 -8.445 1.00 25.25 H new ATOM 0 HD2 PHE A 101 0.579 6.270 -4.186 1.00 54.41 H new ATOM 0 HE1 PHE A 101 -1.424 7.157 -8.592 1.00 4.34 H new ATOM 0 HE2 PHE A 101 -1.742 7.054 -4.354 1.00 74.44 H new ATOM 0 HZ PHE A 101 -2.747 7.483 -6.554 1.00 32.04 H new ATOM 1725 N SER A 102 3.892 8.378 -4.698 1.00 51.14 N ATOM 1726 CA SER A 102 3.885 9.587 -3.822 1.00 21.40 C ATOM 1727 C SER A 102 4.256 10.884 -4.593 1.00 44.20 C ATOM 1728 O SER A 102 3.719 11.961 -4.313 1.00 70.33 O ATOM 1729 CB SER A 102 4.866 9.405 -2.650 1.00 40.31 C ATOM 1730 OG SER A 102 6.213 9.394 -3.104 1.00 22.41 O ATOM 0 H SER A 102 4.505 7.634 -4.364 1.00 51.14 H new ATOM 0 HA SER A 102 2.866 9.695 -3.450 1.00 21.40 H new ATOM 0 HB2 SER A 102 4.729 10.211 -1.929 1.00 40.31 H new ATOM 0 HB3 SER A 102 4.647 8.472 -2.130 1.00 40.31 H new ATOM 0 HG SER A 102 6.769 8.897 -2.468 1.00 22.41 H new ATOM 1736 N GLU A 103 5.212 10.769 -5.530 1.00 62.12 N ATOM 1737 CA GLU A 103 5.611 11.882 -6.428 1.00 60.24 C ATOM 1738 C GLU A 103 4.633 12.007 -7.627 1.00 54.52 C ATOM 1739 O GLU A 103 4.300 13.115 -8.066 1.00 64.33 O ATOM 1740 CB GLU A 103 7.070 11.675 -6.931 1.00 22.22 C ATOM 1741 CG GLU A 103 8.074 11.369 -5.804 1.00 65.32 C ATOM 1742 CD GLU A 103 9.544 11.439 -6.255 1.00 4.04 C ATOM 1743 OE1 GLU A 103 10.132 12.545 -6.220 1.00 72.54 O ATOM 1744 OE2 GLU A 103 10.123 10.395 -6.631 1.00 2.22 O ATOM 0 H GLU A 103 5.733 9.907 -5.691 1.00 62.12 H new ATOM 0 HA GLU A 103 5.567 12.811 -5.860 1.00 60.24 H new ATOM 0 HB2 GLU A 103 7.084 10.857 -7.651 1.00 22.22 H new ATOM 0 HB3 GLU A 103 7.393 12.571 -7.461 1.00 22.22 H new ATOM 0 HG2 GLU A 103 7.919 12.075 -4.988 1.00 65.32 H new ATOM 0 HG3 GLU A 103 7.871 10.374 -5.408 1.00 65.32 H new ATOM 1751 N ASN A 104 4.151 10.852 -8.127 1.00 24.04 N ATOM 1752 CA ASN A 104 3.281 10.778 -9.331 1.00 72.30 C ATOM 1753 C ASN A 104 1.765 10.762 -8.968 1.00 4.15 C ATOM 1754 O ASN A 104 0.936 10.266 -9.743 1.00 44.25 O ATOM 1755 CB ASN A 104 3.663 9.531 -10.184 1.00 5.22 C ATOM 1756 CG ASN A 104 5.141 9.534 -10.607 1.00 35.01 C ATOM 1757 OD1 ASN A 104 5.555 10.300 -11.461 1.00 44.31 O ATOM 1758 ND2 ASN A 104 5.931 8.645 -10.052 1.00 14.34 N ATOM 0 H ASN A 104 4.350 9.942 -7.712 1.00 24.04 H new ATOM 0 HA ASN A 104 3.450 11.681 -9.918 1.00 72.30 H new ATOM 0 HB2 ASN A 104 3.454 8.627 -9.612 1.00 5.22 H new ATOM 0 HB3 ASN A 104 3.034 9.498 -11.074 1.00 5.22 H new ATOM 0 HD21 ASN A 104 6.910 8.586 -10.333 1.00 14.34 H new ATOM 0 HD22 ASN A 104 5.566 8.013 -9.339 1.00 14.34 H new ATOM 1765 N LYS A 105 1.416 11.337 -7.791 1.00 31.12 N ATOM 1766 CA LYS A 105 0.005 11.551 -7.359 1.00 65.32 C ATOM 1767 C LYS A 105 -0.764 12.411 -8.392 1.00 41.43 C ATOM 1768 O LYS A 105 -1.880 12.075 -8.804 1.00 0.34 O ATOM 1769 CB LYS A 105 -0.042 12.260 -5.971 1.00 42.35 C ATOM 1770 CG LYS A 105 0.576 11.462 -4.796 1.00 62.40 C ATOM 1771 CD LYS A 105 -0.261 10.232 -4.341 1.00 63.22 C ATOM 1772 CE LYS A 105 -1.366 10.571 -3.312 1.00 72.44 C ATOM 1773 NZ LYS A 105 -2.336 11.587 -3.798 1.00 10.21 N ATOM 0 H LYS A 105 2.102 11.667 -7.112 1.00 31.12 H new ATOM 0 HA LYS A 105 -0.469 10.572 -7.284 1.00 65.32 H new ATOM 0 HB2 LYS A 105 0.477 13.215 -6.052 1.00 42.35 H new ATOM 0 HB3 LYS A 105 -1.082 12.482 -5.730 1.00 42.35 H new ATOM 0 HG2 LYS A 105 1.570 11.122 -5.087 1.00 62.40 H new ATOM 0 HG3 LYS A 105 0.705 12.132 -3.946 1.00 62.40 H new ATOM 0 HD2 LYS A 105 -0.722 9.774 -5.217 1.00 63.22 H new ATOM 0 HD3 LYS A 105 0.409 9.489 -3.908 1.00 63.22 H new ATOM 0 HE2 LYS A 105 -1.905 9.659 -3.055 1.00 72.44 H new ATOM 0 HE3 LYS A 105 -0.900 10.934 -2.396 1.00 72.44 H new ATOM 0 HZ1 LYS A 105 -3.177 11.585 -3.186 1.00 10.21 H new ATOM 0 HZ2 LYS A 105 -1.894 12.528 -3.775 1.00 10.21 H new ATOM 0 HZ3 LYS A 105 -2.617 11.360 -4.773 1.00 10.21 H new ATOM 1787 N GLU A 106 -0.123 13.516 -8.813 1.00 21.11 N ATOM 1788 CA GLU A 106 -0.707 14.506 -9.747 1.00 42.23 C ATOM 1789 C GLU A 106 -0.152 14.346 -11.192 1.00 41.32 C ATOM 1790 O GLU A 106 -0.205 15.281 -12.002 1.00 61.32 O ATOM 1791 CB GLU A 106 -0.456 15.930 -9.182 1.00 53.25 C ATOM 1792 CG GLU A 106 -1.060 16.158 -7.777 1.00 72.13 C ATOM 1793 CD GLU A 106 -0.835 17.577 -7.239 1.00 64.12 C ATOM 1794 OE1 GLU A 106 0.195 17.817 -6.572 1.00 45.54 O ATOM 1795 OE2 GLU A 106 -1.691 18.462 -7.474 1.00 15.14 O ATOM 0 H GLU A 106 0.823 13.753 -8.514 1.00 21.11 H new ATOM 0 HA GLU A 106 -1.781 14.334 -9.825 1.00 42.23 H new ATOM 0 HB2 GLU A 106 0.618 16.110 -9.139 1.00 53.25 H new ATOM 0 HB3 GLU A 106 -0.875 16.663 -9.871 1.00 53.25 H new ATOM 0 HG2 GLU A 106 -2.131 15.957 -7.813 1.00 72.13 H new ATOM 0 HG3 GLU A 106 -0.624 15.441 -7.082 1.00 72.13 H new ATOM 1802 N LYS A 107 0.341 13.129 -11.512 1.00 51.23 N ATOM 1803 CA LYS A 107 0.744 12.730 -12.870 1.00 2.11 C ATOM 1804 C LYS A 107 -0.279 11.681 -13.351 1.00 70.20 C ATOM 1805 O LYS A 107 -0.082 10.465 -13.200 1.00 70.34 O ATOM 1806 CB LYS A 107 2.205 12.186 -12.871 1.00 73.45 C ATOM 1807 CG LYS A 107 2.694 11.666 -14.242 1.00 73.22 C ATOM 1808 CD LYS A 107 4.155 11.160 -14.207 1.00 1.05 C ATOM 1809 CE LYS A 107 4.603 10.514 -15.533 1.00 44.50 C ATOM 1810 NZ LYS A 107 4.592 11.478 -16.665 1.00 50.34 N ATOM 0 H LYS A 107 0.470 12.389 -10.822 1.00 51.23 H new ATOM 0 HA LYS A 107 0.744 13.579 -13.554 1.00 2.11 H new ATOM 0 HB2 LYS A 107 2.875 12.979 -12.537 1.00 73.45 H new ATOM 0 HB3 LYS A 107 2.279 11.378 -12.143 1.00 73.45 H new ATOM 0 HG2 LYS A 107 2.042 10.857 -14.572 1.00 73.22 H new ATOM 0 HG3 LYS A 107 2.609 12.464 -14.979 1.00 73.22 H new ATOM 0 HD2 LYS A 107 4.817 11.994 -13.974 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.263 10.434 -13.401 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.608 10.108 -15.415 1.00 44.50 H new ATOM 0 HE3 LYS A 107 3.946 9.676 -15.766 1.00 44.50 H new ATOM 0 HZ1 LYS A 107 4.901 10.997 -17.534 1.00 50.34 H new ATOM 0 HZ2 LYS A 107 3.629 11.847 -16.797 1.00 50.34 H new ATOM 0 HZ3 LYS A 107 5.239 12.265 -16.457 1.00 50.34 H new ATOM 1824 N GLU A 108 -1.418 12.178 -13.852 1.00 74.13 N ATOM 1825 CA GLU A 108 -2.615 11.375 -14.111 1.00 72.22 C ATOM 1826 C GLU A 108 -2.828 11.143 -15.627 1.00 25.43 C ATOM 1827 O GLU A 108 -2.478 11.989 -16.455 1.00 34.13 O ATOM 1828 CB GLU A 108 -3.829 12.106 -13.476 1.00 31.11 C ATOM 1829 CG GLU A 108 -5.051 11.215 -13.239 1.00 40.33 C ATOM 1830 CD GLU A 108 -6.246 11.968 -12.623 1.00 44.41 C ATOM 1831 OE1 GLU A 108 -6.217 12.256 -11.404 1.00 43.43 O ATOM 1832 OE2 GLU A 108 -7.209 12.294 -13.353 1.00 72.32 O ATOM 0 H GLU A 108 -1.533 13.163 -14.091 1.00 74.13 H new ATOM 0 HA GLU A 108 -2.499 10.388 -13.664 1.00 72.22 H new ATOM 0 HB2 GLU A 108 -3.520 12.538 -12.524 1.00 31.11 H new ATOM 0 HB3 GLU A 108 -4.118 12.934 -14.123 1.00 31.11 H new ATOM 0 HG2 GLU A 108 -5.359 10.773 -14.187 1.00 40.33 H new ATOM 0 HG3 GLU A 108 -4.770 10.393 -12.580 1.00 40.33 H new ATOM 1839 N ILE A 109 -3.428 9.986 -15.968 1.00 43.24 N ATOM 1840 CA ILE A 109 -3.643 9.550 -17.365 1.00 73.24 C ATOM 1841 C ILE A 109 -4.958 10.148 -17.918 1.00 43.35 C ATOM 1842 O ILE A 109 -4.960 11.116 -18.688 1.00 64.30 O ATOM 1843 CB ILE A 109 -3.682 7.965 -17.496 1.00 72.31 C ATOM 1844 CG1 ILE A 109 -2.355 7.280 -16.983 1.00 43.10 C ATOM 1845 CG2 ILE A 109 -3.974 7.532 -18.960 1.00 62.54 C ATOM 1846 CD1 ILE A 109 -2.162 7.244 -15.472 1.00 40.54 C ATOM 0 H ILE A 109 -3.780 9.322 -15.278 1.00 43.24 H new ATOM 0 HA ILE A 109 -2.798 9.915 -17.949 1.00 73.24 H new ATOM 0 HB ILE A 109 -4.495 7.624 -16.854 1.00 72.31 H new ATOM 0 HG12 ILE A 109 -2.330 6.256 -17.357 1.00 43.10 H new ATOM 0 HG13 ILE A 109 -1.506 7.802 -17.425 1.00 43.10 H new ATOM 0 HG21 ILE A 109 -3.995 6.444 -19.020 1.00 62.54 H new ATOM 0 HG22 ILE A 109 -4.939 7.931 -19.272 1.00 62.54 H new ATOM 0 HG23 ILE A 109 -3.193 7.917 -19.616 1.00 62.54 H new ATOM 0 HD11 ILE A 109 -1.219 6.751 -15.237 1.00 40.54 H new ATOM 0 HD12 ILE A 109 -2.146 8.262 -15.083 1.00 40.54 H new ATOM 0 HD13 ILE A 109 -2.983 6.693 -15.013 1.00 40.54 H new TER 1858 ILE A 109