USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1049 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 104 MET CE :methyl 173:sc= -0.357 (180deg=-0.644) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0285 K(o=-0.39,f=-1.5) USER MOD Set 2.1: A 67 GLN :FLIP amide:sc=-0.00707 F(o=-0.82,f=-0.053) USER MOD Set 2.2: A 97 MET CE :methyl -153:sc= -0.0455 (180deg=-0.834) USER MOD Set 3.1: A 61 THR OG1 : rot -26:sc= 0.5 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -166:sc= 0.508 (180deg=0.341) USER MOD Set 4.1: A 24 ASN : amide:sc= 0.864 X(o=0.22,f=0.11) USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= -0.354 USER MOD Set 4.3: A 55 ASN : amide:sc= -0.288 X(o=0.22,f=0.42) USER MOD Set 5.1: A 26 CYS SG : rot 70:sc= 0.518 USER MOD Set 5.2: A 34 GLN : amide:sc= -0.547 X(o=-1.8,f=-1.5) USER MOD Set 5.3: A 38 HIS : no HE2:sc= -1.78 X(o=-1.8,f=-1.5) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0865 (180deg=-0.453) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0505 F(o=-0.56,f=-0.051) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.121 X(o=-0.12,f=-0.26) USER MOD Single : A 6 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-1.5) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.219 (180deg=-0.765) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.16 F(o=-1.8!,f=-0.16) USER MOD Single : A 18 MET CE :methyl 180:sc=-0.00343 (180deg=-0.00343) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 0.602 (180deg=0.418) USER MOD Single : A 21 ASN : amide:sc= -0.0695 K(o=-0.069,f=-0.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.0234 (180deg=-0.635) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -138:sc= -1.9! (180deg=-4.31!) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0212) USER MOD Single : A 40 THR OG1 : rot 72:sc= 1.76 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.916 K(o=-0.92,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0395 (180deg=-0.333) USER MOD Single : A 51 LYS NZ :NH3+ -108:sc= 1.13 (180deg=-0.00159) USER MOD Single : A 53 TYR OH : rot 53:sc= 0.524 USER MOD Single : A 54 SER OG : rot -21:sc= -0.38 USER MOD Single : A 59 CYS SG : rot 66:sc= 0.521 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0228 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= 0.589 (180deg=0.044) USER MOD Single : A 73 CYS SG : rot 126:sc= -3.26! USER MOD Single : A 76 CYS SG : rot 180:sc= -2.17! USER MOD Single : A 78 GLN : amide:sc= 0.0266 X(o=0.027,f=-0.14) USER MOD Single : A 82 THR OG1 : rot -45:sc= 0.879 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 0.67 (180deg=-0.156) USER MOD Single : A 87 TYR OH : rot 48:sc= 0.627 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 90 LYS NZ :NH3+ -130:sc= 0.668 (180deg=-0.196) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc=-0.00641 (180deg=-0.0941) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.258 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= 0.745 (180deg=0.484) USER MOD Single : A 107 TYR OH : rot -130:sc= 0.336 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.311 F(o=-1.8,f=-0.31) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -79:sc= 0.391 USER MOD Single : A 117 CYS SG : rot -33:sc= -5.92! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.171 F(o=-0.79,f=-0.17) USER MOD Single : A 127 CYS SG : rot -99:sc= -2.4! USER MOD Single : A 128 MET CE :methyl -159:sc= -0.131 (180deg=-0.667) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.019 18.223 15.845 1.00 31.42 N ATOM 2 CA MET A 1 15.155 18.645 14.997 1.00 44.33 C ATOM 3 C MET A 1 14.715 19.782 14.061 1.00 5.21 C ATOM 4 O MET A 1 14.011 19.548 13.069 1.00 40.32 O ATOM 5 CB MET A 1 15.705 17.443 14.184 1.00 32.05 C ATOM 6 CG MET A 1 16.926 17.763 13.311 1.00 42.02 C ATOM 7 SD MET A 1 17.511 16.341 12.362 1.00 42.01 S ATOM 8 CE MET A 1 16.104 15.975 11.308 1.00 52.15 C ATOM 0 H1 MET A 1 14.323 17.454 16.476 1.00 31.42 H new ATOM 0 H2 MET A 1 13.693 19.029 16.415 1.00 31.42 H new ATOM 0 H3 MET A 1 13.241 17.888 15.242 1.00 31.42 H new ATOM 0 HA MET A 1 15.957 19.012 15.638 1.00 44.33 H new ATOM 0 HB2 MET A 1 15.970 16.644 14.877 1.00 32.05 H new ATOM 0 HB3 MET A 1 14.909 17.060 13.545 1.00 32.05 H new ATOM 0 HG2 MET A 1 16.673 18.571 12.625 1.00 42.02 H new ATOM 0 HG3 MET A 1 17.734 18.126 13.946 1.00 42.02 H new ATOM 0 HE1 MET A 1 16.416 15.309 10.503 1.00 52.15 H new ATOM 0 HE2 MET A 1 15.324 15.492 11.897 1.00 52.15 H new ATOM 0 HE3 MET A 1 15.717 16.901 10.883 1.00 52.15 H new ATOM 20 N GLY A 2 15.113 21.016 14.406 1.00 73.45 N ATOM 21 CA GLY A 2 14.835 22.200 13.599 1.00 25.34 C ATOM 22 C GLY A 2 16.109 22.828 13.081 1.00 72.11 C ATOM 23 O GLY A 2 16.646 23.748 13.707 1.00 21.43 O ATOM 0 H GLY A 2 15.639 21.215 15.257 1.00 73.45 H new ATOM 0 HA2 GLY A 2 14.195 21.928 12.760 1.00 25.34 H new ATOM 0 HA3 GLY A 2 14.286 22.928 14.196 1.00 25.34 H new ATOM 27 N HIS A 3 16.622 22.302 11.954 1.00 50.54 N ATOM 28 CA HIS A 3 17.814 22.848 11.283 1.00 40.11 C ATOM 29 C HIS A 3 17.467 24.179 10.596 1.00 54.12 C ATOM 30 O HIS A 3 16.963 24.193 9.462 1.00 0.03 O ATOM 31 CB HIS A 3 18.407 21.856 10.242 1.00 22.41 C ATOM 32 CG HIS A 3 18.975 20.583 10.804 1.00 34.34 C ATOM 33 ND1 HIS A 3 19.745 20.355 11.896 1.00 44.31 N flip ATOM 34 CD2 HIS A 3 18.853 19.368 10.165 1.00 15.11 C flip ATOM 35 CE1 HIS A 3 20.068 19.022 11.886 1.00 41.42 C flip ATOM 36 NE2 HIS A 3 19.519 18.451 10.831 1.00 2.51 N flip ATOM 0 H HIS A 3 16.223 21.489 11.485 1.00 50.54 H new ATOM 0 HA HIS A 3 18.572 23.014 12.049 1.00 40.11 H new ATOM 0 HB2 HIS A 3 17.626 21.599 9.527 1.00 22.41 H new ATOM 0 HB3 HIS A 3 19.192 22.368 9.686 1.00 22.41 H new ATOM 0 HD2 HIS A 3 18.296 19.196 9.256 1.00 15.11 H new ATOM 0 HE1 HIS A 3 20.675 18.520 12.624 1.00 41.42 H new ATOM 0 HE2 HIS A 3 19.598 17.467 10.576 1.00 2.51 H new ATOM 45 N HIS A 4 17.704 25.288 11.315 1.00 33.44 N ATOM 46 CA HIS A 4 17.545 26.646 10.777 1.00 4.04 C ATOM 47 C HIS A 4 18.617 26.871 9.701 1.00 74.04 C ATOM 48 O HIS A 4 19.813 26.914 10.017 1.00 0.22 O ATOM 49 CB HIS A 4 17.669 27.707 11.905 1.00 31.52 C ATOM 50 CG HIS A 4 16.691 27.519 13.039 1.00 11.22 C ATOM 51 ND1 HIS A 4 15.377 27.919 12.973 1.00 5.54 N ATOM 52 CD2 HIS A 4 16.838 26.942 14.255 1.00 31.40 C ATOM 53 CE1 HIS A 4 14.762 27.594 14.093 1.00 70.43 C ATOM 54 NE2 HIS A 4 15.625 27.000 14.888 1.00 12.14 N ATOM 0 H HIS A 4 18.012 25.267 12.287 1.00 33.44 H new ATOM 0 HA HIS A 4 16.553 26.752 10.339 1.00 4.04 H new ATOM 0 HB2 HIS A 4 18.682 27.679 12.305 1.00 31.52 H new ATOM 0 HB3 HIS A 4 17.523 28.698 11.475 1.00 31.52 H new ATOM 0 HD2 HIS A 4 17.746 26.514 14.653 1.00 31.40 H new ATOM 0 HE1 HIS A 4 13.723 27.784 14.320 1.00 70.43 H new ATOM 0 HE2 HIS A 4 15.424 26.642 15.822 1.00 12.14 H new ATOM 63 N HIS A 5 18.194 26.964 8.430 1.00 33.20 N ATOM 64 CA HIS A 5 19.120 27.062 7.282 1.00 65.42 C ATOM 65 C HIS A 5 18.912 28.361 6.500 1.00 20.20 C ATOM 66 O HIS A 5 19.244 28.426 5.318 1.00 43.03 O ATOM 67 CB HIS A 5 18.973 25.818 6.364 1.00 12.54 C ATOM 68 CG HIS A 5 17.621 25.626 5.712 1.00 52.42 C ATOM 69 ND1 HIS A 5 17.220 26.314 4.585 1.00 64.44 N ATOM 70 CD2 HIS A 5 16.588 24.807 6.028 1.00 21.03 C ATOM 71 CE1 HIS A 5 16.009 25.928 4.242 1.00 21.22 C ATOM 72 NE2 HIS A 5 15.604 25.016 5.098 1.00 54.14 N ATOM 0 H HIS A 5 17.209 26.974 8.167 1.00 33.20 H new ATOM 0 HA HIS A 5 20.139 27.084 7.669 1.00 65.42 H new ATOM 0 HB2 HIS A 5 19.726 25.880 5.579 1.00 12.54 H new ATOM 0 HB3 HIS A 5 19.199 24.929 6.953 1.00 12.54 H new ATOM 0 HD1 HIS A 5 17.776 27.014 4.094 1.00 64.44 H new ATOM 0 HD2 HIS A 5 16.548 24.118 6.859 1.00 21.03 H new ATOM 0 HE1 HIS A 5 15.444 26.298 3.400 1.00 21.22 H new ATOM 81 N HIS A 6 18.414 29.414 7.174 1.00 10.13 N ATOM 82 CA HIS A 6 18.261 30.755 6.549 1.00 52.22 C ATOM 83 C HIS A 6 19.636 31.319 6.100 1.00 4.52 C ATOM 84 O HIS A 6 19.712 32.158 5.205 1.00 63.32 O ATOM 85 CB HIS A 6 17.536 31.761 7.494 1.00 13.11 C ATOM 86 CG HIS A 6 18.309 32.219 8.717 1.00 54.41 C ATOM 87 ND1 HIS A 6 18.122 31.694 9.981 1.00 20.31 N ATOM 88 CD2 HIS A 6 19.252 33.186 8.865 1.00 22.54 C ATOM 89 CE1 HIS A 6 18.909 32.318 10.840 1.00 64.04 C ATOM 90 NE2 HIS A 6 19.602 33.223 10.185 1.00 5.53 N ATOM 0 H HIS A 6 18.110 29.370 8.147 1.00 10.13 H new ATOM 0 HA HIS A 6 17.634 30.627 5.666 1.00 52.22 H new ATOM 0 HB2 HIS A 6 17.266 32.642 6.912 1.00 13.11 H new ATOM 0 HB3 HIS A 6 16.606 31.303 7.830 1.00 13.11 H new ATOM 0 HD2 HIS A 6 19.652 33.812 8.081 1.00 22.54 H new ATOM 0 HE1 HIS A 6 18.972 32.118 11.900 1.00 64.04 H new ATOM 0 HE2 HIS A 6 20.291 33.852 10.597 1.00 5.53 H new ATOM 99 N HIS A 7 20.703 30.824 6.753 1.00 62.42 N ATOM 100 CA HIS A 7 22.102 31.180 6.463 1.00 10.20 C ATOM 101 C HIS A 7 22.572 30.559 5.128 1.00 41.32 C ATOM 102 O HIS A 7 23.298 31.195 4.357 1.00 0.43 O ATOM 103 CB HIS A 7 22.983 30.694 7.646 1.00 0.11 C ATOM 104 CG HIS A 7 24.433 31.088 7.574 1.00 44.04 C ATOM 105 ND1 HIS A 7 25.468 30.198 7.745 1.00 34.24 N ATOM 106 CD2 HIS A 7 25.015 32.297 7.391 1.00 72.31 C ATOM 107 CE1 HIS A 7 26.617 30.837 7.674 1.00 23.34 C ATOM 108 NE2 HIS A 7 26.368 32.111 7.461 1.00 14.42 N ATOM 0 H HIS A 7 20.613 30.150 7.514 1.00 62.42 H new ATOM 0 HA HIS A 7 22.191 32.261 6.356 1.00 10.20 H new ATOM 0 HB2 HIS A 7 22.564 31.084 8.573 1.00 0.11 H new ATOM 0 HB3 HIS A 7 22.921 29.607 7.700 1.00 0.11 H new ATOM 0 HD2 HIS A 7 24.505 33.234 7.221 1.00 72.31 H new ATOM 0 HE1 HIS A 7 27.596 30.392 7.774 1.00 23.34 H new ATOM 0 HE2 HIS A 7 27.072 32.843 7.364 1.00 14.42 H new ATOM 117 N HIS A 8 22.163 29.307 4.875 1.00 54.40 N ATOM 118 CA HIS A 8 22.507 28.578 3.638 1.00 32.52 C ATOM 119 C HIS A 8 21.304 28.591 2.678 1.00 70.52 C ATOM 120 O HIS A 8 20.333 27.857 2.892 1.00 72.20 O ATOM 121 CB HIS A 8 22.949 27.133 3.961 1.00 75.15 C ATOM 122 CG HIS A 8 23.285 26.296 2.743 1.00 12.22 C ATOM 123 ND1 HIS A 8 22.523 25.224 2.331 1.00 25.23 N ATOM 124 CD2 HIS A 8 24.297 26.393 1.842 1.00 61.41 C ATOM 125 CE1 HIS A 8 23.057 24.691 1.252 1.00 71.34 C ATOM 126 NE2 HIS A 8 24.128 25.385 0.932 1.00 22.13 N ATOM 0 H HIS A 8 21.584 28.769 5.520 1.00 54.40 H new ATOM 0 HA HIS A 8 23.345 29.076 3.151 1.00 32.52 H new ATOM 0 HB2 HIS A 8 23.821 27.170 4.614 1.00 75.15 H new ATOM 0 HB3 HIS A 8 22.154 26.639 4.519 1.00 75.15 H new ATOM 0 HD2 HIS A 8 25.088 27.129 1.844 1.00 61.41 H new ATOM 0 HE1 HIS A 8 22.680 23.830 0.720 1.00 71.34 H new ATOM 0 HE2 HIS A 8 24.735 25.201 0.133 1.00 22.13 H new ATOM 135 N SER A 9 21.395 29.438 1.640 1.00 33.31 N ATOM 136 CA SER A 9 20.329 29.675 0.661 1.00 24.54 C ATOM 137 C SER A 9 19.830 28.367 -0.009 1.00 23.24 C ATOM 138 O SER A 9 20.472 27.809 -0.913 1.00 74.31 O ATOM 139 CB SER A 9 20.823 30.689 -0.391 1.00 43.24 C ATOM 140 OG SER A 9 21.212 31.909 0.228 1.00 10.02 O ATOM 0 H SER A 9 22.234 29.989 1.456 1.00 33.31 H new ATOM 0 HA SER A 9 19.469 30.086 1.190 1.00 24.54 H new ATOM 0 HB2 SER A 9 21.666 30.269 -0.940 1.00 43.24 H new ATOM 0 HB3 SER A 9 20.033 30.880 -1.118 1.00 43.24 H new ATOM 0 HG SER A 9 21.524 32.538 -0.456 1.00 10.02 H new ATOM 146 N HIS A 10 18.684 27.895 0.492 1.00 21.31 N ATOM 147 CA HIS A 10 17.986 26.705 0.008 1.00 31.02 C ATOM 148 C HIS A 10 16.482 26.971 0.224 1.00 45.13 C ATOM 149 O HIS A 10 15.872 26.461 1.167 1.00 43.10 O ATOM 150 CB HIS A 10 18.503 25.438 0.764 1.00 21.10 C ATOM 151 CG HIS A 10 17.990 24.123 0.224 1.00 64.41 C ATOM 152 ND1 HIS A 10 18.501 23.525 -0.910 1.00 3.12 N ATOM 153 CD2 HIS A 10 17.004 23.303 0.654 1.00 21.54 C ATOM 154 CE1 HIS A 10 17.852 22.406 -1.151 1.00 63.04 C ATOM 155 NE2 HIS A 10 16.941 22.247 -0.222 1.00 70.32 N ATOM 0 H HIS A 10 18.203 28.347 1.270 1.00 21.31 H new ATOM 0 HA HIS A 10 18.171 26.510 -1.048 1.00 31.02 H new ATOM 0 HB2 HIS A 10 19.592 25.430 0.727 1.00 21.10 H new ATOM 0 HB3 HIS A 10 18.221 25.518 1.814 1.00 21.10 H new ATOM 0 HD2 HIS A 10 16.382 23.451 1.524 1.00 21.54 H new ATOM 0 HE1 HIS A 10 18.038 21.733 -1.975 1.00 63.04 H new ATOM 0 HE2 HIS A 10 16.290 21.464 -0.160 1.00 70.32 H new ATOM 164 N MET A 11 15.931 27.838 -0.656 1.00 41.31 N ATOM 165 CA MET A 11 14.605 28.498 -0.484 1.00 42.44 C ATOM 166 C MET A 11 13.442 27.510 -0.264 1.00 1.32 C ATOM 167 O MET A 11 12.502 27.798 0.482 1.00 32.41 O ATOM 168 CB MET A 11 14.319 29.423 -1.699 1.00 43.02 C ATOM 169 CG MET A 11 14.249 28.723 -3.068 1.00 53.34 C ATOM 170 SD MET A 11 14.104 29.883 -4.452 1.00 4.52 S ATOM 171 CE MET A 11 15.607 30.860 -4.302 1.00 65.25 C ATOM 0 H MET A 11 16.399 28.107 -1.522 1.00 41.31 H new ATOM 0 HA MET A 11 14.665 29.089 0.430 1.00 42.44 H new ATOM 0 HB2 MET A 11 13.374 29.938 -1.526 1.00 43.02 H new ATOM 0 HB3 MET A 11 15.095 30.187 -1.741 1.00 43.02 H new ATOM 0 HG2 MET A 11 15.143 28.114 -3.204 1.00 53.34 H new ATOM 0 HG3 MET A 11 13.396 28.044 -3.079 1.00 53.34 H new ATOM 0 HE1 MET A 11 15.821 31.347 -5.253 1.00 65.25 H new ATOM 0 HE2 MET A 11 15.473 31.617 -3.529 1.00 65.25 H new ATOM 0 HE3 MET A 11 16.439 30.209 -4.032 1.00 65.25 H new ATOM 181 N ASN A 12 13.511 26.363 -0.938 1.00 33.24 N ATOM 182 CA ASN A 12 12.596 25.226 -0.720 1.00 32.24 C ATOM 183 C ASN A 12 13.440 24.014 -0.297 1.00 4.43 C ATOM 184 O ASN A 12 14.386 23.673 -1.017 1.00 20.42 O ATOM 185 CB ASN A 12 11.794 24.878 -2.011 1.00 41.34 C ATOM 186 CG ASN A 12 10.797 25.959 -2.415 1.00 4.41 C ATOM 187 OD1 ASN A 12 11.241 26.919 -3.206 1.00 63.13 O flip ATOM 188 ND2 ASN A 12 9.628 25.925 -2.023 1.00 13.12 N flip ATOM 0 H ASN A 12 14.209 26.188 -1.661 1.00 33.24 H new ATOM 0 HA ASN A 12 11.874 25.492 0.052 1.00 32.24 H new ATOM 0 HB2 ASN A 12 12.493 24.714 -2.831 1.00 41.34 H new ATOM 0 HB3 ASN A 12 11.259 23.941 -1.856 1.00 41.34 H new ATOM 0 HD21 ASN A 12 9.317 25.170 -1.413 1.00 13.12 H new ATOM 0 HD22 ASN A 12 8.973 26.652 -2.309 1.00 13.12 H new ATOM 195 N PRO A 13 13.157 23.361 0.878 1.00 13.24 N ATOM 196 CA PRO A 13 13.770 22.054 1.229 1.00 22.34 C ATOM 197 C PRO A 13 13.502 21.013 0.125 1.00 73.13 C ATOM 198 O PRO A 13 14.417 20.306 -0.315 1.00 2.44 O ATOM 199 CB PRO A 13 13.096 21.670 2.569 1.00 70.52 C ATOM 200 CG PRO A 13 12.634 22.973 3.149 1.00 41.13 C ATOM 201 CD PRO A 13 12.261 23.847 1.961 1.00 31.44 C ATOM 0 HA PRO A 13 14.855 22.101 1.322 1.00 22.34 H new ATOM 0 HB2 PRO A 13 12.260 20.988 2.411 1.00 70.52 H new ATOM 0 HB3 PRO A 13 13.797 21.166 3.235 1.00 70.52 H new ATOM 0 HG2 PRO A 13 11.780 22.826 3.810 1.00 41.13 H new ATOM 0 HG3 PRO A 13 13.421 23.437 3.744 1.00 41.13 H new ATOM 0 HD2 PRO A 13 11.210 23.734 1.694 1.00 31.44 H new ATOM 0 HD3 PRO A 13 12.424 24.904 2.173 1.00 31.44 H new ATOM 209 N ASP A 14 12.234 20.989 -0.339 1.00 11.14 N ATOM 210 CA ASP A 14 11.769 20.132 -1.444 1.00 24.42 C ATOM 211 C ASP A 14 10.303 20.469 -1.762 1.00 53.34 C ATOM 212 O ASP A 14 9.419 20.280 -0.917 1.00 64.32 O ATOM 213 CB ASP A 14 11.926 18.623 -1.096 1.00 22.15 C ATOM 214 CG ASP A 14 11.253 17.672 -2.093 1.00 40.31 C ATOM 215 OD1 ASP A 14 11.434 17.846 -3.321 1.00 42.50 O ATOM 216 OD2 ASP A 14 10.560 16.731 -1.652 1.00 72.24 O ATOM 0 H ASP A 14 11.496 21.574 0.052 1.00 11.14 H new ATOM 0 HA ASP A 14 12.385 20.325 -2.323 1.00 24.42 H new ATOM 0 HB2 ASP A 14 12.988 18.383 -1.043 1.00 22.15 H new ATOM 0 HB3 ASP A 14 11.509 18.446 -0.105 1.00 22.15 H new ATOM 221 N LEU A 15 10.044 20.956 -2.990 1.00 32.43 N ATOM 222 CA LEU A 15 8.676 21.298 -3.444 1.00 51.02 C ATOM 223 C LEU A 15 7.742 20.063 -3.353 1.00 65.20 C ATOM 224 O LEU A 15 6.564 20.168 -2.965 1.00 65.41 O ATOM 225 CB LEU A 15 8.675 21.869 -4.899 1.00 21.04 C ATOM 226 CG LEU A 15 9.456 23.219 -5.139 1.00 72.30 C ATOM 227 CD1 LEU A 15 10.969 23.003 -5.301 1.00 34.44 C ATOM 228 CD2 LEU A 15 8.879 24.012 -6.334 1.00 14.04 C ATOM 0 H LEU A 15 10.766 21.123 -3.691 1.00 32.43 H new ATOM 0 HA LEU A 15 8.299 22.075 -2.779 1.00 51.02 H new ATOM 0 HB2 LEU A 15 9.096 21.112 -5.560 1.00 21.04 H new ATOM 0 HB3 LEU A 15 7.639 22.018 -5.204 1.00 21.04 H new ATOM 0 HG LEU A 15 9.312 23.817 -4.239 1.00 72.30 H new ATOM 0 HD11 LEU A 15 11.458 23.963 -5.464 1.00 34.44 H new ATOM 0 HD12 LEU A 15 11.369 22.540 -4.399 1.00 34.44 H new ATOM 0 HD13 LEU A 15 11.154 22.352 -6.156 1.00 34.44 H new ATOM 0 HD21 LEU A 15 9.445 24.934 -6.466 1.00 14.04 H new ATOM 0 HD22 LEU A 15 8.952 23.410 -7.239 1.00 14.04 H new ATOM 0 HD23 LEU A 15 7.833 24.252 -6.141 1.00 14.04 H new ATOM 240 N ALA A 16 8.315 18.888 -3.645 1.00 72.43 N ATOM 241 CA ALA A 16 7.597 17.605 -3.630 1.00 53.33 C ATOM 242 C ALA A 16 7.095 17.215 -2.220 1.00 12.00 C ATOM 243 O ALA A 16 6.164 16.402 -2.100 1.00 53.40 O ATOM 244 CB ALA A 16 8.485 16.504 -4.228 1.00 13.12 C ATOM 0 H ALA A 16 9.298 18.800 -3.901 1.00 72.43 H new ATOM 0 HA ALA A 16 6.705 17.721 -4.246 1.00 53.33 H new ATOM 0 HB1 ALA A 16 7.948 15.556 -4.214 1.00 13.12 H new ATOM 0 HB2 ALA A 16 8.741 16.761 -5.256 1.00 13.12 H new ATOM 0 HB3 ALA A 16 9.398 16.413 -3.639 1.00 13.12 H new ATOM 250 N LEU A 17 7.700 17.791 -1.148 1.00 61.31 N ATOM 251 CA LEU A 17 7.275 17.492 0.238 1.00 52.44 C ATOM 252 C LEU A 17 6.025 18.310 0.605 1.00 61.33 C ATOM 253 O LEU A 17 5.289 17.944 1.534 1.00 32.32 O ATOM 254 CB LEU A 17 8.459 17.706 1.250 1.00 12.32 C ATOM 255 CG LEU A 17 8.672 19.139 1.899 1.00 62.43 C ATOM 256 CD1 LEU A 17 7.838 19.342 3.188 1.00 55.51 C ATOM 257 CD2 LEU A 17 10.163 19.417 2.185 1.00 42.25 C ATOM 0 H LEU A 17 8.471 18.455 -1.218 1.00 61.31 H new ATOM 0 HA LEU A 17 7.000 16.439 0.303 1.00 52.44 H new ATOM 0 HB2 LEU A 17 8.328 16.993 2.064 1.00 12.32 H new ATOM 0 HB3 LEU A 17 9.382 17.438 0.737 1.00 12.32 H new ATOM 0 HG LEU A 17 8.316 19.857 1.160 1.00 62.43 H new ATOM 0 HD11 LEU A 17 8.023 20.339 3.588 1.00 55.51 H new ATOM 0 HD12 LEU A 17 6.778 19.235 2.956 1.00 55.51 H new ATOM 0 HD13 LEU A 17 8.125 18.595 3.928 1.00 55.51 H new ATOM 0 HD21 LEU A 17 10.270 20.407 2.629 1.00 42.25 H new ATOM 0 HD22 LEU A 17 10.547 18.666 2.876 1.00 42.25 H new ATOM 0 HD23 LEU A 17 10.726 19.375 1.253 1.00 42.25 H new ATOM 269 N MET A 18 5.782 19.411 -0.136 1.00 22.22 N ATOM 270 CA MET A 18 4.690 20.358 0.175 1.00 70.13 C ATOM 271 C MET A 18 3.327 19.740 -0.192 1.00 54.41 C ATOM 272 O MET A 18 2.362 19.804 0.578 1.00 51.41 O ATOM 273 CB MET A 18 4.916 21.706 -0.574 1.00 4.31 C ATOM 274 CG MET A 18 6.330 22.298 -0.403 1.00 22.23 C ATOM 275 SD MET A 18 6.777 22.607 1.322 1.00 31.22 S ATOM 276 CE MET A 18 8.453 23.238 1.150 1.00 51.25 C ATOM 0 H MET A 18 6.330 19.667 -0.957 1.00 22.22 H new ATOM 0 HA MET A 18 4.691 20.562 1.246 1.00 70.13 H new ATOM 0 HB2 MET A 18 4.724 21.554 -1.636 1.00 4.31 H new ATOM 0 HB3 MET A 18 4.185 22.433 -0.219 1.00 4.31 H new ATOM 0 HG2 MET A 18 7.057 21.615 -0.842 1.00 22.23 H new ATOM 0 HG3 MET A 18 6.394 23.233 -0.960 1.00 22.23 H new ATOM 0 HE1 MET A 18 8.857 23.472 2.135 1.00 51.25 H new ATOM 0 HE2 MET A 18 9.078 22.484 0.671 1.00 51.25 H new ATOM 0 HE3 MET A 18 8.441 24.141 0.539 1.00 51.25 H new ATOM 286 N VAL A 19 3.297 19.077 -1.357 1.00 12.30 N ATOM 287 CA VAL A 19 2.070 18.490 -1.925 1.00 24.21 C ATOM 288 C VAL A 19 1.601 17.237 -1.140 1.00 33.02 C ATOM 289 O VAL A 19 0.390 16.980 -1.037 1.00 75.50 O ATOM 290 CB VAL A 19 2.269 18.156 -3.448 1.00 73.21 C ATOM 291 CG1 VAL A 19 3.424 17.161 -3.665 1.00 54.22 C ATOM 292 CG2 VAL A 19 0.960 17.654 -4.101 1.00 34.00 C ATOM 0 H VAL A 19 4.124 18.931 -1.935 1.00 12.30 H new ATOM 0 HA VAL A 19 1.282 19.237 -1.832 1.00 24.21 H new ATOM 0 HB VAL A 19 2.542 19.086 -3.946 1.00 73.21 H new ATOM 0 HG11 VAL A 19 3.531 16.954 -4.730 1.00 54.22 H new ATOM 0 HG12 VAL A 19 4.351 17.590 -3.284 1.00 54.22 H new ATOM 0 HG13 VAL A 19 3.209 16.233 -3.135 1.00 54.22 H new ATOM 0 HG21 VAL A 19 1.139 17.434 -5.153 1.00 34.00 H new ATOM 0 HG22 VAL A 19 0.624 16.750 -3.594 1.00 34.00 H new ATOM 0 HG23 VAL A 19 0.193 18.424 -4.017 1.00 34.00 H new ATOM 302 N LYS A 20 2.556 16.475 -0.565 1.00 31.34 N ATOM 303 CA LYS A 20 2.228 15.229 0.161 1.00 54.23 C ATOM 304 C LYS A 20 1.568 15.536 1.525 1.00 62.15 C ATOM 305 O LYS A 20 0.718 14.773 1.987 1.00 42.22 O ATOM 306 CB LYS A 20 3.487 14.330 0.339 1.00 0.53 C ATOM 307 CG LYS A 20 4.536 14.838 1.355 1.00 4.25 C ATOM 308 CD LYS A 20 5.754 13.889 1.506 1.00 2.31 C ATOM 309 CE LYS A 20 6.600 13.781 0.234 1.00 35.01 C ATOM 310 NZ LYS A 20 7.704 12.789 0.374 1.00 2.25 N ATOM 0 H LYS A 20 3.551 16.698 -0.589 1.00 31.34 H new ATOM 0 HA LYS A 20 1.508 14.676 -0.442 1.00 54.23 H new ATOM 0 HB2 LYS A 20 3.161 13.337 0.648 1.00 0.53 H new ATOM 0 HB3 LYS A 20 3.972 14.219 -0.631 1.00 0.53 H new ATOM 0 HG2 LYS A 20 4.887 15.822 1.043 1.00 4.25 H new ATOM 0 HG3 LYS A 20 4.059 14.963 2.327 1.00 4.25 H new ATOM 0 HD2 LYS A 20 6.383 14.243 2.323 1.00 2.31 H new ATOM 0 HD3 LYS A 20 5.400 12.896 1.784 1.00 2.31 H new ATOM 0 HE2 LYS A 20 5.961 13.496 -0.602 1.00 35.01 H new ATOM 0 HE3 LYS A 20 7.020 14.758 -0.005 1.00 35.01 H new ATOM 0 HZ1 LYS A 20 8.007 12.471 -0.569 1.00 2.25 H new ATOM 0 HZ2 LYS A 20 8.507 13.231 0.865 1.00 2.25 H new ATOM 0 HZ3 LYS A 20 7.369 11.972 0.924 1.00 2.25 H new ATOM 324 N ASN A 21 1.958 16.673 2.141 1.00 24.13 N ATOM 325 CA ASN A 21 1.439 17.102 3.462 1.00 75.01 C ATOM 326 C ASN A 21 -0.047 17.478 3.378 1.00 11.11 C ATOM 327 O ASN A 21 -0.851 17.022 4.197 1.00 44.12 O ATOM 328 CB ASN A 21 2.270 18.290 4.032 1.00 35.53 C ATOM 329 CG ASN A 21 3.664 17.885 4.518 1.00 0.21 C ATOM 330 OD1 ASN A 21 3.878 16.761 4.985 1.00 13.41 O ATOM 331 ND2 ASN A 21 4.623 18.794 4.414 1.00 52.34 N ATOM 0 H ASN A 21 2.639 17.318 1.740 1.00 24.13 H new ATOM 0 HA ASN A 21 1.538 16.257 4.144 1.00 75.01 H new ATOM 0 HB2 ASN A 21 2.371 19.055 3.262 1.00 35.53 H new ATOM 0 HB3 ASN A 21 1.723 18.741 4.860 1.00 35.53 H new ATOM 0 HD21 ASN A 21 5.570 18.574 4.724 1.00 52.34 H new ATOM 0 HD22 ASN A 21 4.414 19.713 4.024 1.00 52.34 H new ATOM 338 N LYS A 22 -0.397 18.301 2.371 1.00 72.13 N ATOM 339 CA LYS A 22 -1.793 18.726 2.136 1.00 32.21 C ATOM 340 C LYS A 22 -2.646 17.564 1.584 1.00 3.21 C ATOM 341 O LYS A 22 -3.868 17.562 1.733 1.00 65.31 O ATOM 342 CB LYS A 22 -1.813 19.950 1.194 1.00 33.24 C ATOM 343 CG LYS A 22 -1.260 19.681 -0.216 1.00 23.45 C ATOM 344 CD LYS A 22 -0.858 20.968 -0.954 1.00 44.42 C ATOM 345 CE LYS A 22 -2.021 21.961 -1.158 1.00 33.12 C ATOM 346 NZ LYS A 22 -1.574 23.201 -1.866 1.00 43.40 N ATOM 0 H LYS A 22 0.271 18.687 1.703 1.00 72.13 H new ATOM 0 HA LYS A 22 -2.239 19.018 3.087 1.00 32.21 H new ATOM 0 HB2 LYS A 22 -2.839 20.307 1.106 1.00 33.24 H new ATOM 0 HB3 LYS A 22 -1.234 20.753 1.650 1.00 33.24 H new ATOM 0 HG2 LYS A 22 -0.393 19.024 -0.142 1.00 23.45 H new ATOM 0 HG3 LYS A 22 -2.012 19.152 -0.801 1.00 23.45 H new ATOM 0 HD2 LYS A 22 -0.064 21.463 -0.394 1.00 44.42 H new ATOM 0 HD3 LYS A 22 -0.444 20.703 -1.927 1.00 44.42 H new ATOM 0 HE2 LYS A 22 -2.813 21.480 -1.732 1.00 33.12 H new ATOM 0 HE3 LYS A 22 -2.445 22.228 -0.190 1.00 33.12 H new ATOM 0 HZ1 LYS A 22 -2.383 23.844 -1.985 1.00 43.40 H new ATOM 0 HZ2 LYS A 22 -0.836 23.673 -1.306 1.00 43.40 H new ATOM 0 HZ3 LYS A 22 -1.192 22.949 -2.800 1.00 43.40 H new ATOM 360 N GLY A 23 -1.976 16.582 0.946 1.00 62.12 N ATOM 361 CA GLY A 23 -2.619 15.328 0.531 1.00 22.41 C ATOM 362 C GLY A 23 -3.136 14.509 1.710 1.00 31.35 C ATOM 363 O GLY A 23 -4.338 14.210 1.793 1.00 44.14 O ATOM 0 H GLY A 23 -0.986 16.639 0.708 1.00 62.12 H new ATOM 0 HA2 GLY A 23 -3.448 15.555 -0.139 1.00 22.41 H new ATOM 0 HA3 GLY A 23 -1.906 14.730 -0.036 1.00 22.41 H new ATOM 367 N ASN A 24 -2.210 14.163 2.623 1.00 54.22 N ATOM 368 CA ASN A 24 -2.524 13.478 3.895 1.00 24.11 C ATOM 369 C ASN A 24 -3.466 14.322 4.783 1.00 51.01 C ATOM 370 O ASN A 24 -4.247 13.765 5.560 1.00 30.25 O ATOM 371 CB ASN A 24 -1.217 13.130 4.664 1.00 23.23 C ATOM 372 CG ASN A 24 -0.496 11.903 4.093 1.00 61.13 C ATOM 373 OD1 ASN A 24 -0.775 10.775 4.491 1.00 23.54 O ATOM 374 ND2 ASN A 24 0.433 12.101 3.170 1.00 23.13 N ATOM 0 H ASN A 24 -1.215 14.351 2.500 1.00 54.22 H new ATOM 0 HA ASN A 24 -3.045 12.553 3.650 1.00 24.11 H new ATOM 0 HB2 ASN A 24 -0.544 13.987 4.633 1.00 23.23 H new ATOM 0 HB3 ASN A 24 -1.455 12.950 5.712 1.00 23.23 H new ATOM 0 HD21 ASN A 24 0.935 11.307 2.773 1.00 23.13 H new ATOM 0 HD22 ASN A 24 0.646 13.048 2.856 1.00 23.13 H new ATOM 381 N GLU A 25 -3.393 15.664 4.653 1.00 65.23 N ATOM 382 CA GLU A 25 -4.303 16.580 5.351 1.00 15.43 C ATOM 383 C GLU A 25 -5.735 16.397 4.832 1.00 45.15 C ATOM 384 O GLU A 25 -6.640 16.228 5.638 1.00 73.21 O ATOM 385 CB GLU A 25 -3.812 18.065 5.245 1.00 20.21 C ATOM 386 CG GLU A 25 -4.913 19.136 5.155 1.00 63.23 C ATOM 387 CD GLU A 25 -4.368 20.576 5.220 1.00 41.23 C ATOM 388 OE1 GLU A 25 -3.757 21.034 4.234 1.00 15.04 O ATOM 389 OE2 GLU A 25 -4.560 21.262 6.244 1.00 50.51 O ATOM 0 H GLU A 25 -2.705 16.134 4.065 1.00 65.23 H new ATOM 0 HA GLU A 25 -4.303 16.334 6.413 1.00 15.43 H new ATOM 0 HB2 GLU A 25 -3.190 18.284 6.113 1.00 20.21 H new ATOM 0 HB3 GLU A 25 -3.174 18.154 4.366 1.00 20.21 H new ATOM 0 HG2 GLU A 25 -5.463 19.005 4.223 1.00 63.23 H new ATOM 0 HG3 GLU A 25 -5.623 18.986 5.968 1.00 63.23 H new ATOM 396 N CYS A 26 -5.910 16.364 3.490 1.00 62.42 N ATOM 397 CA CYS A 26 -7.239 16.180 2.852 1.00 32.12 C ATOM 398 C CYS A 26 -7.931 14.882 3.334 1.00 15.23 C ATOM 399 O CYS A 26 -9.117 14.900 3.695 1.00 63.01 O ATOM 400 CB CYS A 26 -7.101 16.200 1.319 1.00 32.34 C ATOM 401 SG CYS A 26 -6.588 17.800 0.654 1.00 5.30 S ATOM 0 H CYS A 26 -5.144 16.463 2.824 1.00 62.42 H new ATOM 0 HA CYS A 26 -7.876 17.012 3.154 1.00 32.12 H new ATOM 0 HB2 CYS A 26 -6.376 15.443 1.019 1.00 32.34 H new ATOM 0 HB3 CYS A 26 -8.056 15.921 0.874 1.00 32.34 H new ATOM 0 HG CYS A 26 -5.348 18.025 0.973 1.00 5.30 H new ATOM 407 N PHE A 27 -7.146 13.786 3.398 1.00 13.31 N ATOM 408 CA PHE A 27 -7.602 12.479 3.927 1.00 30.23 C ATOM 409 C PHE A 27 -8.088 12.632 5.389 1.00 31.13 C ATOM 410 O PHE A 27 -9.173 12.154 5.761 1.00 23.24 O ATOM 411 CB PHE A 27 -6.441 11.448 3.826 1.00 14.21 C ATOM 412 CG PHE A 27 -6.832 9.999 4.104 1.00 31.23 C ATOM 413 CD1 PHE A 27 -7.630 9.286 3.205 1.00 51.12 C ATOM 414 CD2 PHE A 27 -6.404 9.346 5.255 1.00 31.44 C ATOM 415 CE1 PHE A 27 -7.981 7.973 3.458 1.00 72.01 C ATOM 416 CE2 PHE A 27 -6.754 8.035 5.507 1.00 22.51 C ATOM 417 CZ PHE A 27 -7.545 7.346 4.610 1.00 32.32 C ATOM 0 H PHE A 27 -6.176 13.780 3.084 1.00 13.31 H new ATOM 0 HA PHE A 27 -8.442 12.118 3.334 1.00 30.23 H new ATOM 0 HB2 PHE A 27 -6.011 11.506 2.826 1.00 14.21 H new ATOM 0 HB3 PHE A 27 -5.658 11.737 4.527 1.00 14.21 H new ATOM 0 HD1 PHE A 27 -7.977 9.766 2.302 1.00 51.12 H new ATOM 0 HD2 PHE A 27 -5.786 9.875 5.965 1.00 31.44 H new ATOM 0 HE1 PHE A 27 -8.598 7.435 2.753 1.00 72.01 H new ATOM 0 HE2 PHE A 27 -6.409 7.548 6.407 1.00 22.51 H new ATOM 0 HZ PHE A 27 -7.822 6.321 4.807 1.00 32.32 H new ATOM 427 N GLN A 28 -7.288 13.381 6.176 1.00 31.13 N ATOM 428 CA GLN A 28 -7.577 13.703 7.584 1.00 22.22 C ATOM 429 C GLN A 28 -8.818 14.635 7.702 1.00 21.01 C ATOM 430 O GLN A 28 -9.476 14.653 8.745 1.00 51.53 O ATOM 431 CB GLN A 28 -6.309 14.345 8.245 1.00 13.41 C ATOM 432 CG GLN A 28 -6.463 14.804 9.717 1.00 43.22 C ATOM 433 CD GLN A 28 -6.743 13.662 10.702 1.00 0.22 C ATOM 434 OE1 GLN A 28 -5.824 13.061 11.257 1.00 13.04 O ATOM 435 NE2 GLN A 28 -8.009 13.350 10.926 1.00 31.24 N ATOM 0 H GLN A 28 -6.412 13.783 5.844 1.00 31.13 H new ATOM 0 HA GLN A 28 -7.819 12.784 8.118 1.00 22.22 H new ATOM 0 HB2 GLN A 28 -5.494 13.623 8.195 1.00 13.41 H new ATOM 0 HB3 GLN A 28 -6.010 15.206 7.647 1.00 13.41 H new ATOM 0 HG2 GLN A 28 -5.552 15.319 10.023 1.00 43.22 H new ATOM 0 HG3 GLN A 28 -7.275 15.529 9.777 1.00 43.22 H new ATOM 0 HE21 GLN A 28 -8.752 13.864 10.453 1.00 31.24 H new ATOM 0 HE22 GLN A 28 -8.242 12.596 11.572 1.00 31.24 H new ATOM 444 N LYS A 29 -9.189 15.365 6.608 1.00 4.24 N ATOM 445 CA LYS A 29 -10.408 16.220 6.621 1.00 13.04 C ATOM 446 C LYS A 29 -11.665 15.349 6.389 1.00 15.52 C ATOM 447 O LYS A 29 -12.786 15.871 6.347 1.00 51.03 O ATOM 448 CB LYS A 29 -10.343 17.374 5.561 1.00 62.54 C ATOM 449 CG LYS A 29 -9.004 18.143 5.469 1.00 10.23 C ATOM 450 CD LYS A 29 -8.479 18.777 6.790 1.00 54.42 C ATOM 451 CE LYS A 29 -9.038 20.184 7.083 1.00 42.14 C ATOM 452 NZ LYS A 29 -10.512 20.205 7.287 1.00 41.12 N ATOM 0 H LYS A 29 -8.673 15.377 5.728 1.00 4.24 H new ATOM 0 HA LYS A 29 -10.464 16.692 7.602 1.00 13.04 H new ATOM 0 HB2 LYS A 29 -10.563 16.951 4.581 1.00 62.54 H new ATOM 0 HB3 LYS A 29 -11.134 18.090 5.785 1.00 62.54 H new ATOM 0 HG2 LYS A 29 -8.243 17.460 5.091 1.00 10.23 H new ATOM 0 HG3 LYS A 29 -9.115 18.936 4.730 1.00 10.23 H new ATOM 0 HD2 LYS A 29 -8.731 18.118 7.621 1.00 54.42 H new ATOM 0 HD3 LYS A 29 -7.391 18.833 6.746 1.00 54.42 H new ATOM 0 HE2 LYS A 29 -8.550 20.582 7.973 1.00 42.14 H new ATOM 0 HE3 LYS A 29 -8.784 20.847 6.256 1.00 42.14 H new ATOM 0 HZ1 LYS A 29 -10.779 21.070 7.799 1.00 41.12 H new ATOM 0 HZ2 LYS A 29 -10.991 20.187 6.364 1.00 41.12 H new ATOM 0 HZ3 LYS A 29 -10.798 19.372 7.841 1.00 41.12 H new ATOM 466 N GLY A 30 -11.453 14.019 6.231 1.00 73.53 N ATOM 467 CA GLY A 30 -12.534 13.057 6.015 1.00 21.52 C ATOM 468 C GLY A 30 -12.805 12.829 4.542 1.00 11.54 C ATOM 469 O GLY A 30 -13.722 12.083 4.180 1.00 1.23 O ATOM 0 H GLY A 30 -10.525 13.595 6.252 1.00 73.53 H new ATOM 0 HA2 GLY A 30 -12.275 12.109 6.487 1.00 21.52 H new ATOM 0 HA3 GLY A 30 -13.442 13.417 6.499 1.00 21.52 H new ATOM 473 N ASP A 31 -11.994 13.476 3.688 1.00 21.51 N ATOM 474 CA ASP A 31 -12.195 13.497 2.235 1.00 23.21 C ATOM 475 C ASP A 31 -11.186 12.535 1.569 1.00 24.32 C ATOM 476 O ASP A 31 -10.025 12.895 1.328 1.00 22.10 O ATOM 477 CB ASP A 31 -12.062 14.962 1.700 1.00 43.02 C ATOM 478 CG ASP A 31 -12.755 15.180 0.339 1.00 33.11 C ATOM 479 OD1 ASP A 31 -12.349 14.552 -0.657 1.00 52.31 O ATOM 480 OD2 ASP A 31 -13.719 15.982 0.259 1.00 4.40 O ATOM 0 H ASP A 31 -11.175 14.002 3.992 1.00 21.51 H new ATOM 0 HA ASP A 31 -13.199 13.154 1.985 1.00 23.21 H new ATOM 0 HB2 ASP A 31 -12.489 15.649 2.431 1.00 43.02 H new ATOM 0 HB3 ASP A 31 -11.005 15.213 1.606 1.00 43.02 H new ATOM 485 N TYR A 32 -11.647 11.295 1.304 1.00 23.14 N ATOM 486 CA TYR A 32 -10.840 10.225 0.682 1.00 62.32 C ATOM 487 C TYR A 32 -10.451 10.560 -0.789 1.00 60.43 C ATOM 488 O TYR A 32 -9.267 10.438 -1.122 1.00 25.43 O ATOM 489 CB TYR A 32 -11.574 8.845 0.755 1.00 72.25 C ATOM 490 CG TYR A 32 -11.738 8.261 2.172 1.00 65.24 C ATOM 491 CD1 TYR A 32 -12.325 9.004 3.199 1.00 55.44 C ATOM 492 CD2 TYR A 32 -11.321 6.956 2.476 1.00 63.42 C ATOM 493 CE1 TYR A 32 -12.486 8.486 4.463 1.00 75.43 C ATOM 494 CE2 TYR A 32 -11.479 6.434 3.746 1.00 51.13 C ATOM 495 CZ TYR A 32 -12.065 7.201 4.738 1.00 11.32 C ATOM 496 OH TYR A 32 -12.230 6.685 6.007 1.00 21.51 O ATOM 0 H TYR A 32 -12.601 11.005 1.518 1.00 23.14 H new ATOM 0 HA TYR A 32 -9.916 10.156 1.257 1.00 62.32 H new ATOM 0 HB2 TYR A 32 -12.562 8.953 0.308 1.00 72.25 H new ATOM 0 HB3 TYR A 32 -11.025 8.127 0.145 1.00 72.25 H new ATOM 0 HD1 TYR A 32 -12.661 10.010 2.995 1.00 55.44 H new ATOM 0 HD2 TYR A 32 -10.869 6.350 1.705 1.00 63.42 H new ATOM 0 HE1 TYR A 32 -12.941 9.084 5.239 1.00 75.43 H new ATOM 0 HE2 TYR A 32 -11.146 5.430 3.964 1.00 51.13 H new ATOM 0 HH TYR A 32 -11.883 5.769 6.035 1.00 21.51 H new ATOM 506 N PRO A 33 -11.418 10.983 -1.709 1.00 61.02 N ATOM 507 CA PRO A 33 -11.075 11.271 -3.125 1.00 24.35 C ATOM 508 C PRO A 33 -9.959 12.331 -3.276 1.00 70.54 C ATOM 509 O PRO A 33 -8.927 12.047 -3.900 1.00 30.51 O ATOM 510 CB PRO A 33 -12.419 11.729 -3.763 1.00 1.15 C ATOM 511 CG PRO A 33 -13.305 12.079 -2.611 1.00 51.52 C ATOM 512 CD PRO A 33 -12.884 11.166 -1.481 1.00 24.25 C ATOM 0 HA PRO A 33 -10.659 10.395 -3.622 1.00 24.35 H new ATOM 0 HB2 PRO A 33 -12.270 12.586 -4.419 1.00 1.15 H new ATOM 0 HB3 PRO A 33 -12.857 10.936 -4.369 1.00 1.15 H new ATOM 0 HG2 PRO A 33 -13.190 13.126 -2.332 1.00 51.52 H new ATOM 0 HG3 PRO A 33 -14.355 11.930 -2.865 1.00 51.52 H new ATOM 0 HD2 PRO A 33 -13.086 11.613 -0.507 1.00 24.25 H new ATOM 0 HD3 PRO A 33 -13.417 10.216 -1.513 1.00 24.25 H new ATOM 520 N GLN A 34 -10.140 13.514 -2.642 1.00 42.14 N ATOM 521 CA GLN A 34 -9.223 14.673 -2.794 1.00 32.30 C ATOM 522 C GLN A 34 -7.788 14.324 -2.345 1.00 53.14 C ATOM 523 O GLN A 34 -6.794 14.805 -2.929 1.00 65.21 O ATOM 524 CB GLN A 34 -9.760 15.892 -1.997 1.00 55.41 C ATOM 525 CG GLN A 34 -9.142 17.251 -2.380 1.00 51.54 C ATOM 526 CD GLN A 34 -9.354 17.648 -3.849 1.00 53.31 C ATOM 527 OE1 GLN A 34 -8.495 18.272 -4.464 1.00 72.42 O ATOM 528 NE2 GLN A 34 -10.521 17.345 -4.407 1.00 43.02 N ATOM 0 H GLN A 34 -10.922 13.693 -2.013 1.00 42.14 H new ATOM 0 HA GLN A 34 -9.184 14.931 -3.852 1.00 32.30 H new ATOM 0 HB2 GLN A 34 -10.840 15.950 -2.136 1.00 55.41 H new ATOM 0 HB3 GLN A 34 -9.585 15.717 -0.935 1.00 55.41 H new ATOM 0 HG2 GLN A 34 -9.569 18.024 -1.741 1.00 51.54 H new ATOM 0 HG3 GLN A 34 -8.072 17.222 -2.174 1.00 51.54 H new ATOM 0 HE21 GLN A 34 -11.220 16.825 -3.877 1.00 43.02 H new ATOM 0 HE22 GLN A 34 -10.718 17.632 -5.366 1.00 43.02 H new ATOM 537 N ALA A 35 -7.706 13.460 -1.318 1.00 52.34 N ATOM 538 CA ALA A 35 -6.445 12.907 -0.831 1.00 40.42 C ATOM 539 C ALA A 35 -5.694 12.181 -1.957 1.00 32.13 C ATOM 540 O ALA A 35 -4.510 12.450 -2.180 1.00 1.35 O ATOM 541 CB ALA A 35 -6.706 11.948 0.331 1.00 14.32 C ATOM 0 H ALA A 35 -8.522 13.128 -0.804 1.00 52.34 H new ATOM 0 HA ALA A 35 -5.823 13.730 -0.481 1.00 40.42 H new ATOM 0 HB1 ALA A 35 -5.759 11.541 0.687 1.00 14.32 H new ATOM 0 HB2 ALA A 35 -7.198 12.485 1.142 1.00 14.32 H new ATOM 0 HB3 ALA A 35 -7.347 11.133 -0.006 1.00 14.32 H new ATOM 547 N MET A 36 -6.429 11.325 -2.717 1.00 42.22 N ATOM 548 CA MET A 36 -5.829 10.470 -3.767 1.00 51.34 C ATOM 549 C MET A 36 -5.341 11.339 -4.928 1.00 50.33 C ATOM 550 O MET A 36 -4.319 11.053 -5.539 1.00 62.14 O ATOM 551 CB MET A 36 -6.841 9.445 -4.330 1.00 33.41 C ATOM 552 CG MET A 36 -7.582 8.606 -3.298 1.00 2.11 C ATOM 553 SD MET A 36 -8.717 7.438 -4.077 1.00 64.14 S ATOM 554 CE MET A 36 -9.583 8.476 -5.269 1.00 61.02 C ATOM 0 H MET A 36 -7.438 11.212 -2.619 1.00 42.22 H new ATOM 0 HA MET A 36 -5.002 9.931 -3.305 1.00 51.34 H new ATOM 0 HB2 MET A 36 -7.577 9.981 -4.929 1.00 33.41 H new ATOM 0 HB3 MET A 36 -6.310 8.772 -5.004 1.00 33.41 H new ATOM 0 HG2 MET A 36 -6.862 8.061 -2.687 1.00 2.11 H new ATOM 0 HG3 MET A 36 -8.138 9.261 -2.627 1.00 2.11 H new ATOM 0 HE1 MET A 36 -10.645 8.230 -5.262 1.00 61.02 H new ATOM 0 HE2 MET A 36 -9.452 9.524 -5.001 1.00 61.02 H new ATOM 0 HE3 MET A 36 -9.177 8.302 -6.265 1.00 61.02 H new ATOM 564 N LYS A 37 -6.120 12.403 -5.208 1.00 71.04 N ATOM 565 CA LYS A 37 -5.824 13.387 -6.262 1.00 64.11 C ATOM 566 C LYS A 37 -4.500 14.098 -5.960 1.00 54.42 C ATOM 567 O LYS A 37 -3.657 14.269 -6.852 1.00 23.11 O ATOM 568 CB LYS A 37 -6.986 14.412 -6.362 1.00 44.32 C ATOM 569 CG LYS A 37 -8.361 13.765 -6.606 1.00 70.44 C ATOM 570 CD LYS A 37 -9.515 14.787 -6.668 1.00 62.52 C ATOM 571 CE LYS A 37 -10.891 14.102 -6.710 1.00 22.12 C ATOM 572 NZ LYS A 37 -11.036 13.198 -7.886 1.00 35.44 N ATOM 0 H LYS A 37 -6.982 12.603 -4.701 1.00 71.04 H new ATOM 0 HA LYS A 37 -5.727 12.874 -7.219 1.00 64.11 H new ATOM 0 HB2 LYS A 37 -7.026 14.994 -5.441 1.00 44.32 H new ATOM 0 HB3 LYS A 37 -6.774 15.111 -7.171 1.00 44.32 H new ATOM 0 HG2 LYS A 37 -8.330 13.205 -7.541 1.00 70.44 H new ATOM 0 HG3 LYS A 37 -8.563 13.047 -5.811 1.00 70.44 H new ATOM 0 HD2 LYS A 37 -9.464 15.444 -5.800 1.00 62.52 H new ATOM 0 HD3 LYS A 37 -9.396 15.415 -7.551 1.00 62.52 H new ATOM 0 HE2 LYS A 37 -11.038 13.530 -5.794 1.00 22.12 H new ATOM 0 HE3 LYS A 37 -11.672 14.862 -6.740 1.00 22.12 H new ATOM 0 HZ1 LYS A 37 -12.001 12.812 -7.910 1.00 35.44 H new ATOM 0 HZ2 LYS A 37 -10.856 13.733 -8.759 1.00 35.44 H new ATOM 0 HZ3 LYS A 37 -10.353 12.418 -7.810 1.00 35.44 H new ATOM 586 N HIS A 38 -4.322 14.472 -4.673 1.00 32.22 N ATOM 587 CA HIS A 38 -3.071 15.086 -4.190 1.00 0.03 C ATOM 588 C HIS A 38 -1.913 14.076 -4.128 1.00 10.44 C ATOM 589 O HIS A 38 -0.753 14.480 -4.202 1.00 25.04 O ATOM 590 CB HIS A 38 -3.272 15.775 -2.828 1.00 23.33 C ATOM 591 CG HIS A 38 -4.111 17.014 -2.895 1.00 3.13 C ATOM 592 ND1 HIS A 38 -5.306 17.154 -2.238 1.00 75.21 N ATOM 593 CD2 HIS A 38 -3.917 18.174 -3.561 1.00 72.21 C ATOM 594 CE1 HIS A 38 -5.798 18.344 -2.486 1.00 33.33 C ATOM 595 NE2 HIS A 38 -4.982 18.983 -3.286 1.00 62.51 N ATOM 0 H HIS A 38 -5.033 14.358 -3.951 1.00 32.22 H new ATOM 0 HA HIS A 38 -2.796 15.849 -4.918 1.00 0.03 H new ATOM 0 HB2 HIS A 38 -3.737 15.069 -2.140 1.00 23.33 H new ATOM 0 HB3 HIS A 38 -2.297 16.030 -2.413 1.00 23.33 H new ATOM 0 HD1 HIS A 38 -5.743 16.445 -1.649 1.00 75.21 H new ATOM 0 HD2 HIS A 38 -3.076 18.416 -4.193 1.00 72.21 H new ATOM 0 HE1 HIS A 38 -6.726 18.734 -2.094 1.00 33.33 H new ATOM 604 N TYR A 39 -2.222 12.773 -3.988 1.00 43.13 N ATOM 605 CA TYR A 39 -1.192 11.711 -4.045 1.00 65.55 C ATOM 606 C TYR A 39 -0.756 11.464 -5.495 1.00 40.22 C ATOM 607 O TYR A 39 0.413 11.210 -5.748 1.00 43.02 O ATOM 608 CB TYR A 39 -1.685 10.385 -3.400 1.00 51.02 C ATOM 609 CG TYR A 39 -2.051 10.482 -1.908 1.00 33.55 C ATOM 610 CD1 TYR A 39 -1.378 11.357 -1.048 1.00 41.24 C ATOM 611 CD2 TYR A 39 -3.084 9.710 -1.364 1.00 22.34 C ATOM 612 CE1 TYR A 39 -1.723 11.459 0.283 1.00 34.25 C ATOM 613 CE2 TYR A 39 -3.434 9.818 -0.033 1.00 42.34 C ATOM 614 CZ TYR A 39 -2.755 10.689 0.787 1.00 15.20 C ATOM 615 OH TYR A 39 -3.111 10.790 2.118 1.00 75.42 O ATOM 0 H TYR A 39 -3.170 12.429 -3.835 1.00 43.13 H new ATOM 0 HA TYR A 39 -0.336 12.059 -3.467 1.00 65.55 H new ATOM 0 HB2 TYR A 39 -2.558 10.034 -3.950 1.00 51.02 H new ATOM 0 HB3 TYR A 39 -0.908 9.630 -3.519 1.00 51.02 H new ATOM 0 HD1 TYR A 39 -0.573 11.964 -1.434 1.00 41.24 H new ATOM 0 HD2 TYR A 39 -3.617 9.017 -1.997 1.00 22.34 H new ATOM 0 HE1 TYR A 39 -1.189 12.139 0.930 1.00 34.25 H new ATOM 0 HE2 TYR A 39 -4.240 9.219 0.364 1.00 42.34 H new ATOM 0 HH TYR A 39 -3.855 10.180 2.305 1.00 75.42 H new ATOM 625 N THR A 40 -1.705 11.577 -6.440 1.00 32.21 N ATOM 626 CA THR A 40 -1.448 11.332 -7.870 1.00 44.34 C ATOM 627 C THR A 40 -0.514 12.415 -8.444 1.00 2.22 C ATOM 628 O THR A 40 0.410 12.120 -9.203 1.00 3.44 O ATOM 629 CB THR A 40 -2.780 11.286 -8.692 1.00 1.31 C ATOM 630 OG1 THR A 40 -3.676 10.319 -8.118 1.00 70.43 O ATOM 631 CG2 THR A 40 -2.537 10.922 -10.169 1.00 64.51 C ATOM 0 H THR A 40 -2.669 11.840 -6.235 1.00 32.21 H new ATOM 0 HA THR A 40 -0.963 10.360 -7.955 1.00 44.34 H new ATOM 0 HB THR A 40 -3.217 12.284 -8.653 1.00 1.31 H new ATOM 0 HG1 THR A 40 -4.025 10.660 -7.268 1.00 70.43 H new ATOM 0 HG21 THR A 40 -3.489 10.902 -10.700 1.00 64.51 H new ATOM 0 HG22 THR A 40 -1.883 11.666 -10.624 1.00 64.51 H new ATOM 0 HG23 THR A 40 -2.067 9.940 -10.229 1.00 64.51 H new ATOM 639 N GLU A 41 -0.764 13.676 -8.057 1.00 10.24 N ATOM 640 CA GLU A 41 0.094 14.808 -8.444 1.00 2.01 C ATOM 641 C GLU A 41 1.402 14.808 -7.620 1.00 61.54 C ATOM 642 O GLU A 41 2.433 15.297 -8.095 1.00 60.31 O ATOM 643 CB GLU A 41 -0.679 16.144 -8.313 1.00 35.14 C ATOM 644 CG GLU A 41 -1.124 16.479 -6.885 1.00 52.21 C ATOM 645 CD GLU A 41 -1.933 17.777 -6.775 1.00 73.12 C ATOM 646 OE1 GLU A 41 -1.324 18.869 -6.728 1.00 20.22 O ATOM 647 OE2 GLU A 41 -3.178 17.720 -6.740 1.00 1.44 O ATOM 0 H GLU A 41 -1.558 13.938 -7.473 1.00 10.24 H new ATOM 0 HA GLU A 41 0.374 14.697 -9.491 1.00 2.01 H new ATOM 0 HB2 GLU A 41 -0.049 16.952 -8.684 1.00 35.14 H new ATOM 0 HB3 GLU A 41 -1.559 16.106 -8.955 1.00 35.14 H new ATOM 0 HG2 GLU A 41 -1.724 15.655 -6.499 1.00 52.21 H new ATOM 0 HG3 GLU A 41 -0.242 16.557 -6.249 1.00 52.21 H new ATOM 654 N ALA A 42 1.357 14.238 -6.392 1.00 22.52 N ATOM 655 CA ALA A 42 2.570 13.996 -5.582 1.00 65.03 C ATOM 656 C ALA A 42 3.454 12.914 -6.239 1.00 62.05 C ATOM 657 O ALA A 42 4.658 12.923 -6.074 1.00 53.43 O ATOM 658 CB ALA A 42 2.207 13.611 -4.139 1.00 71.02 C ATOM 0 H ALA A 42 0.492 13.938 -5.943 1.00 22.52 H new ATOM 0 HA ALA A 42 3.140 14.924 -5.541 1.00 65.03 H new ATOM 0 HB1 ALA A 42 3.119 13.439 -3.568 1.00 71.02 H new ATOM 0 HB2 ALA A 42 1.638 14.419 -3.679 1.00 71.02 H new ATOM 0 HB3 ALA A 42 1.606 12.702 -4.145 1.00 71.02 H new ATOM 664 N ILE A 43 2.828 12.008 -7.009 1.00 5.30 N ATOM 665 CA ILE A 43 3.528 10.965 -7.792 1.00 70.11 C ATOM 666 C ILE A 43 4.336 11.608 -8.958 1.00 44.55 C ATOM 667 O ILE A 43 5.344 11.058 -9.402 1.00 21.12 O ATOM 668 CB ILE A 43 2.484 9.855 -8.296 1.00 4.41 C ATOM 669 CG1 ILE A 43 2.548 8.562 -7.422 1.00 23.24 C ATOM 670 CG2 ILE A 43 2.618 9.494 -9.797 1.00 42.24 C ATOM 671 CD1 ILE A 43 2.127 8.710 -5.970 1.00 50.45 C ATOM 0 H ILE A 43 1.813 11.975 -7.109 1.00 5.30 H new ATOM 0 HA ILE A 43 4.251 10.456 -7.154 1.00 70.11 H new ATOM 0 HB ILE A 43 1.505 10.319 -8.176 1.00 4.41 H new ATOM 0 HG12 ILE A 43 1.917 7.804 -7.886 1.00 23.24 H new ATOM 0 HG13 ILE A 43 3.570 8.184 -7.445 1.00 23.24 H new ATOM 0 HG21 ILE A 43 1.877 8.738 -10.057 1.00 42.24 H new ATOM 0 HG22 ILE A 43 2.454 10.386 -10.402 1.00 42.24 H new ATOM 0 HG23 ILE A 43 3.617 9.104 -9.990 1.00 42.24 H new ATOM 0 HD11 ILE A 43 2.214 7.747 -5.466 1.00 50.45 H new ATOM 0 HD12 ILE A 43 2.772 9.437 -5.477 1.00 50.45 H new ATOM 0 HD13 ILE A 43 1.093 9.052 -5.924 1.00 50.45 H new ATOM 683 N LYS A 44 3.888 12.786 -9.428 1.00 73.11 N ATOM 684 CA LYS A 44 4.587 13.542 -10.500 1.00 34.33 C ATOM 685 C LYS A 44 5.802 14.291 -9.908 1.00 0.11 C ATOM 686 O LYS A 44 6.825 14.475 -10.574 1.00 11.33 O ATOM 687 CB LYS A 44 3.623 14.563 -11.174 1.00 52.10 C ATOM 688 CG LYS A 44 2.198 14.041 -11.442 1.00 31.54 C ATOM 689 CD LYS A 44 2.136 12.833 -12.399 1.00 23.30 C ATOM 690 CE LYS A 44 0.718 12.251 -12.479 1.00 42.12 C ATOM 691 NZ LYS A 44 0.614 11.150 -13.472 1.00 62.32 N ATOM 0 H LYS A 44 3.042 13.242 -9.085 1.00 73.11 H new ATOM 0 HA LYS A 44 4.927 12.833 -11.254 1.00 34.33 H new ATOM 0 HB2 LYS A 44 3.556 15.448 -10.541 1.00 52.10 H new ATOM 0 HB3 LYS A 44 4.060 14.881 -12.120 1.00 52.10 H new ATOM 0 HG2 LYS A 44 1.741 13.762 -10.493 1.00 31.54 H new ATOM 0 HG3 LYS A 44 1.599 14.851 -11.858 1.00 31.54 H new ATOM 0 HD2 LYS A 44 2.462 13.138 -13.393 1.00 23.30 H new ATOM 0 HD3 LYS A 44 2.828 12.062 -12.059 1.00 23.30 H new ATOM 0 HE2 LYS A 44 0.424 11.880 -11.497 1.00 42.12 H new ATOM 0 HE3 LYS A 44 0.017 13.043 -12.743 1.00 42.12 H new ATOM 0 HZ1 LYS A 44 -0.361 10.790 -13.490 1.00 62.32 H new ATOM 0 HZ2 LYS A 44 0.868 11.508 -14.415 1.00 62.32 H new ATOM 0 HZ3 LYS A 44 1.262 10.381 -13.207 1.00 62.32 H new ATOM 705 N ARG A 45 5.643 14.733 -8.645 1.00 72.40 N ATOM 706 CA ARG A 45 6.645 15.515 -7.902 1.00 14.32 C ATOM 707 C ARG A 45 7.780 14.604 -7.383 1.00 44.04 C ATOM 708 O ARG A 45 8.963 14.858 -7.638 1.00 50.34 O ATOM 709 CB ARG A 45 5.952 16.259 -6.728 1.00 63.15 C ATOM 710 CG ARG A 45 4.853 17.257 -7.149 1.00 21.04 C ATOM 711 CD ARG A 45 5.390 18.442 -7.968 1.00 52.11 C ATOM 712 NE ARG A 45 4.310 19.373 -8.340 1.00 31.41 N ATOM 713 CZ ARG A 45 4.249 20.101 -9.468 1.00 13.50 C ATOM 714 NH1 ARG A 45 5.211 20.033 -10.388 1.00 51.22 N ATOM 715 NH2 ARG A 45 3.202 20.888 -9.682 1.00 33.21 N ATOM 0 H ARG A 45 4.797 14.552 -8.104 1.00 72.40 H new ATOM 0 HA ARG A 45 7.093 16.248 -8.573 1.00 14.32 H new ATOM 0 HB2 ARG A 45 5.514 15.520 -6.057 1.00 63.15 H new ATOM 0 HB3 ARG A 45 6.711 16.796 -6.159 1.00 63.15 H new ATOM 0 HG2 ARG A 45 4.099 16.731 -7.735 1.00 21.04 H new ATOM 0 HG3 ARG A 45 4.355 17.637 -6.257 1.00 21.04 H new ATOM 0 HD2 ARG A 45 6.146 18.973 -7.390 1.00 52.11 H new ATOM 0 HD3 ARG A 45 5.879 18.071 -8.869 1.00 52.11 H new ATOM 0 HE ARG A 45 3.538 19.474 -7.681 1.00 31.41 H new ATOM 0 HH11 ARG A 45 6.013 19.420 -10.243 1.00 51.22 H new ATOM 0 HH12 ARG A 45 5.145 20.594 -11.237 1.00 51.22 H new ATOM 0 HH21 ARG A 45 2.452 20.937 -8.993 1.00 33.21 H new ATOM 0 HH22 ARG A 45 3.148 21.444 -10.535 1.00 33.21 H new ATOM 729 N ASN A 46 7.397 13.542 -6.659 1.00 23.35 N ATOM 730 CA ASN A 46 8.329 12.527 -6.123 1.00 2.14 C ATOM 731 C ASN A 46 7.873 11.091 -6.510 1.00 31.21 C ATOM 732 O ASN A 46 7.225 10.396 -5.722 1.00 22.23 O ATOM 733 CB ASN A 46 8.552 12.703 -4.575 1.00 42.34 C ATOM 734 CG ASN A 46 7.306 12.962 -3.696 1.00 4.22 C ATOM 735 OD1 ASN A 46 7.384 13.721 -2.735 1.00 71.31 O ATOM 736 ND2 ASN A 46 6.183 12.311 -3.948 1.00 23.32 N ATOM 0 H ASN A 46 6.422 13.358 -6.424 1.00 23.35 H new ATOM 0 HA ASN A 46 9.303 12.683 -6.587 1.00 2.14 H new ATOM 0 HB2 ASN A 46 9.045 11.805 -4.203 1.00 42.34 H new ATOM 0 HB3 ASN A 46 9.245 13.531 -4.428 1.00 42.34 H new ATOM 0 HD21 ASN A 46 5.373 12.438 -3.341 1.00 23.32 H new ATOM 0 HD22 ASN A 46 6.127 11.682 -4.749 1.00 23.32 H new ATOM 743 N PRO A 47 8.223 10.617 -7.756 1.00 11.04 N ATOM 744 CA PRO A 47 7.848 9.259 -8.243 1.00 61.50 C ATOM 745 C PRO A 47 8.693 8.122 -7.625 1.00 32.30 C ATOM 746 O PRO A 47 8.573 6.975 -8.041 1.00 0.10 O ATOM 747 CB PRO A 47 8.105 9.372 -9.764 1.00 44.51 C ATOM 748 CG PRO A 47 9.264 10.308 -9.858 1.00 44.33 C ATOM 749 CD PRO A 47 9.000 11.361 -8.800 1.00 64.42 C ATOM 0 HA PRO A 47 6.826 8.996 -7.971 1.00 61.50 H new ATOM 0 HB2 PRO A 47 8.337 8.402 -10.204 1.00 44.51 H new ATOM 0 HB3 PRO A 47 7.233 9.760 -10.290 1.00 44.51 H new ATOM 0 HG2 PRO A 47 10.206 9.791 -9.675 1.00 44.33 H new ATOM 0 HG3 PRO A 47 9.333 10.753 -10.850 1.00 44.33 H new ATOM 0 HD2 PRO A 47 9.928 11.767 -8.397 1.00 64.42 H new ATOM 0 HD3 PRO A 47 8.432 12.200 -9.201 1.00 64.42 H new ATOM 757 N LYS A 48 9.562 8.456 -6.658 1.00 50.14 N ATOM 758 CA LYS A 48 10.408 7.473 -5.955 1.00 73.00 C ATOM 759 C LYS A 48 9.772 7.084 -4.611 1.00 13.43 C ATOM 760 O LYS A 48 9.943 5.947 -4.143 1.00 42.22 O ATOM 761 CB LYS A 48 11.848 8.033 -5.716 1.00 35.21 C ATOM 762 CG LYS A 48 12.668 8.326 -6.997 1.00 71.41 C ATOM 763 CD LYS A 48 12.327 9.674 -7.655 1.00 75.42 C ATOM 764 CE LYS A 48 13.137 9.905 -8.941 1.00 23.01 C ATOM 765 NZ LYS A 48 12.934 8.817 -9.941 1.00 74.41 N ATOM 0 H LYS A 48 9.700 9.415 -6.340 1.00 50.14 H new ATOM 0 HA LYS A 48 10.484 6.588 -6.587 1.00 73.00 H new ATOM 0 HB2 LYS A 48 11.770 8.953 -5.137 1.00 35.21 H new ATOM 0 HB3 LYS A 48 12.401 7.318 -5.107 1.00 35.21 H new ATOM 0 HG2 LYS A 48 13.729 8.311 -6.750 1.00 71.41 H new ATOM 0 HG3 LYS A 48 12.497 7.526 -7.718 1.00 71.41 H new ATOM 0 HD2 LYS A 48 11.262 9.706 -7.886 1.00 75.42 H new ATOM 0 HD3 LYS A 48 12.525 10.482 -6.951 1.00 75.42 H new ATOM 0 HE2 LYS A 48 12.850 10.859 -9.382 1.00 23.01 H new ATOM 0 HE3 LYS A 48 14.196 9.975 -8.693 1.00 23.01 H new ATOM 0 HZ1 LYS A 48 13.173 9.169 -10.890 1.00 74.41 H new ATOM 0 HZ2 LYS A 48 13.547 8.011 -9.706 1.00 74.41 H new ATOM 0 HZ3 LYS A 48 11.940 8.512 -9.925 1.00 74.41 H new ATOM 779 N ASP A 49 9.038 8.035 -4.007 1.00 23.33 N ATOM 780 CA ASP A 49 8.512 7.909 -2.635 1.00 4.42 C ATOM 781 C ASP A 49 7.402 6.850 -2.526 1.00 62.04 C ATOM 782 O ASP A 49 6.225 7.148 -2.711 1.00 53.23 O ATOM 783 CB ASP A 49 8.040 9.299 -2.092 1.00 42.35 C ATOM 784 CG ASP A 49 9.166 10.105 -1.422 1.00 34.43 C ATOM 785 OD1 ASP A 49 9.946 9.506 -0.650 1.00 35.24 O ATOM 786 OD2 ASP A 49 9.241 11.328 -1.599 1.00 53.25 O ATOM 0 H ASP A 49 8.792 8.916 -4.458 1.00 23.33 H new ATOM 0 HA ASP A 49 9.330 7.559 -2.006 1.00 4.42 H new ATOM 0 HB2 ASP A 49 7.626 9.881 -2.915 1.00 42.35 H new ATOM 0 HB3 ASP A 49 7.235 9.146 -1.373 1.00 42.35 H new ATOM 791 N ALA A 50 7.821 5.617 -2.179 1.00 72.22 N ATOM 792 CA ALA A 50 6.957 4.429 -2.081 1.00 42.42 C ATOM 793 C ALA A 50 5.866 4.572 -0.997 1.00 62.13 C ATOM 794 O ALA A 50 4.871 3.849 -1.034 1.00 71.41 O ATOM 795 CB ALA A 50 7.829 3.186 -1.830 1.00 13.03 C ATOM 0 H ALA A 50 8.796 5.417 -1.954 1.00 72.22 H new ATOM 0 HA ALA A 50 6.427 4.320 -3.027 1.00 42.42 H new ATOM 0 HB1 ALA A 50 7.193 2.304 -1.757 1.00 13.03 H new ATOM 0 HB2 ALA A 50 8.530 3.060 -2.655 1.00 13.03 H new ATOM 0 HB3 ALA A 50 8.383 3.312 -0.900 1.00 13.03 H new ATOM 801 N LYS A 51 6.063 5.498 -0.030 1.00 70.32 N ATOM 802 CA LYS A 51 5.054 5.764 1.022 1.00 71.34 C ATOM 803 C LYS A 51 3.833 6.503 0.450 1.00 14.13 C ATOM 804 O LYS A 51 2.725 6.337 0.948 1.00 2.22 O ATOM 805 CB LYS A 51 5.630 6.537 2.246 1.00 2.30 C ATOM 806 CG LYS A 51 6.026 8.015 2.007 1.00 23.14 C ATOM 807 CD LYS A 51 7.423 8.187 1.376 1.00 23.44 C ATOM 808 CE LYS A 51 8.552 7.688 2.294 1.00 31.23 C ATOM 809 NZ LYS A 51 9.894 7.885 1.681 1.00 42.41 N ATOM 0 H LYS A 51 6.905 6.070 0.044 1.00 70.32 H new ATOM 0 HA LYS A 51 4.739 4.786 1.386 1.00 71.34 H new ATOM 0 HB2 LYS A 51 4.891 6.507 3.047 1.00 2.30 H new ATOM 0 HB3 LYS A 51 6.510 6.002 2.604 1.00 2.30 H new ATOM 0 HG2 LYS A 51 5.284 8.481 1.358 1.00 23.14 H new ATOM 0 HG3 LYS A 51 5.998 8.548 2.957 1.00 23.14 H new ATOM 0 HD2 LYS A 51 7.461 7.644 0.432 1.00 23.44 H new ATOM 0 HD3 LYS A 51 7.586 9.240 1.145 1.00 23.44 H new ATOM 0 HE2 LYS A 51 8.507 8.217 3.246 1.00 31.23 H new ATOM 0 HE3 LYS A 51 8.403 6.630 2.510 1.00 31.23 H new ATOM 0 HZ1 LYS A 51 10.282 6.965 1.391 1.00 42.41 H new ATOM 0 HZ2 LYS A 51 9.808 8.502 0.848 1.00 42.41 H new ATOM 0 HZ3 LYS A 51 10.531 8.326 2.375 1.00 42.41 H new ATOM 823 N LEU A 52 4.057 7.320 -0.603 1.00 62.05 N ATOM 824 CA LEU A 52 2.965 7.989 -1.345 1.00 64.53 C ATOM 825 C LEU A 52 2.079 6.931 -2.027 1.00 73.34 C ATOM 826 O LEU A 52 0.860 7.054 -2.034 1.00 24.22 O ATOM 827 CB LEU A 52 3.533 9.015 -2.385 1.00 25.25 C ATOM 828 CG LEU A 52 3.748 10.481 -1.874 1.00 64.00 C ATOM 829 CD1 LEU A 52 2.399 11.142 -1.501 1.00 23.31 C ATOM 830 CD2 LEU A 52 4.754 10.552 -0.694 1.00 4.50 C ATOM 0 H LEU A 52 4.989 7.533 -0.959 1.00 62.05 H new ATOM 0 HA LEU A 52 2.354 8.553 -0.640 1.00 64.53 H new ATOM 0 HB2 LEU A 52 4.488 8.637 -2.750 1.00 25.25 H new ATOM 0 HB3 LEU A 52 2.855 9.047 -3.238 1.00 25.25 H new ATOM 0 HG LEU A 52 4.188 11.045 -2.697 1.00 64.00 H new ATOM 0 HD11 LEU A 52 2.577 12.158 -1.150 1.00 23.31 H new ATOM 0 HD12 LEU A 52 1.752 11.169 -2.378 1.00 23.31 H new ATOM 0 HD13 LEU A 52 1.917 10.565 -0.712 1.00 23.31 H new ATOM 0 HD21 LEU A 52 4.869 11.588 -0.376 1.00 4.50 H new ATOM 0 HD22 LEU A 52 4.381 9.956 0.139 1.00 4.50 H new ATOM 0 HD23 LEU A 52 5.720 10.162 -1.015 1.00 4.50 H new ATOM 842 N TYR A 53 2.736 5.888 -2.550 1.00 63.10 N ATOM 843 CA TYR A 53 2.091 4.762 -3.244 1.00 1.11 C ATOM 844 C TYR A 53 1.307 3.867 -2.272 1.00 52.23 C ATOM 845 O TYR A 53 0.142 3.613 -2.489 1.00 41.02 O ATOM 846 CB TYR A 53 3.154 3.925 -3.987 1.00 1.30 C ATOM 847 CG TYR A 53 3.824 4.662 -5.151 1.00 32.34 C ATOM 848 CD1 TYR A 53 4.776 5.647 -4.920 1.00 1.02 C ATOM 849 CD2 TYR A 53 3.493 4.385 -6.473 1.00 35.30 C ATOM 850 CE1 TYR A 53 5.377 6.331 -5.950 1.00 42.31 C ATOM 851 CE2 TYR A 53 4.093 5.064 -7.506 1.00 32.41 C ATOM 852 CZ TYR A 53 5.029 6.036 -7.245 1.00 24.41 C ATOM 853 OH TYR A 53 5.629 6.703 -8.288 1.00 55.51 O ATOM 0 H TYR A 53 3.751 5.800 -2.503 1.00 63.10 H new ATOM 0 HA TYR A 53 1.382 5.176 -3.961 1.00 1.11 H new ATOM 0 HB2 TYR A 53 3.921 3.616 -3.276 1.00 1.30 H new ATOM 0 HB3 TYR A 53 2.686 3.016 -4.366 1.00 1.30 H new ATOM 0 HD1 TYR A 53 5.052 5.882 -3.903 1.00 1.02 H new ATOM 0 HD2 TYR A 53 2.755 3.627 -6.690 1.00 35.30 H new ATOM 0 HE1 TYR A 53 6.115 7.092 -5.743 1.00 42.31 H new ATOM 0 HE2 TYR A 53 3.828 4.833 -8.527 1.00 32.41 H new ATOM 0 HH TYR A 53 6.603 6.642 -8.199 1.00 55.51 H new ATOM 863 N SER A 54 1.956 3.414 -1.188 1.00 21.41 N ATOM 864 CA SER A 54 1.330 2.499 -0.206 1.00 33.44 C ATOM 865 C SER A 54 0.088 3.146 0.450 1.00 14.24 C ATOM 866 O SER A 54 -0.891 2.464 0.755 1.00 43.42 O ATOM 867 CB SER A 54 2.357 2.099 0.869 1.00 30.43 C ATOM 868 OG SER A 54 2.798 3.230 1.602 1.00 12.42 O ATOM 0 H SER A 54 2.919 3.665 -0.964 1.00 21.41 H new ATOM 0 HA SER A 54 1.000 1.605 -0.735 1.00 33.44 H new ATOM 0 HB2 SER A 54 1.912 1.373 1.549 1.00 30.43 H new ATOM 0 HB3 SER A 54 3.211 1.612 0.397 1.00 30.43 H new ATOM 0 HG SER A 54 2.630 4.043 1.081 1.00 12.42 H new ATOM 874 N ASN A 55 0.165 4.479 0.634 1.00 41.13 N ATOM 875 CA ASN A 55 -0.913 5.308 1.213 1.00 53.21 C ATOM 876 C ASN A 55 -2.040 5.568 0.181 1.00 51.21 C ATOM 877 O ASN A 55 -3.223 5.613 0.534 1.00 1.54 O ATOM 878 CB ASN A 55 -0.283 6.635 1.722 1.00 40.43 C ATOM 879 CG ASN A 55 -1.240 7.612 2.411 1.00 45.14 C ATOM 880 OD1 ASN A 55 -2.271 7.236 2.959 1.00 31.51 O ATOM 881 ND2 ASN A 55 -0.871 8.879 2.413 1.00 1.24 N ATOM 0 H ASN A 55 0.992 5.020 0.380 1.00 41.13 H new ATOM 0 HA ASN A 55 -1.378 4.782 2.047 1.00 53.21 H new ATOM 0 HB2 ASN A 55 0.518 6.390 2.419 1.00 40.43 H new ATOM 0 HB3 ASN A 55 0.177 7.144 0.875 1.00 40.43 H new ATOM 0 HD21 ASN A 55 -1.449 9.578 2.880 1.00 1.24 H new ATOM 0 HD22 ASN A 55 -0.008 9.159 1.948 1.00 1.24 H new ATOM 888 N ARG A 56 -1.649 5.709 -1.099 1.00 74.14 N ATOM 889 CA ARG A 56 -2.578 5.938 -2.231 1.00 62.15 C ATOM 890 C ARG A 56 -3.413 4.664 -2.483 1.00 72.33 C ATOM 891 O ARG A 56 -4.640 4.713 -2.596 1.00 64.32 O ATOM 892 CB ARG A 56 -1.746 6.325 -3.488 1.00 42.13 C ATOM 893 CG ARG A 56 -2.542 6.866 -4.691 1.00 55.42 C ATOM 894 CD ARG A 56 -1.616 7.231 -5.875 1.00 23.20 C ATOM 895 NE ARG A 56 -2.364 7.738 -7.041 1.00 22.42 N ATOM 896 CZ ARG A 56 -2.283 7.252 -8.292 1.00 40.14 C ATOM 897 NH1 ARG A 56 -1.501 6.222 -8.579 1.00 24.45 N ATOM 898 NH2 ARG A 56 -3.033 7.787 -9.246 1.00 35.53 N ATOM 0 H ARG A 56 -0.670 5.667 -1.384 1.00 74.14 H new ATOM 0 HA ARG A 56 -3.268 6.750 -2.001 1.00 62.15 H new ATOM 0 HB2 ARG A 56 -1.014 7.077 -3.196 1.00 42.13 H new ATOM 0 HB3 ARG A 56 -1.188 5.447 -3.813 1.00 42.13 H new ATOM 0 HG2 ARG A 56 -3.267 6.118 -5.013 1.00 55.42 H new ATOM 0 HG3 ARG A 56 -3.107 7.747 -4.386 1.00 55.42 H new ATOM 0 HD2 ARG A 56 -0.898 7.985 -5.552 1.00 23.20 H new ATOM 0 HD3 ARG A 56 -1.043 6.351 -6.169 1.00 23.20 H new ATOM 0 HE ARG A 56 -2.996 8.523 -6.885 1.00 22.42 H new ATOM 0 HH11 ARG A 56 -0.946 5.783 -7.844 1.00 24.45 H new ATOM 0 HH12 ARG A 56 -1.454 5.868 -9.535 1.00 24.45 H new ATOM 0 HH21 ARG A 56 -3.663 8.559 -9.027 1.00 35.53 H new ATOM 0 HH22 ARG A 56 -2.980 7.427 -10.199 1.00 35.53 H new ATOM 912 N ALA A 57 -2.701 3.531 -2.548 1.00 20.31 N ATOM 913 CA ALA A 57 -3.277 2.182 -2.624 1.00 1.22 C ATOM 914 C ALA A 57 -4.141 1.870 -1.387 1.00 42.34 C ATOM 915 O ALA A 57 -5.170 1.205 -1.504 1.00 25.03 O ATOM 916 CB ALA A 57 -2.149 1.147 -2.782 1.00 32.23 C ATOM 0 H ALA A 57 -1.681 3.528 -2.549 1.00 20.31 H new ATOM 0 HA ALA A 57 -3.931 2.132 -3.495 1.00 1.22 H new ATOM 0 HB1 ALA A 57 -2.578 0.147 -2.838 1.00 32.23 H new ATOM 0 HB2 ALA A 57 -1.591 1.354 -3.695 1.00 32.23 H new ATOM 0 HB3 ALA A 57 -1.478 1.206 -1.925 1.00 32.23 H new ATOM 922 N ALA A 58 -3.709 2.366 -0.206 1.00 35.43 N ATOM 923 CA ALA A 58 -4.465 2.222 1.057 1.00 71.21 C ATOM 924 C ALA A 58 -5.805 2.971 1.011 1.00 51.22 C ATOM 925 O ALA A 58 -6.773 2.549 1.645 1.00 23.13 O ATOM 926 CB ALA A 58 -3.632 2.695 2.251 1.00 0.21 C ATOM 0 H ALA A 58 -2.831 2.875 -0.102 1.00 35.43 H new ATOM 0 HA ALA A 58 -4.682 1.161 1.180 1.00 71.21 H new ATOM 0 HB1 ALA A 58 -4.211 2.579 3.167 1.00 0.21 H new ATOM 0 HB2 ALA A 58 -2.722 2.099 2.319 1.00 0.21 H new ATOM 0 HB3 ALA A 58 -3.369 3.745 2.119 1.00 0.21 H new ATOM 932 N CYS A 59 -5.851 4.082 0.268 1.00 41.12 N ATOM 933 CA CYS A 59 -7.107 4.795 -0.002 1.00 12.23 C ATOM 934 C CYS A 59 -7.978 3.968 -0.984 1.00 62.23 C ATOM 935 O CYS A 59 -9.164 3.727 -0.719 1.00 11.42 O ATOM 936 CB CYS A 59 -6.800 6.200 -0.561 1.00 34.23 C ATOM 937 SG CYS A 59 -5.842 7.244 0.564 1.00 52.43 S ATOM 0 H CYS A 59 -5.029 4.510 -0.159 1.00 41.12 H new ATOM 0 HA CYS A 59 -7.669 4.918 0.924 1.00 12.23 H new ATOM 0 HB2 CYS A 59 -6.253 6.096 -1.498 1.00 34.23 H new ATOM 0 HB3 CYS A 59 -7.740 6.701 -0.794 1.00 34.23 H new ATOM 0 HG CYS A 59 -4.653 6.741 0.717 1.00 52.43 H new ATOM 943 N TYR A 60 -7.343 3.487 -2.081 1.00 62.33 N ATOM 944 CA TYR A 60 -8.013 2.680 -3.136 1.00 55.34 C ATOM 945 C TYR A 60 -8.695 1.413 -2.578 1.00 43.04 C ATOM 946 O TYR A 60 -9.761 1.028 -3.058 1.00 2.14 O ATOM 947 CB TYR A 60 -7.008 2.300 -4.262 1.00 22.11 C ATOM 948 CG TYR A 60 -6.489 3.492 -5.085 1.00 0.53 C ATOM 949 CD1 TYR A 60 -7.294 4.611 -5.325 1.00 30.42 C ATOM 950 CD2 TYR A 60 -5.207 3.492 -5.648 1.00 61.23 C ATOM 951 CE1 TYR A 60 -6.841 5.674 -6.078 1.00 31.23 C ATOM 952 CE2 TYR A 60 -4.753 4.560 -6.403 1.00 11.31 C ATOM 953 CZ TYR A 60 -5.580 5.649 -6.616 1.00 3.02 C ATOM 954 OH TYR A 60 -5.145 6.720 -7.368 1.00 33.30 O ATOM 0 H TYR A 60 -6.352 3.647 -2.261 1.00 62.33 H new ATOM 0 HA TYR A 60 -8.800 3.308 -3.554 1.00 55.34 H new ATOM 0 HB2 TYR A 60 -6.157 1.787 -3.814 1.00 22.11 H new ATOM 0 HB3 TYR A 60 -7.489 1.591 -4.936 1.00 22.11 H new ATOM 0 HD1 TYR A 60 -8.291 4.643 -4.912 1.00 30.42 H new ATOM 0 HD2 TYR A 60 -4.560 2.642 -5.490 1.00 61.23 H new ATOM 0 HE1 TYR A 60 -7.481 6.528 -6.244 1.00 31.23 H new ATOM 0 HE2 TYR A 60 -3.758 4.543 -6.824 1.00 11.31 H new ATOM 0 HH TYR A 60 -5.578 7.540 -7.051 1.00 33.30 H new ATOM 964 N THR A 61 -8.085 0.790 -1.550 1.00 4.41 N ATOM 965 CA THR A 61 -8.664 -0.391 -0.882 1.00 54.41 C ATOM 966 C THR A 61 -9.990 -0.026 -0.176 1.00 52.33 C ATOM 967 O THR A 61 -10.950 -0.805 -0.214 1.00 32.11 O ATOM 968 CB THR A 61 -7.673 -1.038 0.145 1.00 50.32 C ATOM 969 OG1 THR A 61 -7.298 -0.085 1.146 1.00 21.34 O ATOM 970 CG2 THR A 61 -6.402 -1.582 -0.534 1.00 74.41 C ATOM 0 H THR A 61 -7.189 1.087 -1.164 1.00 4.41 H new ATOM 0 HA THR A 61 -8.861 -1.128 -1.661 1.00 54.41 H new ATOM 0 HB THR A 61 -8.198 -1.876 0.604 1.00 50.32 H new ATOM 0 HG1 THR A 61 -7.371 0.821 0.779 1.00 21.34 H new ATOM 0 HG21 THR A 61 -5.747 -2.020 0.219 1.00 74.41 H new ATOM 0 HG22 THR A 61 -6.677 -2.344 -1.264 1.00 74.41 H new ATOM 0 HG23 THR A 61 -5.882 -0.768 -1.038 1.00 74.41 H new ATOM 978 N LYS A 62 -10.054 1.206 0.399 1.00 74.13 N ATOM 979 CA LYS A 62 -11.247 1.678 1.150 1.00 42.14 C ATOM 980 C LYS A 62 -12.407 1.935 0.180 1.00 11.42 C ATOM 981 O LYS A 62 -13.582 1.794 0.532 1.00 31.24 O ATOM 982 CB LYS A 62 -10.924 2.973 1.955 1.00 42.41 C ATOM 983 CG LYS A 62 -9.755 2.830 2.956 1.00 0.00 C ATOM 984 CD LYS A 62 -9.971 1.702 3.993 1.00 21.10 C ATOM 985 CE LYS A 62 -8.716 1.422 4.834 1.00 61.01 C ATOM 986 NZ LYS A 62 -7.550 1.062 3.976 1.00 53.45 N ATOM 0 H LYS A 62 -9.296 1.887 0.356 1.00 74.13 H new ATOM 0 HA LYS A 62 -11.536 0.902 1.858 1.00 42.14 H new ATOM 0 HB2 LYS A 62 -10.689 3.773 1.253 1.00 42.41 H new ATOM 0 HB3 LYS A 62 -11.817 3.279 2.500 1.00 42.41 H new ATOM 0 HG2 LYS A 62 -8.835 2.635 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.618 3.775 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.793 1.975 4.654 1.00 21.10 H new ATOM 0 HD3 LYS A 62 -10.267 0.790 3.475 1.00 21.10 H new ATOM 0 HE2 LYS A 62 -8.472 2.302 5.430 1.00 61.01 H new ATOM 0 HE3 LYS A 62 -8.919 0.610 5.533 1.00 61.01 H new ATOM 0 HZ1 LYS A 62 -6.798 0.654 4.566 1.00 53.45 H new ATOM 0 HZ2 LYS A 62 -7.846 0.366 3.262 1.00 53.45 H new ATOM 0 HZ3 LYS A 62 -7.192 1.915 3.501 1.00 53.45 H new ATOM 1000 N LEU A 63 -12.040 2.303 -1.053 1.00 54.33 N ATOM 1001 CA LEU A 63 -12.986 2.555 -2.143 1.00 53.21 C ATOM 1002 C LEU A 63 -13.260 1.258 -2.950 1.00 22.43 C ATOM 1003 O LEU A 63 -13.948 1.310 -3.978 1.00 1.22 O ATOM 1004 CB LEU A 63 -12.422 3.681 -3.054 1.00 72.52 C ATOM 1005 CG LEU A 63 -12.048 5.030 -2.353 1.00 11.33 C ATOM 1006 CD1 LEU A 63 -11.611 6.076 -3.392 1.00 11.54 C ATOM 1007 CD2 LEU A 63 -13.193 5.577 -1.471 1.00 72.31 C ATOM 0 H LEU A 63 -11.066 2.435 -1.324 1.00 54.33 H new ATOM 0 HA LEU A 63 -13.940 2.880 -1.728 1.00 53.21 H new ATOM 0 HB2 LEU A 63 -11.532 3.300 -3.555 1.00 72.52 H new ATOM 0 HB3 LEU A 63 -13.159 3.893 -3.829 1.00 72.52 H new ATOM 0 HG LEU A 63 -11.210 4.822 -1.687 1.00 11.33 H new ATOM 0 HD11 LEU A 63 -11.355 7.007 -2.886 1.00 11.54 H new ATOM 0 HD12 LEU A 63 -10.741 5.707 -3.936 1.00 11.54 H new ATOM 0 HD13 LEU A 63 -12.427 6.256 -4.092 1.00 11.54 H new ATOM 0 HD21 LEU A 63 -12.881 6.513 -1.009 1.00 72.31 H new ATOM 0 HD22 LEU A 63 -14.075 5.753 -2.087 1.00 72.31 H new ATOM 0 HD23 LEU A 63 -13.432 4.851 -0.694 1.00 72.31 H new ATOM 1019 N LEU A 64 -12.703 0.107 -2.468 1.00 51.44 N ATOM 1020 CA LEU A 64 -12.899 -1.250 -3.056 1.00 40.22 C ATOM 1021 C LEU A 64 -12.239 -1.403 -4.450 1.00 15.45 C ATOM 1022 O LEU A 64 -12.438 -2.414 -5.132 1.00 60.42 O ATOM 1023 CB LEU A 64 -14.409 -1.670 -3.079 1.00 61.10 C ATOM 1024 CG LEU A 64 -15.047 -2.111 -1.711 1.00 43.32 C ATOM 1025 CD1 LEU A 64 -14.295 -3.309 -1.092 1.00 4.22 C ATOM 1026 CD2 LEU A 64 -15.144 -0.942 -0.705 1.00 20.23 C ATOM 0 H LEU A 64 -12.097 0.099 -1.648 1.00 51.44 H new ATOM 0 HA LEU A 64 -12.381 -1.943 -2.393 1.00 40.22 H new ATOM 0 HB2 LEU A 64 -14.988 -0.833 -3.469 1.00 61.10 H new ATOM 0 HB3 LEU A 64 -14.522 -2.492 -3.786 1.00 61.10 H new ATOM 0 HG LEU A 64 -16.065 -2.431 -1.934 1.00 43.32 H new ATOM 0 HD11 LEU A 64 -14.765 -3.585 -0.148 1.00 4.22 H new ATOM 0 HD12 LEU A 64 -14.333 -4.156 -1.777 1.00 4.22 H new ATOM 0 HD13 LEU A 64 -13.256 -3.033 -0.913 1.00 4.22 H new ATOM 0 HD21 LEU A 64 -15.591 -1.297 0.224 1.00 20.23 H new ATOM 0 HD22 LEU A 64 -14.146 -0.553 -0.502 1.00 20.23 H new ATOM 0 HD23 LEU A 64 -15.763 -0.150 -1.126 1.00 20.23 H new ATOM 1038 N GLU A 65 -11.406 -0.423 -4.818 1.00 72.25 N ATOM 1039 CA GLU A 65 -10.675 -0.376 -6.097 1.00 74.45 C ATOM 1040 C GLU A 65 -9.274 -1.006 -5.935 1.00 72.32 C ATOM 1041 O GLU A 65 -8.244 -0.400 -6.281 1.00 70.22 O ATOM 1042 CB GLU A 65 -10.589 1.101 -6.569 1.00 23.11 C ATOM 1043 CG GLU A 65 -11.961 1.750 -6.827 1.00 24.22 C ATOM 1044 CD GLU A 65 -11.862 3.220 -7.257 1.00 24.43 C ATOM 1045 OE1 GLU A 65 -11.629 3.484 -8.449 1.00 74.21 O ATOM 1046 OE2 GLU A 65 -12.023 4.119 -6.408 1.00 72.31 O ATOM 0 H GLU A 65 -11.214 0.382 -4.222 1.00 72.25 H new ATOM 0 HA GLU A 65 -11.203 -0.955 -6.854 1.00 74.45 H new ATOM 0 HB2 GLU A 65 -10.058 1.683 -5.816 1.00 23.11 H new ATOM 0 HB3 GLU A 65 -9.998 1.147 -7.484 1.00 23.11 H new ATOM 0 HG2 GLU A 65 -12.483 1.186 -7.600 1.00 24.22 H new ATOM 0 HG3 GLU A 65 -12.564 1.683 -5.921 1.00 24.22 H new ATOM 1053 N PHE A 66 -9.261 -2.261 -5.442 1.00 50.12 N ATOM 1054 CA PHE A 66 -8.035 -3.065 -5.264 1.00 71.52 C ATOM 1055 C PHE A 66 -7.321 -3.301 -6.619 1.00 55.22 C ATOM 1056 O PHE A 66 -6.132 -3.600 -6.640 1.00 22.20 O ATOM 1057 CB PHE A 66 -8.367 -4.427 -4.600 1.00 53.32 C ATOM 1058 CG PHE A 66 -8.896 -4.364 -3.162 1.00 34.42 C ATOM 1059 CD1 PHE A 66 -10.232 -4.066 -2.892 1.00 60.41 C ATOM 1060 CD2 PHE A 66 -8.059 -4.634 -2.077 1.00 51.34 C ATOM 1061 CE1 PHE A 66 -10.707 -4.033 -1.592 1.00 50.34 C ATOM 1062 CE2 PHE A 66 -8.539 -4.607 -0.779 1.00 5.03 C ATOM 1063 CZ PHE A 66 -9.862 -4.304 -0.538 1.00 51.04 C ATOM 0 H PHE A 66 -10.109 -2.749 -5.154 1.00 50.12 H new ATOM 0 HA PHE A 66 -7.364 -2.506 -4.612 1.00 71.52 H new ATOM 0 HB2 PHE A 66 -9.107 -4.938 -5.216 1.00 53.32 H new ATOM 0 HB3 PHE A 66 -7.467 -5.041 -4.608 1.00 53.32 H new ATOM 0 HD1 PHE A 66 -10.906 -3.858 -3.710 1.00 60.41 H new ATOM 0 HD2 PHE A 66 -7.020 -4.868 -2.254 1.00 51.34 H new ATOM 0 HE1 PHE A 66 -11.743 -3.794 -1.403 1.00 50.34 H new ATOM 0 HE2 PHE A 66 -7.876 -4.824 0.046 1.00 5.03 H new ATOM 0 HZ PHE A 66 -10.235 -4.279 0.475 1.00 51.04 H new ATOM 1073 N GLN A 67 -8.077 -3.151 -7.734 1.00 20.04 N ATOM 1074 CA GLN A 67 -7.527 -3.169 -9.108 1.00 53.03 C ATOM 1075 C GLN A 67 -6.404 -2.129 -9.250 1.00 1.14 C ATOM 1076 O GLN A 67 -5.347 -2.407 -9.827 1.00 34.15 O ATOM 1077 CB GLN A 67 -8.635 -2.841 -10.149 1.00 42.43 C ATOM 1078 CG GLN A 67 -9.851 -3.779 -10.149 1.00 71.40 C ATOM 1079 CD GLN A 67 -9.493 -5.238 -10.416 1.00 72.13 C ATOM 1080 OE1 GLN A 67 -9.300 -6.004 -9.364 1.00 42.42 O flip ATOM 1081 NE2 GLN A 67 -9.420 -5.677 -11.560 1.00 13.14 N flip ATOM 0 H GLN A 67 -9.087 -3.014 -7.704 1.00 20.04 H new ATOM 0 HA GLN A 67 -7.134 -4.169 -9.293 1.00 53.03 H new ATOM 0 HB2 GLN A 67 -8.984 -1.824 -9.971 1.00 42.43 H new ATOM 0 HB3 GLN A 67 -8.189 -2.856 -11.143 1.00 42.43 H new ATOM 0 HG2 GLN A 67 -10.355 -3.707 -9.185 1.00 71.40 H new ATOM 0 HG3 GLN A 67 -10.560 -3.443 -10.906 1.00 71.40 H new ATOM 0 HE21 GLN A 67 -9.575 -5.057 -12.355 1.00 13.14 H new ATOM 0 HE22 GLN A 67 -9.204 -6.662 -11.716 1.00 13.14 H new ATOM 1090 N LEU A 68 -6.659 -0.930 -8.686 1.00 2.41 N ATOM 1091 CA LEU A 68 -5.713 0.188 -8.729 1.00 63.30 C ATOM 1092 C LEU A 68 -4.588 -0.063 -7.716 1.00 11.21 C ATOM 1093 O LEU A 68 -3.427 0.193 -8.005 1.00 43.21 O ATOM 1094 CB LEU A 68 -6.433 1.531 -8.422 1.00 43.41 C ATOM 1095 CG LEU A 68 -7.691 1.868 -9.283 1.00 11.13 C ATOM 1096 CD1 LEU A 68 -8.221 3.281 -8.954 1.00 31.22 C ATOM 1097 CD2 LEU A 68 -7.419 1.699 -10.793 1.00 51.03 C ATOM 0 H LEU A 68 -7.525 -0.717 -8.191 1.00 2.41 H new ATOM 0 HA LEU A 68 -5.289 0.259 -9.731 1.00 63.30 H new ATOM 0 HB2 LEU A 68 -6.731 1.525 -7.373 1.00 43.41 H new ATOM 0 HB3 LEU A 68 -5.712 2.339 -8.544 1.00 43.41 H new ATOM 0 HG LEU A 68 -8.469 1.150 -9.023 1.00 11.13 H new ATOM 0 HD11 LEU A 68 -9.097 3.493 -9.567 1.00 31.22 H new ATOM 0 HD12 LEU A 68 -8.494 3.331 -7.900 1.00 31.22 H new ATOM 0 HD13 LEU A 68 -7.446 4.018 -9.163 1.00 31.22 H new ATOM 0 HD21 LEU A 68 -8.321 1.944 -11.355 1.00 51.03 H new ATOM 0 HD22 LEU A 68 -6.612 2.366 -11.094 1.00 51.03 H new ATOM 0 HD23 LEU A 68 -7.133 0.667 -10.998 1.00 51.03 H new ATOM 1109 N ALA A 69 -4.966 -0.629 -6.553 1.00 42.32 N ATOM 1110 CA ALA A 69 -4.040 -0.905 -5.436 1.00 72.43 C ATOM 1111 C ALA A 69 -2.971 -1.959 -5.811 1.00 2.21 C ATOM 1112 O ALA A 69 -1.861 -1.924 -5.277 1.00 44.41 O ATOM 1113 CB ALA A 69 -4.832 -1.342 -4.192 1.00 5.15 C ATOM 0 H ALA A 69 -5.928 -0.909 -6.361 1.00 42.32 H new ATOM 0 HA ALA A 69 -3.505 0.018 -5.211 1.00 72.43 H new ATOM 0 HB1 ALA A 69 -4.141 -1.544 -3.373 1.00 5.15 H new ATOM 0 HB2 ALA A 69 -5.519 -0.547 -3.900 1.00 5.15 H new ATOM 0 HB3 ALA A 69 -5.398 -2.245 -4.420 1.00 5.15 H new ATOM 1119 N LEU A 70 -3.327 -2.896 -6.725 1.00 24.52 N ATOM 1120 CA LEU A 70 -2.374 -3.889 -7.269 1.00 63.25 C ATOM 1121 C LEU A 70 -1.284 -3.189 -8.107 1.00 14.02 C ATOM 1122 O LEU A 70 -0.117 -3.181 -7.723 1.00 53.32 O ATOM 1123 CB LEU A 70 -3.108 -4.963 -8.134 1.00 72.25 C ATOM 1124 CG LEU A 70 -4.076 -5.931 -7.386 1.00 10.13 C ATOM 1125 CD1 LEU A 70 -4.825 -6.847 -8.383 1.00 5.43 C ATOM 1126 CD2 LEU A 70 -3.326 -6.763 -6.325 1.00 13.13 C ATOM 0 H LEU A 70 -4.271 -2.982 -7.100 1.00 24.52 H new ATOM 0 HA LEU A 70 -1.903 -4.394 -6.426 1.00 63.25 H new ATOM 0 HB2 LEU A 70 -3.676 -4.445 -8.907 1.00 72.25 H new ATOM 0 HB3 LEU A 70 -2.353 -5.564 -8.642 1.00 72.25 H new ATOM 0 HG LEU A 70 -4.817 -5.323 -6.867 1.00 10.13 H new ATOM 0 HD11 LEU A 70 -5.493 -7.512 -7.835 1.00 5.43 H new ATOM 0 HD12 LEU A 70 -5.407 -6.235 -9.072 1.00 5.43 H new ATOM 0 HD13 LEU A 70 -4.103 -7.440 -8.945 1.00 5.43 H new ATOM 0 HD21 LEU A 70 -4.028 -7.428 -5.821 1.00 13.13 H new ATOM 0 HD22 LEU A 70 -2.549 -7.355 -6.809 1.00 13.13 H new ATOM 0 HD23 LEU A 70 -2.870 -6.095 -5.594 1.00 13.13 H new ATOM 1138 N LYS A 71 -1.708 -2.576 -9.231 1.00 63.11 N ATOM 1139 CA LYS A 71 -0.793 -1.952 -10.223 1.00 62.22 C ATOM 1140 C LYS A 71 0.007 -0.756 -9.635 1.00 1.14 C ATOM 1141 O LYS A 71 1.141 -0.498 -10.059 1.00 32.52 O ATOM 1142 CB LYS A 71 -1.590 -1.524 -11.489 1.00 1.34 C ATOM 1143 CG LYS A 71 -2.785 -0.573 -11.217 1.00 1.13 C ATOM 1144 CD LYS A 71 -3.515 -0.112 -12.504 1.00 60.51 C ATOM 1145 CE LYS A 71 -4.023 -1.283 -13.361 1.00 3.42 C ATOM 1146 NZ LYS A 71 -4.942 -2.179 -12.603 1.00 0.10 N ATOM 0 H LYS A 71 -2.694 -2.497 -9.481 1.00 63.11 H new ATOM 0 HA LYS A 71 -0.055 -2.704 -10.502 1.00 62.22 H new ATOM 0 HB2 LYS A 71 -0.906 -1.035 -12.183 1.00 1.34 H new ATOM 0 HB3 LYS A 71 -1.963 -2.420 -11.986 1.00 1.34 H new ATOM 0 HG2 LYS A 71 -3.499 -1.077 -10.565 1.00 1.13 H new ATOM 0 HG3 LYS A 71 -2.426 0.304 -10.679 1.00 1.13 H new ATOM 0 HD2 LYS A 71 -4.358 0.522 -12.229 1.00 60.51 H new ATOM 0 HD3 LYS A 71 -2.837 0.499 -13.100 1.00 60.51 H new ATOM 0 HE2 LYS A 71 -4.540 -0.892 -14.237 1.00 3.42 H new ATOM 0 HE3 LYS A 71 -3.173 -1.861 -13.724 1.00 3.42 H new ATOM 0 HZ1 LYS A 71 -4.545 -3.140 -12.575 1.00 0.10 H new ATOM 0 HZ2 LYS A 71 -5.053 -1.822 -11.633 1.00 0.10 H new ATOM 0 HZ3 LYS A 71 -5.870 -2.201 -13.072 1.00 0.10 H new ATOM 1160 N ASP A 72 -0.588 -0.059 -8.648 1.00 24.10 N ATOM 1161 CA ASP A 72 0.066 1.060 -7.926 1.00 62.31 C ATOM 1162 C ASP A 72 1.191 0.522 -7.015 1.00 35.13 C ATOM 1163 O ASP A 72 2.225 1.173 -6.827 1.00 71.40 O ATOM 1164 CB ASP A 72 -0.996 1.848 -7.107 1.00 51.55 C ATOM 1165 CG ASP A 72 -0.450 3.113 -6.417 1.00 72.14 C ATOM 1166 OD1 ASP A 72 -0.175 4.112 -7.123 1.00 42.51 O ATOM 1167 OD2 ASP A 72 -0.308 3.121 -5.185 1.00 30.45 O ATOM 0 H ASP A 72 -1.536 -0.253 -8.325 1.00 24.10 H new ATOM 0 HA ASP A 72 0.518 1.742 -8.646 1.00 62.31 H new ATOM 0 HB2 ASP A 72 -1.812 2.133 -7.771 1.00 51.55 H new ATOM 0 HB3 ASP A 72 -1.418 1.188 -6.349 1.00 51.55 H new ATOM 1172 N CYS A 73 0.975 -0.695 -6.469 1.00 33.33 N ATOM 1173 CA CYS A 73 1.978 -1.405 -5.650 1.00 30.44 C ATOM 1174 C CYS A 73 3.020 -2.122 -6.537 1.00 12.14 C ATOM 1175 O CYS A 73 4.167 -2.308 -6.113 1.00 21.43 O ATOM 1176 CB CYS A 73 1.308 -2.413 -4.695 1.00 42.51 C ATOM 1177 SG CYS A 73 2.473 -3.238 -3.582 1.00 63.32 S ATOM 0 H CYS A 73 0.102 -1.210 -6.584 1.00 33.33 H new ATOM 0 HA CYS A 73 2.495 -0.655 -5.051 1.00 30.44 H new ATOM 0 HB2 CYS A 73 0.556 -1.894 -4.101 1.00 42.51 H new ATOM 0 HB3 CYS A 73 0.785 -3.166 -5.284 1.00 42.51 H new ATOM 0 HG CYS A 73 2.084 -3.079 -2.352 1.00 63.32 H new ATOM 1183 N GLU A 74 2.619 -2.516 -7.765 1.00 35.53 N ATOM 1184 CA GLU A 74 3.512 -3.228 -8.708 1.00 14.44 C ATOM 1185 C GLU A 74 4.656 -2.327 -9.189 1.00 55.34 C ATOM 1186 O GLU A 74 5.738 -2.818 -9.509 1.00 33.54 O ATOM 1187 CB GLU A 74 2.717 -3.800 -9.916 1.00 52.42 C ATOM 1188 CG GLU A 74 1.751 -4.960 -9.568 1.00 44.11 C ATOM 1189 CD GLU A 74 2.443 -6.301 -9.232 1.00 71.34 C ATOM 1190 OE1 GLU A 74 3.260 -6.359 -8.288 1.00 64.50 O ATOM 1191 OE2 GLU A 74 2.162 -7.312 -9.905 1.00 2.01 O ATOM 0 H GLU A 74 1.680 -2.353 -8.128 1.00 35.53 H new ATOM 0 HA GLU A 74 3.952 -4.065 -8.166 1.00 14.44 H new ATOM 0 HB2 GLU A 74 2.143 -2.992 -10.371 1.00 52.42 H new ATOM 0 HB3 GLU A 74 3.426 -4.149 -10.667 1.00 52.42 H new ATOM 0 HG2 GLU A 74 1.138 -4.661 -8.718 1.00 44.11 H new ATOM 0 HG3 GLU A 74 1.076 -5.116 -10.409 1.00 44.11 H new ATOM 1198 N GLU A 75 4.401 -1.016 -9.267 1.00 24.21 N ATOM 1199 CA GLU A 75 5.450 -0.023 -9.549 1.00 5.31 C ATOM 1200 C GLU A 75 6.162 0.409 -8.242 1.00 1.43 C ATOM 1201 O GLU A 75 7.385 0.573 -8.235 1.00 21.32 O ATOM 1202 CB GLU A 75 4.858 1.176 -10.332 1.00 35.41 C ATOM 1203 CG GLU A 75 3.646 1.852 -9.676 1.00 21.01 C ATOM 1204 CD GLU A 75 2.997 2.909 -10.580 1.00 2.33 C ATOM 1205 OE1 GLU A 75 3.419 4.078 -10.551 1.00 3.23 O ATOM 1206 OE2 GLU A 75 2.074 2.569 -11.345 1.00 33.13 O ATOM 0 H GLU A 75 3.472 -0.614 -9.138 1.00 24.21 H new ATOM 0 HA GLU A 75 6.212 -0.476 -10.184 1.00 5.31 H new ATOM 0 HB2 GLU A 75 5.641 1.922 -10.468 1.00 35.41 H new ATOM 0 HB3 GLU A 75 4.569 0.833 -11.325 1.00 35.41 H new ATOM 0 HG2 GLU A 75 2.906 1.094 -9.421 1.00 21.01 H new ATOM 0 HG3 GLU A 75 3.957 2.320 -8.742 1.00 21.01 H new ATOM 1213 N CYS A 76 5.395 0.517 -7.130 1.00 34.10 N ATOM 1214 CA CYS A 76 5.928 0.888 -5.786 1.00 74.23 C ATOM 1215 C CYS A 76 7.087 -0.028 -5.343 1.00 71.43 C ATOM 1216 O CYS A 76 8.074 0.436 -4.758 1.00 50.41 O ATOM 1217 CB CYS A 76 4.805 0.823 -4.736 1.00 11.42 C ATOM 1218 SG CYS A 76 5.307 1.212 -3.040 1.00 33.11 S ATOM 0 H CYS A 76 4.389 0.350 -7.134 1.00 34.10 H new ATOM 0 HA CYS A 76 6.313 1.905 -5.866 1.00 74.23 H new ATOM 0 HB2 CYS A 76 4.014 1.513 -5.031 1.00 11.42 H new ATOM 0 HB3 CYS A 76 4.375 -0.179 -4.749 1.00 11.42 H new ATOM 0 HG CYS A 76 4.277 1.125 -2.252 1.00 33.11 H new ATOM 1224 N ILE A 77 6.952 -1.328 -5.655 1.00 44.41 N ATOM 1225 CA ILE A 77 7.940 -2.355 -5.286 1.00 74.54 C ATOM 1226 C ILE A 77 9.210 -2.217 -6.167 1.00 33.32 C ATOM 1227 O ILE A 77 10.304 -2.576 -5.729 1.00 64.12 O ATOM 1228 CB ILE A 77 7.280 -3.799 -5.359 1.00 23.31 C ATOM 1229 CG1 ILE A 77 8.111 -4.914 -4.623 1.00 1.40 C ATOM 1230 CG2 ILE A 77 6.961 -4.217 -6.810 1.00 4.11 C ATOM 1231 CD1 ILE A 77 9.241 -5.584 -5.405 1.00 23.34 C ATOM 0 H ILE A 77 6.153 -1.697 -6.171 1.00 44.41 H new ATOM 0 HA ILE A 77 8.260 -2.209 -4.254 1.00 74.54 H new ATOM 0 HB ILE A 77 6.340 -3.708 -4.815 1.00 23.31 H new ATOM 0 HG12 ILE A 77 8.540 -4.475 -3.722 1.00 1.40 H new ATOM 0 HG13 ILE A 77 7.419 -5.691 -4.300 1.00 1.40 H new ATOM 0 HG21 ILE A 77 6.511 -5.210 -6.812 1.00 4.11 H new ATOM 0 HG22 ILE A 77 6.265 -3.503 -7.250 1.00 4.11 H new ATOM 0 HG23 ILE A 77 7.881 -4.234 -7.394 1.00 4.11 H new ATOM 0 HD11 ILE A 77 9.726 -6.330 -4.776 1.00 23.34 H new ATOM 0 HD12 ILE A 77 8.832 -6.068 -6.292 1.00 23.34 H new ATOM 0 HD13 ILE A 77 9.971 -4.832 -5.706 1.00 23.34 H new ATOM 1243 N GLN A 78 9.067 -1.637 -7.382 1.00 23.42 N ATOM 1244 CA GLN A 78 10.211 -1.430 -8.309 1.00 2.21 C ATOM 1245 C GLN A 78 11.094 -0.279 -7.793 1.00 42.30 C ATOM 1246 O GLN A 78 12.310 -0.263 -7.988 1.00 2.41 O ATOM 1247 CB GLN A 78 9.710 -1.125 -9.754 1.00 75.03 C ATOM 1248 CG GLN A 78 8.713 -2.159 -10.319 1.00 64.22 C ATOM 1249 CD GLN A 78 9.250 -3.596 -10.387 1.00 51.04 C ATOM 1250 OE1 GLN A 78 10.440 -3.826 -10.607 1.00 41.22 O ATOM 1251 NE2 GLN A 78 8.370 -4.570 -10.201 1.00 64.23 N ATOM 0 H GLN A 78 8.174 -1.304 -7.745 1.00 23.42 H new ATOM 0 HA GLN A 78 10.800 -2.346 -8.345 1.00 2.21 H new ATOM 0 HB2 GLN A 78 9.238 -0.143 -9.761 1.00 75.03 H new ATOM 0 HB3 GLN A 78 10.572 -1.069 -10.419 1.00 75.03 H new ATOM 0 HG2 GLN A 78 7.813 -2.150 -9.704 1.00 64.22 H new ATOM 0 HG3 GLN A 78 8.417 -1.848 -11.321 1.00 64.22 H new ATOM 0 HE21 GLN A 78 7.391 -4.346 -10.021 1.00 64.23 H new ATOM 0 HE22 GLN A 78 8.672 -5.544 -10.238 1.00 64.23 H new ATOM 1260 N LEU A 79 10.433 0.674 -7.124 1.00 60.54 N ATOM 1261 CA LEU A 79 11.064 1.863 -6.527 1.00 74.21 C ATOM 1262 C LEU A 79 11.757 1.495 -5.207 1.00 42.31 C ATOM 1263 O LEU A 79 12.918 1.857 -4.979 1.00 71.01 O ATOM 1264 CB LEU A 79 9.967 2.927 -6.285 1.00 54.33 C ATOM 1265 CG LEU A 79 9.095 3.262 -7.525 1.00 54.10 C ATOM 1266 CD1 LEU A 79 7.865 4.079 -7.118 1.00 64.23 C ATOM 1267 CD2 LEU A 79 9.917 3.972 -8.620 1.00 12.02 C ATOM 0 H LEU A 79 9.424 0.642 -6.978 1.00 60.54 H new ATOM 0 HA LEU A 79 11.822 2.260 -7.202 1.00 74.21 H new ATOM 0 HB2 LEU A 79 9.315 2.579 -5.484 1.00 54.33 H new ATOM 0 HB3 LEU A 79 10.442 3.844 -5.935 1.00 54.33 H new ATOM 0 HG LEU A 79 8.743 2.323 -7.953 1.00 54.10 H new ATOM 0 HD11 LEU A 79 7.268 4.303 -8.002 1.00 64.23 H new ATOM 0 HD12 LEU A 79 7.265 3.506 -6.411 1.00 64.23 H new ATOM 0 HD13 LEU A 79 8.185 5.010 -6.651 1.00 64.23 H new ATOM 0 HD21 LEU A 79 9.274 4.191 -9.473 1.00 12.02 H new ATOM 0 HD22 LEU A 79 10.324 4.902 -8.224 1.00 12.02 H new ATOM 0 HD23 LEU A 79 10.734 3.325 -8.938 1.00 12.02 H new ATOM 1279 N GLU A 80 11.027 0.758 -4.352 1.00 2.40 N ATOM 1280 CA GLU A 80 11.534 0.306 -3.051 1.00 40.32 C ATOM 1281 C GLU A 80 10.990 -1.112 -2.724 1.00 53.50 C ATOM 1282 O GLU A 80 9.835 -1.260 -2.304 1.00 5.23 O ATOM 1283 CB GLU A 80 11.170 1.329 -1.939 1.00 2.23 C ATOM 1284 CG GLU A 80 11.704 0.969 -0.537 1.00 35.22 C ATOM 1285 CD GLU A 80 13.230 0.843 -0.477 1.00 54.04 C ATOM 1286 OE1 GLU A 80 13.915 1.857 -0.242 1.00 63.43 O ATOM 1287 OE2 GLU A 80 13.750 -0.270 -0.675 1.00 50.23 O ATOM 0 H GLU A 80 10.071 0.461 -4.546 1.00 2.40 H new ATOM 0 HA GLU A 80 12.621 0.243 -3.097 1.00 40.32 H new ATOM 0 HB2 GLU A 80 11.559 2.307 -2.222 1.00 2.23 H new ATOM 0 HB3 GLU A 80 10.085 1.420 -1.888 1.00 2.23 H new ATOM 0 HG2 GLU A 80 11.382 1.732 0.172 1.00 35.22 H new ATOM 0 HG3 GLU A 80 11.257 0.028 -0.217 1.00 35.22 H new ATOM 1294 N PRO A 81 11.814 -2.189 -2.962 1.00 60.33 N ATOM 1295 CA PRO A 81 11.422 -3.593 -2.672 1.00 64.21 C ATOM 1296 C PRO A 81 11.571 -4.022 -1.195 1.00 23.22 C ATOM 1297 O PRO A 81 11.233 -5.158 -0.857 1.00 73.24 O ATOM 1298 CB PRO A 81 12.371 -4.403 -3.581 1.00 4.11 C ATOM 1299 CG PRO A 81 13.616 -3.569 -3.680 1.00 22.41 C ATOM 1300 CD PRO A 81 13.163 -2.124 -3.607 1.00 0.52 C ATOM 0 HA PRO A 81 10.359 -3.748 -2.859 1.00 64.21 H new ATOM 0 HB2 PRO A 81 12.585 -5.383 -3.155 1.00 4.11 H new ATOM 0 HB3 PRO A 81 11.929 -4.572 -4.563 1.00 4.11 H new ATOM 0 HG2 PRO A 81 14.306 -3.802 -2.869 1.00 22.41 H new ATOM 0 HG3 PRO A 81 14.143 -3.765 -4.614 1.00 22.41 H new ATOM 0 HD2 PRO A 81 13.855 -1.520 -3.021 1.00 0.52 H new ATOM 0 HD3 PRO A 81 13.108 -1.674 -4.598 1.00 0.52 H new ATOM 1308 N THR A 82 12.096 -3.150 -0.322 1.00 4.02 N ATOM 1309 CA THR A 82 12.207 -3.460 1.124 1.00 25.53 C ATOM 1310 C THR A 82 11.230 -2.609 1.956 1.00 5.24 C ATOM 1311 O THR A 82 11.369 -2.505 3.183 1.00 24.42 O ATOM 1312 CB THR A 82 13.679 -3.315 1.640 1.00 72.42 C ATOM 1313 OG1 THR A 82 14.152 -1.973 1.476 1.00 30.33 O ATOM 1314 CG2 THR A 82 14.640 -4.293 0.923 1.00 13.13 C ATOM 0 H THR A 82 12.450 -2.229 -0.582 1.00 4.02 H new ATOM 0 HA THR A 82 11.925 -4.505 1.253 1.00 25.53 H new ATOM 0 HB THR A 82 13.665 -3.563 2.701 1.00 72.42 H new ATOM 0 HG1 THR A 82 13.907 -1.646 0.585 1.00 30.33 H new ATOM 0 HG21 THR A 82 15.650 -4.160 1.310 1.00 13.13 H new ATOM 0 HG22 THR A 82 14.315 -5.318 1.101 1.00 13.13 H new ATOM 0 HG23 THR A 82 14.632 -4.091 -0.148 1.00 13.13 H new ATOM 1322 N PHE A 83 10.211 -2.031 1.287 1.00 23.14 N ATOM 1323 CA PHE A 83 9.193 -1.197 1.945 1.00 24.53 C ATOM 1324 C PHE A 83 8.065 -2.078 2.530 1.00 22.02 C ATOM 1325 O PHE A 83 7.237 -2.604 1.783 1.00 52.40 O ATOM 1326 CB PHE A 83 8.616 -0.155 0.948 1.00 54.14 C ATOM 1327 CG PHE A 83 7.870 0.983 1.624 1.00 35.03 C ATOM 1328 CD1 PHE A 83 8.487 1.711 2.640 1.00 42.03 C ATOM 1329 CD2 PHE A 83 6.569 1.328 1.270 1.00 45.24 C ATOM 1330 CE1 PHE A 83 7.834 2.737 3.280 1.00 1.54 C ATOM 1331 CE2 PHE A 83 5.919 2.357 1.916 1.00 74.00 C ATOM 1332 CZ PHE A 83 6.551 3.063 2.921 1.00 13.20 C ATOM 0 H PHE A 83 10.074 -2.130 0.281 1.00 23.14 H new ATOM 0 HA PHE A 83 9.666 -0.659 2.766 1.00 24.53 H new ATOM 0 HB2 PHE A 83 9.431 0.258 0.354 1.00 54.14 H new ATOM 0 HB3 PHE A 83 7.942 -0.660 0.256 1.00 54.14 H new ATOM 0 HD1 PHE A 83 9.498 1.464 2.930 1.00 42.03 H new ATOM 0 HD2 PHE A 83 6.065 0.785 0.484 1.00 45.24 H new ATOM 0 HE1 PHE A 83 8.331 3.287 4.066 1.00 1.54 H new ATOM 0 HE2 PHE A 83 4.908 2.613 1.635 1.00 74.00 H new ATOM 0 HZ PHE A 83 6.036 3.869 3.423 1.00 13.20 H new ATOM 1342 N ILE A 84 8.042 -2.199 3.873 1.00 14.52 N ATOM 1343 CA ILE A 84 7.079 -3.041 4.624 1.00 64.24 C ATOM 1344 C ILE A 84 5.616 -2.643 4.323 1.00 12.40 C ATOM 1345 O ILE A 84 4.776 -3.508 4.056 1.00 73.21 O ATOM 1346 CB ILE A 84 7.354 -2.947 6.176 1.00 72.01 C ATOM 1347 CG1 ILE A 84 8.775 -3.497 6.515 1.00 45.41 C ATOM 1348 CG2 ILE A 84 6.258 -3.652 7.010 1.00 0.41 C ATOM 1349 CD1 ILE A 84 9.161 -3.421 7.982 1.00 51.25 C ATOM 0 H ILE A 84 8.700 -1.709 4.478 1.00 14.52 H new ATOM 0 HA ILE A 84 7.222 -4.071 4.296 1.00 64.24 H new ATOM 0 HB ILE A 84 7.320 -1.893 6.451 1.00 72.01 H new ATOM 0 HG12 ILE A 84 8.831 -4.537 6.194 1.00 45.41 H new ATOM 0 HG13 ILE A 84 9.511 -2.943 5.932 1.00 45.41 H new ATOM 0 HG21 ILE A 84 6.492 -3.560 8.071 1.00 0.41 H new ATOM 0 HG22 ILE A 84 5.293 -3.187 6.810 1.00 0.41 H new ATOM 0 HG23 ILE A 84 6.216 -4.707 6.738 1.00 0.41 H new ATOM 0 HD11 ILE A 84 10.164 -3.826 8.116 1.00 51.25 H new ATOM 0 HD12 ILE A 84 9.143 -2.382 8.310 1.00 51.25 H new ATOM 0 HD13 ILE A 84 8.453 -4.000 8.575 1.00 51.25 H new ATOM 1361 N LYS A 85 5.347 -1.323 4.346 1.00 62.53 N ATOM 1362 CA LYS A 85 3.985 -0.773 4.168 1.00 44.03 C ATOM 1363 C LYS A 85 3.439 -1.055 2.747 1.00 20.33 C ATOM 1364 O LYS A 85 2.226 -1.126 2.549 1.00 2.34 O ATOM 1365 CB LYS A 85 3.979 0.751 4.471 1.00 74.33 C ATOM 1366 CG LYS A 85 4.570 1.193 5.845 1.00 51.32 C ATOM 1367 CD LYS A 85 3.613 1.029 7.061 1.00 12.45 C ATOM 1368 CE LYS A 85 3.376 -0.415 7.519 1.00 51.33 C ATOM 1369 NZ LYS A 85 2.427 -0.466 8.673 1.00 51.45 N ATOM 0 H LYS A 85 6.062 -0.610 4.488 1.00 62.53 H new ATOM 0 HA LYS A 85 3.323 -1.274 4.875 1.00 44.03 H new ATOM 0 HB2 LYS A 85 4.536 1.257 3.682 1.00 74.33 H new ATOM 0 HB3 LYS A 85 2.950 1.106 4.413 1.00 74.33 H new ATOM 0 HG2 LYS A 85 5.475 0.617 6.035 1.00 51.32 H new ATOM 0 HG3 LYS A 85 4.867 2.239 5.775 1.00 51.32 H new ATOM 0 HD2 LYS A 85 4.017 1.597 7.899 1.00 12.45 H new ATOM 0 HD3 LYS A 85 2.651 1.475 6.808 1.00 12.45 H new ATOM 0 HE2 LYS A 85 2.978 -1.001 6.691 1.00 51.33 H new ATOM 0 HE3 LYS A 85 4.325 -0.869 7.804 1.00 51.33 H new ATOM 0 HZ1 LYS A 85 2.693 -1.246 9.307 1.00 51.45 H new ATOM 0 HZ2 LYS A 85 2.466 0.433 9.195 1.00 51.45 H new ATOM 0 HZ3 LYS A 85 1.461 -0.620 8.321 1.00 51.45 H new ATOM 1383 N GLY A 86 4.356 -1.225 1.768 1.00 33.31 N ATOM 1384 CA GLY A 86 3.985 -1.638 0.410 1.00 21.40 C ATOM 1385 C GLY A 86 3.525 -3.096 0.358 1.00 4.54 C ATOM 1386 O GLY A 86 2.548 -3.425 -0.321 1.00 54.10 O ATOM 0 H GLY A 86 5.357 -1.081 1.901 1.00 33.31 H new ATOM 0 HA2 GLY A 86 3.188 -0.993 0.040 1.00 21.40 H new ATOM 0 HA3 GLY A 86 4.838 -1.503 -0.255 1.00 21.40 H new ATOM 1390 N TYR A 87 4.229 -3.954 1.116 1.00 11.33 N ATOM 1391 CA TYR A 87 3.964 -5.410 1.180 1.00 65.33 C ATOM 1392 C TYR A 87 2.677 -5.736 1.964 1.00 25.00 C ATOM 1393 O TYR A 87 1.948 -6.668 1.607 1.00 41.31 O ATOM 1394 CB TYR A 87 5.195 -6.147 1.794 1.00 62.31 C ATOM 1395 CG TYR A 87 6.338 -6.368 0.792 1.00 53.31 C ATOM 1396 CD1 TYR A 87 7.007 -5.291 0.205 1.00 22.23 C ATOM 1397 CD2 TYR A 87 6.717 -7.652 0.398 1.00 42.23 C ATOM 1398 CE1 TYR A 87 7.997 -5.484 -0.732 1.00 51.11 C ATOM 1399 CE2 TYR A 87 7.717 -7.851 -0.531 1.00 55.10 C ATOM 1400 CZ TYR A 87 8.350 -6.767 -1.100 1.00 24.40 C ATOM 1401 OH TYR A 87 9.321 -6.969 -2.059 1.00 22.20 O ATOM 0 H TYR A 87 5.005 -3.659 1.708 1.00 11.33 H new ATOM 0 HA TYR A 87 3.806 -5.765 0.162 1.00 65.33 H new ATOM 0 HB2 TYR A 87 5.570 -5.570 2.639 1.00 62.31 H new ATOM 0 HB3 TYR A 87 4.873 -7.112 2.185 1.00 62.31 H new ATOM 0 HD1 TYR A 87 6.742 -4.284 0.493 1.00 22.23 H new ATOM 0 HD2 TYR A 87 6.217 -8.507 0.829 1.00 42.23 H new ATOM 0 HE1 TYR A 87 8.495 -4.636 -1.177 1.00 51.11 H new ATOM 0 HE2 TYR A 87 8.003 -8.854 -0.812 1.00 55.10 H new ATOM 0 HH TYR A 87 10.102 -6.413 -1.856 1.00 22.20 H new ATOM 1411 N THR A 88 2.401 -4.964 3.020 1.00 10.13 N ATOM 1412 CA THR A 88 1.220 -5.167 3.874 1.00 22.40 C ATOM 1413 C THR A 88 -0.088 -4.816 3.117 1.00 61.51 C ATOM 1414 O THR A 88 -1.131 -5.442 3.347 1.00 73.42 O ATOM 1415 CB THR A 88 1.351 -4.332 5.183 1.00 61.30 C ATOM 1416 OG1 THR A 88 1.617 -2.962 4.849 1.00 74.23 O ATOM 1417 CG2 THR A 88 2.475 -4.860 6.100 1.00 35.54 C ATOM 0 H THR A 88 2.987 -4.181 3.309 1.00 10.13 H new ATOM 0 HA THR A 88 1.169 -6.222 4.142 1.00 22.40 H new ATOM 0 HB THR A 88 0.410 -4.419 5.726 1.00 61.30 H new ATOM 0 HG1 THR A 88 1.698 -2.435 5.671 1.00 74.23 H new ATOM 0 HG21 THR A 88 2.529 -4.247 7.000 1.00 35.54 H new ATOM 0 HG22 THR A 88 2.264 -5.893 6.377 1.00 35.54 H new ATOM 0 HG23 THR A 88 3.427 -4.814 5.572 1.00 35.54 H new ATOM 1425 N ARG A 89 -0.010 -3.824 2.198 1.00 74.11 N ATOM 1426 CA ARG A 89 -1.145 -3.448 1.319 1.00 24.43 C ATOM 1427 C ARG A 89 -1.318 -4.469 0.179 1.00 21.32 C ATOM 1428 O ARG A 89 -2.446 -4.847 -0.165 1.00 62.34 O ATOM 1429 CB ARG A 89 -0.941 -2.027 0.718 1.00 0.02 C ATOM 1430 CG ARG A 89 -0.840 -0.895 1.760 1.00 52.54 C ATOM 1431 CD ARG A 89 -2.067 -0.804 2.677 1.00 42.43 C ATOM 1432 NE ARG A 89 -1.889 0.226 3.710 1.00 53.33 N ATOM 1433 CZ ARG A 89 -2.380 0.171 4.959 1.00 13.34 C ATOM 1434 NH1 ARG A 89 -3.101 -0.869 5.367 1.00 73.23 N ATOM 1435 NH2 ARG A 89 -2.143 1.164 5.795 1.00 72.20 N ATOM 0 H ARG A 89 0.831 -3.267 2.045 1.00 74.11 H new ATOM 0 HA ARG A 89 -2.046 -3.444 1.933 1.00 24.43 H new ATOM 0 HB2 ARG A 89 -0.033 -2.029 0.115 1.00 0.02 H new ATOM 0 HB3 ARG A 89 -1.770 -1.810 0.045 1.00 0.02 H new ATOM 0 HG2 ARG A 89 0.050 -1.050 2.370 1.00 52.54 H new ATOM 0 HG3 ARG A 89 -0.710 0.056 1.242 1.00 52.54 H new ATOM 0 HD2 ARG A 89 -2.952 -0.576 2.082 1.00 42.43 H new ATOM 0 HD3 ARG A 89 -2.242 -1.770 3.151 1.00 42.43 H new ATOM 0 HE ARG A 89 -1.347 1.052 3.457 1.00 53.33 H new ATOM 0 HH11 ARG A 89 -3.289 -1.641 4.728 1.00 73.23 H new ATOM 0 HH12 ARG A 89 -3.466 -0.894 6.319 1.00 73.23 H new ATOM 0 HH21 ARG A 89 -1.591 1.966 5.491 1.00 72.20 H new ATOM 0 HH22 ARG A 89 -2.512 1.130 6.745 1.00 72.20 H new ATOM 1449 N LYS A 90 -0.176 -4.898 -0.393 1.00 24.05 N ATOM 1450 CA LYS A 90 -0.133 -5.816 -1.543 1.00 14.02 C ATOM 1451 C LYS A 90 -0.758 -7.179 -1.197 1.00 4.42 C ATOM 1452 O LYS A 90 -1.610 -7.677 -1.932 1.00 31.31 O ATOM 1453 CB LYS A 90 1.329 -6.008 -2.026 1.00 5.35 C ATOM 1454 CG LYS A 90 1.481 -6.926 -3.261 1.00 62.44 C ATOM 1455 CD LYS A 90 0.717 -6.402 -4.501 1.00 41.32 C ATOM 1456 CE LYS A 90 0.859 -7.346 -5.701 1.00 3.15 C ATOM 1457 NZ LYS A 90 2.283 -7.592 -6.049 1.00 42.55 N ATOM 0 H LYS A 90 0.748 -4.614 -0.066 1.00 24.05 H new ATOM 0 HA LYS A 90 -0.719 -5.370 -2.346 1.00 14.02 H new ATOM 0 HB2 LYS A 90 1.752 -5.031 -2.261 1.00 5.35 H new ATOM 0 HB3 LYS A 90 1.918 -6.422 -1.207 1.00 5.35 H new ATOM 0 HG2 LYS A 90 2.538 -7.023 -3.507 1.00 62.44 H new ATOM 0 HG3 LYS A 90 1.119 -7.923 -3.012 1.00 62.44 H new ATOM 0 HD2 LYS A 90 -0.338 -6.285 -4.254 1.00 41.32 H new ATOM 0 HD3 LYS A 90 1.094 -5.415 -4.769 1.00 41.32 H new ATOM 0 HE2 LYS A 90 0.371 -8.295 -5.476 1.00 3.15 H new ATOM 0 HE3 LYS A 90 0.344 -6.919 -6.561 1.00 3.15 H new ATOM 0 HZ1 LYS A 90 2.423 -7.436 -7.068 1.00 42.55 H new ATOM 0 HZ2 LYS A 90 2.889 -6.940 -5.512 1.00 42.55 H new ATOM 0 HZ3 LYS A 90 2.534 -8.573 -5.811 1.00 42.55 H new ATOM 1471 N ALA A 91 -0.327 -7.754 -0.068 1.00 21.21 N ATOM 1472 CA ALA A 91 -0.781 -9.070 0.390 1.00 73.25 C ATOM 1473 C ALA A 91 -2.268 -9.053 0.785 1.00 72.34 C ATOM 1474 O ALA A 91 -2.975 -10.035 0.570 1.00 11.44 O ATOM 1475 CB ALA A 91 0.097 -9.528 1.550 1.00 30.32 C ATOM 0 H ALA A 91 0.350 -7.316 0.556 1.00 21.21 H new ATOM 0 HA ALA A 91 -0.687 -9.780 -0.432 1.00 73.25 H new ATOM 0 HB1 ALA A 91 -0.237 -10.507 1.895 1.00 30.32 H new ATOM 0 HB2 ALA A 91 1.133 -9.594 1.218 1.00 30.32 H new ATOM 0 HB3 ALA A 91 0.023 -8.811 2.368 1.00 30.32 H new ATOM 1481 N ALA A 92 -2.729 -7.916 1.349 1.00 40.23 N ATOM 1482 CA ALA A 92 -4.149 -7.705 1.690 1.00 30.01 C ATOM 1483 C ALA A 92 -5.018 -7.632 0.418 1.00 54.42 C ATOM 1484 O ALA A 92 -6.155 -8.123 0.396 1.00 11.32 O ATOM 1485 CB ALA A 92 -4.307 -6.432 2.531 1.00 43.33 C ATOM 0 H ALA A 92 -2.129 -7.124 1.579 1.00 40.23 H new ATOM 0 HA ALA A 92 -4.492 -8.556 2.278 1.00 30.01 H new ATOM 0 HB1 ALA A 92 -5.359 -6.286 2.777 1.00 43.33 H new ATOM 0 HB2 ALA A 92 -3.730 -6.529 3.450 1.00 43.33 H new ATOM 0 HB3 ALA A 92 -3.945 -5.574 1.964 1.00 43.33 H new ATOM 1491 N ALA A 93 -4.454 -7.027 -0.643 1.00 30.51 N ATOM 1492 CA ALA A 93 -5.117 -6.917 -1.948 1.00 54.44 C ATOM 1493 C ALA A 93 -5.244 -8.303 -2.610 1.00 53.22 C ATOM 1494 O ALA A 93 -6.332 -8.696 -3.038 1.00 33.20 O ATOM 1495 CB ALA A 93 -4.358 -5.929 -2.845 1.00 31.41 C ATOM 0 H ALA A 93 -3.527 -6.602 -0.616 1.00 30.51 H new ATOM 0 HA ALA A 93 -6.126 -6.531 -1.802 1.00 54.44 H new ATOM 0 HB1 ALA A 93 -4.859 -5.855 -3.810 1.00 31.41 H new ATOM 0 HB2 ALA A 93 -4.339 -4.948 -2.371 1.00 31.41 H new ATOM 0 HB3 ALA A 93 -3.337 -6.281 -2.992 1.00 31.41 H new ATOM 1501 N LEU A 94 -4.123 -9.058 -2.624 1.00 33.51 N ATOM 1502 CA LEU A 94 -4.069 -10.435 -3.160 1.00 50.33 C ATOM 1503 C LEU A 94 -5.038 -11.364 -2.397 1.00 24.44 C ATOM 1504 O LEU A 94 -5.733 -12.184 -3.003 1.00 35.33 O ATOM 1505 CB LEU A 94 -2.617 -10.989 -3.083 1.00 52.33 C ATOM 1506 CG LEU A 94 -1.561 -10.276 -3.985 1.00 44.24 C ATOM 1507 CD1 LEU A 94 -0.150 -10.871 -3.786 1.00 42.53 C ATOM 1508 CD2 LEU A 94 -1.980 -10.320 -5.468 1.00 51.33 C ATOM 0 H LEU A 94 -3.228 -8.728 -2.263 1.00 33.51 H new ATOM 0 HA LEU A 94 -4.379 -10.405 -4.204 1.00 50.33 H new ATOM 0 HB2 LEU A 94 -2.281 -10.928 -2.048 1.00 52.33 H new ATOM 0 HB3 LEU A 94 -2.638 -12.046 -3.350 1.00 52.33 H new ATOM 0 HG LEU A 94 -1.520 -9.231 -3.679 1.00 44.24 H new ATOM 0 HD11 LEU A 94 0.559 -10.350 -4.430 1.00 42.53 H new ATOM 0 HD12 LEU A 94 0.151 -10.753 -2.745 1.00 42.53 H new ATOM 0 HD13 LEU A 94 -0.162 -11.930 -4.042 1.00 42.53 H new ATOM 0 HD21 LEU A 94 -1.227 -9.816 -6.074 1.00 51.33 H new ATOM 0 HD22 LEU A 94 -2.070 -11.357 -5.790 1.00 51.33 H new ATOM 0 HD23 LEU A 94 -2.939 -9.817 -5.590 1.00 51.33 H new ATOM 1520 N GLU A 95 -5.106 -11.178 -1.069 1.00 31.24 N ATOM 1521 CA GLU A 95 -6.039 -11.907 -0.188 1.00 52.44 C ATOM 1522 C GLU A 95 -7.515 -11.600 -0.576 1.00 14.31 C ATOM 1523 O GLU A 95 -8.401 -12.450 -0.418 1.00 12.04 O ATOM 1524 CB GLU A 95 -5.758 -11.521 1.290 1.00 72.42 C ATOM 1525 CG GLU A 95 -6.533 -12.328 2.346 1.00 2.51 C ATOM 1526 CD GLU A 95 -6.569 -11.644 3.716 1.00 20.24 C ATOM 1527 OE1 GLU A 95 -7.411 -10.739 3.898 1.00 22.24 O ATOM 1528 OE2 GLU A 95 -5.775 -11.996 4.613 1.00 1.44 O ATOM 0 H GLU A 95 -4.513 -10.514 -0.571 1.00 31.24 H new ATOM 0 HA GLU A 95 -5.885 -12.979 -0.308 1.00 52.44 H new ATOM 0 HB2 GLU A 95 -4.691 -11.637 1.481 1.00 72.42 H new ATOM 0 HB3 GLU A 95 -5.992 -10.465 1.422 1.00 72.42 H new ATOM 0 HG2 GLU A 95 -7.554 -12.485 1.998 1.00 2.51 H new ATOM 0 HG3 GLU A 95 -6.077 -13.312 2.450 1.00 2.51 H new ATOM 1535 N ALA A 96 -7.754 -10.395 -1.142 1.00 61.45 N ATOM 1536 CA ALA A 96 -9.093 -9.983 -1.609 1.00 4.42 C ATOM 1537 C ALA A 96 -9.384 -10.572 -3.009 1.00 52.42 C ATOM 1538 O ALA A 96 -10.538 -10.610 -3.439 1.00 3.33 O ATOM 1539 CB ALA A 96 -9.205 -8.445 -1.627 1.00 72.20 C ATOM 0 H ALA A 96 -7.031 -9.690 -1.286 1.00 61.45 H new ATOM 0 HA ALA A 96 -9.838 -10.372 -0.916 1.00 4.42 H new ATOM 0 HB1 ALA A 96 -10.197 -8.156 -1.973 1.00 72.20 H new ATOM 0 HB2 ALA A 96 -9.045 -8.057 -0.621 1.00 72.20 H new ATOM 0 HB3 ALA A 96 -8.452 -8.033 -2.299 1.00 72.20 H new ATOM 1545 N MET A 97 -8.323 -11.040 -3.711 1.00 62.44 N ATOM 1546 CA MET A 97 -8.435 -11.645 -5.064 1.00 22.05 C ATOM 1547 C MET A 97 -8.492 -13.187 -4.977 1.00 41.44 C ATOM 1548 O MET A 97 -8.482 -13.863 -6.014 1.00 64.42 O ATOM 1549 CB MET A 97 -7.223 -11.213 -5.943 1.00 72.31 C ATOM 1550 CG MET A 97 -7.105 -9.708 -6.130 1.00 45.13 C ATOM 1551 SD MET A 97 -8.590 -9.007 -6.868 1.00 31.34 S ATOM 1552 CE MET A 97 -8.271 -7.265 -6.673 1.00 32.23 C ATOM 0 H MET A 97 -7.367 -11.009 -3.357 1.00 62.44 H new ATOM 0 HA MET A 97 -9.359 -11.290 -5.520 1.00 22.05 H new ATOM 0 HB2 MET A 97 -6.305 -11.586 -5.488 1.00 72.31 H new ATOM 0 HB3 MET A 97 -7.309 -11.686 -6.921 1.00 72.31 H new ATOM 0 HG2 MET A 97 -6.921 -9.235 -5.165 1.00 45.13 H new ATOM 0 HG3 MET A 97 -6.245 -9.487 -6.763 1.00 45.13 H new ATOM 0 HE1 MET A 97 -9.217 -6.726 -6.618 1.00 32.23 H new ATOM 0 HE2 MET A 97 -7.705 -7.099 -5.756 1.00 32.23 H new ATOM 0 HE3 MET A 97 -7.696 -6.903 -7.525 1.00 32.23 H new ATOM 1562 N LYS A 98 -8.535 -13.717 -3.726 1.00 41.34 N ATOM 1563 CA LYS A 98 -8.488 -15.173 -3.420 1.00 65.14 C ATOM 1564 C LYS A 98 -7.088 -15.772 -3.699 1.00 73.51 C ATOM 1565 O LYS A 98 -6.905 -16.993 -3.655 1.00 61.21 O ATOM 1566 CB LYS A 98 -9.610 -15.967 -4.171 1.00 34.54 C ATOM 1567 CG LYS A 98 -11.062 -15.503 -3.871 1.00 24.31 C ATOM 1568 CD LYS A 98 -11.519 -15.799 -2.425 1.00 62.23 C ATOM 1569 CE LYS A 98 -11.614 -17.301 -2.110 1.00 71.12 C ATOM 1570 NZ LYS A 98 -12.592 -17.996 -2.984 1.00 42.34 N ATOM 0 H LYS A 98 -8.604 -13.137 -2.890 1.00 41.34 H new ATOM 0 HA LYS A 98 -8.681 -15.277 -2.352 1.00 65.14 H new ATOM 0 HB2 LYS A 98 -9.434 -15.886 -5.244 1.00 34.54 H new ATOM 0 HB3 LYS A 98 -9.522 -17.022 -3.912 1.00 34.54 H new ATOM 0 HG2 LYS A 98 -11.137 -14.431 -4.055 1.00 24.31 H new ATOM 0 HG3 LYS A 98 -11.743 -15.994 -4.566 1.00 24.31 H new ATOM 0 HD2 LYS A 98 -10.822 -15.333 -1.729 1.00 62.23 H new ATOM 0 HD3 LYS A 98 -12.492 -15.338 -2.258 1.00 62.23 H new ATOM 0 HE2 LYS A 98 -10.632 -17.759 -2.231 1.00 71.12 H new ATOM 0 HE3 LYS A 98 -11.902 -17.434 -1.067 1.00 71.12 H new ATOM 0 HZ1 LYS A 98 -12.737 -18.967 -2.640 1.00 42.34 H new ATOM 0 HZ2 LYS A 98 -13.497 -17.484 -2.967 1.00 42.34 H new ATOM 0 HZ3 LYS A 98 -12.228 -18.024 -3.958 1.00 42.34 H new ATOM 1584 N ASP A 99 -6.090 -14.888 -3.915 1.00 43.41 N ATOM 1585 CA ASP A 99 -4.679 -15.262 -4.177 1.00 15.04 C ATOM 1586 C ASP A 99 -3.923 -15.497 -2.858 1.00 4.31 C ATOM 1587 O ASP A 99 -2.770 -15.103 -2.741 1.00 32.24 O ATOM 1588 CB ASP A 99 -3.962 -14.139 -5.009 1.00 25.44 C ATOM 1589 CG ASP A 99 -4.353 -14.105 -6.488 1.00 63.22 C ATOM 1590 OD1 ASP A 99 -5.546 -13.953 -6.789 1.00 43.40 O ATOM 1591 OD2 ASP A 99 -3.464 -14.227 -7.363 1.00 32.34 O ATOM 0 H ASP A 99 -6.242 -13.879 -3.913 1.00 43.41 H new ATOM 0 HA ASP A 99 -4.675 -16.189 -4.751 1.00 15.04 H new ATOM 0 HB2 ASP A 99 -4.190 -13.171 -4.563 1.00 25.44 H new ATOM 0 HB3 ASP A 99 -2.884 -14.279 -4.933 1.00 25.44 H new ATOM 1596 N TYR A 100 -4.578 -16.166 -1.887 1.00 23.13 N ATOM 1597 CA TYR A 100 -4.008 -16.501 -0.557 1.00 30.52 C ATOM 1598 C TYR A 100 -2.609 -17.133 -0.660 1.00 71.41 C ATOM 1599 O TYR A 100 -1.736 -16.872 0.168 1.00 45.45 O ATOM 1600 CB TYR A 100 -4.952 -17.476 0.187 1.00 71.41 C ATOM 1601 CG TYR A 100 -6.406 -16.990 0.281 1.00 62.13 C ATOM 1602 CD1 TYR A 100 -6.700 -15.695 0.702 1.00 25.51 C ATOM 1603 CD2 TYR A 100 -7.479 -17.821 -0.038 1.00 5.51 C ATOM 1604 CE1 TYR A 100 -8.000 -15.257 0.799 1.00 0.23 C ATOM 1605 CE2 TYR A 100 -8.783 -17.382 0.059 1.00 64.13 C ATOM 1606 CZ TYR A 100 -9.040 -16.098 0.480 1.00 1.30 C ATOM 1607 OH TYR A 100 -10.343 -15.658 0.601 1.00 21.22 O ATOM 0 H TYR A 100 -5.536 -16.497 -2.003 1.00 23.13 H new ATOM 0 HA TYR A 100 -3.911 -15.566 -0.005 1.00 30.52 H new ATOM 0 HB2 TYR A 100 -4.934 -18.440 -0.321 1.00 71.41 H new ATOM 0 HB3 TYR A 100 -4.569 -17.639 1.194 1.00 71.41 H new ATOM 0 HD1 TYR A 100 -5.893 -15.024 0.957 1.00 25.51 H new ATOM 0 HD2 TYR A 100 -7.285 -18.831 -0.368 1.00 5.51 H new ATOM 0 HE1 TYR A 100 -8.205 -14.249 1.127 1.00 0.23 H new ATOM 0 HE2 TYR A 100 -9.598 -18.043 -0.194 1.00 64.13 H new ATOM 0 HH TYR A 100 -10.377 -14.690 0.449 1.00 21.22 H new ATOM 1617 N THR A 101 -2.439 -17.934 -1.716 1.00 51.24 N ATOM 1618 CA THR A 101 -1.197 -18.627 -2.037 1.00 13.51 C ATOM 1619 C THR A 101 -0.032 -17.637 -2.244 1.00 61.14 C ATOM 1620 O THR A 101 1.069 -17.861 -1.753 1.00 4.42 O ATOM 1621 CB THR A 101 -1.410 -19.494 -3.320 1.00 42.45 C ATOM 1622 OG1 THR A 101 -1.855 -18.658 -4.403 1.00 42.43 O ATOM 1623 CG2 THR A 101 -2.446 -20.611 -3.089 1.00 13.41 C ATOM 0 H THR A 101 -3.184 -18.120 -2.387 1.00 51.24 H new ATOM 0 HA THR A 101 -0.931 -19.269 -1.198 1.00 13.51 H new ATOM 0 HB THR A 101 -0.455 -19.958 -3.566 1.00 42.45 H new ATOM 0 HG1 THR A 101 -1.986 -19.205 -5.206 1.00 42.43 H new ATOM 0 HG21 THR A 101 -2.566 -21.191 -4.004 1.00 13.41 H new ATOM 0 HG22 THR A 101 -2.103 -21.265 -2.287 1.00 13.41 H new ATOM 0 HG23 THR A 101 -3.403 -20.168 -2.812 1.00 13.41 H new ATOM 1631 N LYS A 102 -0.294 -16.540 -2.976 1.00 24.41 N ATOM 1632 CA LYS A 102 0.728 -15.522 -3.291 1.00 3.24 C ATOM 1633 C LYS A 102 0.782 -14.437 -2.214 1.00 23.01 C ATOM 1634 O LYS A 102 1.836 -13.843 -1.974 1.00 3.22 O ATOM 1635 CB LYS A 102 0.470 -14.916 -4.692 1.00 62.02 C ATOM 1636 CG LYS A 102 0.622 -15.912 -5.872 1.00 61.22 C ATOM 1637 CD LYS A 102 2.011 -16.642 -5.925 1.00 11.15 C ATOM 1638 CE LYS A 102 2.001 -18.057 -5.290 1.00 15.22 C ATOM 1639 NZ LYS A 102 3.376 -18.584 -5.049 1.00 55.32 N ATOM 0 H LYS A 102 -1.214 -16.333 -3.365 1.00 24.41 H new ATOM 0 HA LYS A 102 1.703 -16.009 -3.306 1.00 3.24 H new ATOM 0 HB2 LYS A 102 -0.538 -14.502 -4.713 1.00 62.02 H new ATOM 0 HB3 LYS A 102 1.159 -14.086 -4.845 1.00 62.02 H new ATOM 0 HG2 LYS A 102 -0.167 -16.661 -5.804 1.00 61.22 H new ATOM 0 HG3 LYS A 102 0.471 -15.374 -6.808 1.00 61.22 H new ATOM 0 HD2 LYS A 102 2.329 -16.723 -6.965 1.00 11.15 H new ATOM 0 HD3 LYS A 102 2.752 -16.029 -5.412 1.00 11.15 H new ATOM 0 HE2 LYS A 102 1.457 -18.024 -4.346 1.00 15.22 H new ATOM 0 HE3 LYS A 102 1.462 -18.742 -5.945 1.00 15.22 H new ATOM 0 HZ1 LYS A 102 3.342 -19.620 -4.969 1.00 55.32 H new ATOM 0 HZ2 LYS A 102 3.994 -18.318 -5.842 1.00 55.32 H new ATOM 0 HZ3 LYS A 102 3.753 -18.181 -4.167 1.00 55.32 H new ATOM 1653 N ALA A 103 -0.364 -14.190 -1.569 1.00 44.23 N ATOM 1654 CA ALA A 103 -0.489 -13.214 -0.486 1.00 60.23 C ATOM 1655 C ALA A 103 0.386 -13.623 0.698 1.00 75.40 C ATOM 1656 O ALA A 103 1.127 -12.801 1.228 1.00 13.54 O ATOM 1657 CB ALA A 103 -1.954 -13.058 -0.054 1.00 24.40 C ATOM 0 H ALA A 103 -1.238 -14.668 -1.788 1.00 44.23 H new ATOM 0 HA ALA A 103 -0.145 -12.247 -0.853 1.00 60.23 H new ATOM 0 HB1 ALA A 103 -2.020 -12.327 0.752 1.00 24.40 H new ATOM 0 HB2 ALA A 103 -2.549 -12.718 -0.902 1.00 24.40 H new ATOM 0 HB3 ALA A 103 -2.335 -14.018 0.295 1.00 24.40 H new ATOM 1663 N MET A 104 0.320 -14.921 1.062 1.00 20.25 N ATOM 1664 CA MET A 104 1.087 -15.484 2.193 1.00 22.32 C ATOM 1665 C MET A 104 2.600 -15.372 1.975 1.00 52.44 C ATOM 1666 O MET A 104 3.359 -15.295 2.948 1.00 1.01 O ATOM 1667 CB MET A 104 0.697 -16.956 2.469 1.00 3.51 C ATOM 1668 CG MET A 104 1.149 -17.986 1.425 1.00 52.13 C ATOM 1669 SD MET A 104 0.753 -19.681 1.911 1.00 4.51 S ATOM 1670 CE MET A 104 -1.018 -19.584 2.179 1.00 23.34 C ATOM 0 H MET A 104 -0.264 -15.606 0.582 1.00 20.25 H new ATOM 0 HA MET A 104 0.828 -14.888 3.068 1.00 22.32 H new ATOM 0 HB2 MET A 104 1.111 -17.244 3.435 1.00 3.51 H new ATOM 0 HB3 MET A 104 -0.388 -17.012 2.557 1.00 3.51 H new ATOM 0 HG2 MET A 104 0.672 -17.764 0.470 1.00 52.13 H new ATOM 0 HG3 MET A 104 2.225 -17.897 1.273 1.00 52.13 H new ATOM 0 HE1 MET A 104 -1.414 -20.583 2.362 1.00 23.34 H new ATOM 0 HE2 MET A 104 -1.221 -18.950 3.042 1.00 23.34 H new ATOM 0 HE3 MET A 104 -1.497 -19.160 1.296 1.00 23.34 H new ATOM 1680 N ASP A 105 3.026 -15.370 0.695 1.00 43.43 N ATOM 1681 CA ASP A 105 4.427 -15.115 0.326 1.00 14.11 C ATOM 1682 C ASP A 105 4.799 -13.666 0.658 1.00 60.42 C ATOM 1683 O ASP A 105 5.872 -13.418 1.180 1.00 22.25 O ATOM 1684 CB ASP A 105 4.693 -15.390 -1.178 1.00 12.55 C ATOM 1685 CG ASP A 105 4.476 -16.857 -1.590 1.00 1.11 C ATOM 1686 OD1 ASP A 105 5.040 -17.761 -0.931 1.00 4.45 O ATOM 1687 OD2 ASP A 105 3.753 -17.115 -2.569 1.00 22.44 O ATOM 0 H ASP A 105 2.413 -15.544 -0.102 1.00 43.43 H new ATOM 0 HA ASP A 105 5.047 -15.800 0.904 1.00 14.11 H new ATOM 0 HB2 ASP A 105 4.039 -14.754 -1.775 1.00 12.55 H new ATOM 0 HB3 ASP A 105 5.718 -15.104 -1.414 1.00 12.55 H new ATOM 1692 N VAL A 106 3.866 -12.728 0.401 1.00 14.23 N ATOM 1693 CA VAL A 106 4.113 -11.281 0.565 1.00 35.24 C ATOM 1694 C VAL A 106 3.992 -10.883 2.065 1.00 21.31 C ATOM 1695 O VAL A 106 4.657 -9.947 2.518 1.00 21.14 O ATOM 1696 CB VAL A 106 3.130 -10.447 -0.348 1.00 61.33 C ATOM 1697 CG1 VAL A 106 3.406 -8.931 -0.264 1.00 40.10 C ATOM 1698 CG2 VAL A 106 3.196 -10.921 -1.820 1.00 70.23 C ATOM 0 H VAL A 106 2.925 -12.950 0.076 1.00 14.23 H new ATOM 0 HA VAL A 106 5.129 -11.051 0.243 1.00 35.24 H new ATOM 0 HB VAL A 106 2.124 -10.624 0.032 1.00 61.33 H new ATOM 0 HG11 VAL A 106 2.707 -8.398 -0.908 1.00 40.10 H new ATOM 0 HG12 VAL A 106 3.281 -8.595 0.765 1.00 40.10 H new ATOM 0 HG13 VAL A 106 4.426 -8.728 -0.590 1.00 40.10 H new ATOM 0 HG21 VAL A 106 2.509 -10.329 -2.424 1.00 70.23 H new ATOM 0 HG22 VAL A 106 4.211 -10.796 -2.197 1.00 70.23 H new ATOM 0 HG23 VAL A 106 2.915 -11.973 -1.877 1.00 70.23 H new ATOM 1708 N TYR A 107 3.168 -11.648 2.830 1.00 14.52 N ATOM 1709 CA TYR A 107 3.078 -11.533 4.307 1.00 60.22 C ATOM 1710 C TYR A 107 4.399 -12.010 4.938 1.00 22.53 C ATOM 1711 O TYR A 107 4.938 -11.359 5.838 1.00 52.11 O ATOM 1712 CB TYR A 107 1.890 -12.369 4.891 1.00 53.12 C ATOM 1713 CG TYR A 107 0.482 -11.814 4.606 1.00 22.40 C ATOM 1714 CD1 TYR A 107 0.115 -10.534 5.030 1.00 13.05 C ATOM 1715 CD2 TYR A 107 -0.489 -12.571 3.947 1.00 61.42 C ATOM 1716 CE1 TYR A 107 -1.153 -10.034 4.801 1.00 43.22 C ATOM 1717 CE2 TYR A 107 -1.753 -12.072 3.711 1.00 74.21 C ATOM 1718 CZ TYR A 107 -2.084 -10.806 4.140 1.00 24.12 C ATOM 1719 OH TYR A 107 -3.343 -10.308 3.905 1.00 52.41 O ATOM 0 H TYR A 107 2.550 -12.359 2.439 1.00 14.52 H new ATOM 0 HA TYR A 107 2.896 -10.486 4.548 1.00 60.22 H new ATOM 0 HB2 TYR A 107 1.950 -13.381 4.490 1.00 53.12 H new ATOM 0 HB3 TYR A 107 2.019 -12.445 5.971 1.00 53.12 H new ATOM 0 HD1 TYR A 107 0.838 -9.922 5.548 1.00 13.05 H new ATOM 0 HD2 TYR A 107 -0.245 -13.569 3.615 1.00 61.42 H new ATOM 0 HE1 TYR A 107 -1.413 -9.042 5.139 1.00 43.22 H new ATOM 0 HE2 TYR A 107 -2.483 -12.674 3.190 1.00 74.21 H new ATOM 0 HH TYR A 107 -4.013 -10.960 4.199 1.00 52.41 H new ATOM 1729 N GLN A 108 4.902 -13.154 4.415 1.00 54.40 N ATOM 1730 CA GLN A 108 6.184 -13.764 4.822 1.00 20.22 C ATOM 1731 C GLN A 108 7.316 -12.758 4.586 1.00 71.13 C ATOM 1732 O GLN A 108 8.111 -12.497 5.480 1.00 11.10 O ATOM 1733 CB GLN A 108 6.424 -15.084 4.005 1.00 63.33 C ATOM 1734 CG GLN A 108 7.520 -16.056 4.513 1.00 32.43 C ATOM 1735 CD GLN A 108 8.964 -15.598 4.273 1.00 73.50 C ATOM 1736 OE1 GLN A 108 9.518 -14.868 5.216 1.00 51.05 O flip ATOM 1737 NE2 GLN A 108 9.570 -15.890 3.242 1.00 21.04 N flip ATOM 0 H GLN A 108 4.420 -13.684 3.689 1.00 54.40 H new ATOM 0 HA GLN A 108 6.158 -14.020 5.881 1.00 20.22 H new ATOM 0 HB2 GLN A 108 5.482 -15.631 3.967 1.00 63.33 H new ATOM 0 HB3 GLN A 108 6.672 -14.804 2.981 1.00 63.33 H new ATOM 0 HG2 GLN A 108 7.378 -16.210 5.583 1.00 32.43 H new ATOM 0 HG3 GLN A 108 7.378 -17.023 4.030 1.00 32.43 H new ATOM 0 HE21 GLN A 108 9.116 -16.458 2.527 1.00 21.04 H new ATOM 0 HE22 GLN A 108 10.526 -15.564 3.103 1.00 21.04 H new ATOM 1746 N LYS A 109 7.339 -12.182 3.367 1.00 34.41 N ATOM 1747 CA LYS A 109 8.371 -11.224 2.942 1.00 53.40 C ATOM 1748 C LYS A 109 8.303 -9.929 3.756 1.00 21.35 C ATOM 1749 O LYS A 109 9.338 -9.360 4.068 1.00 70.55 O ATOM 1750 CB LYS A 109 8.262 -10.928 1.423 1.00 40.10 C ATOM 1751 CG LYS A 109 8.565 -12.141 0.517 1.00 54.41 C ATOM 1752 CD LYS A 109 9.987 -12.714 0.700 1.00 32.54 C ATOM 1753 CE LYS A 109 11.072 -11.716 0.284 1.00 2.41 C ATOM 1754 NZ LYS A 109 12.441 -12.265 0.446 1.00 0.34 N ATOM 0 H LYS A 109 6.639 -12.371 2.650 1.00 34.41 H new ATOM 0 HA LYS A 109 9.342 -11.682 3.131 1.00 53.40 H new ATOM 0 HB2 LYS A 109 7.256 -10.569 1.206 1.00 40.10 H new ATOM 0 HB3 LYS A 109 8.950 -10.121 1.172 1.00 40.10 H new ATOM 0 HG2 LYS A 109 7.837 -12.926 0.722 1.00 54.41 H new ATOM 0 HG3 LYS A 109 8.433 -11.847 -0.524 1.00 54.41 H new ATOM 0 HD2 LYS A 109 10.133 -12.992 1.744 1.00 32.54 H new ATOM 0 HD3 LYS A 109 10.088 -13.625 0.110 1.00 32.54 H new ATOM 0 HE2 LYS A 109 10.919 -11.431 -0.757 1.00 2.41 H new ATOM 0 HE3 LYS A 109 10.975 -10.809 0.880 1.00 2.41 H new ATOM 0 HZ1 LYS A 109 13.138 -11.552 0.151 1.00 0.34 H new ATOM 0 HZ2 LYS A 109 12.600 -12.513 1.443 1.00 0.34 H new ATOM 0 HZ3 LYS A 109 12.546 -13.116 -0.143 1.00 0.34 H new ATOM 1768 N ALA A 110 7.082 -9.494 4.108 1.00 10.13 N ATOM 1769 CA ALA A 110 6.863 -8.330 4.987 1.00 74.22 C ATOM 1770 C ALA A 110 7.490 -8.576 6.386 1.00 3.24 C ATOM 1771 O ALA A 110 8.194 -7.712 6.923 1.00 31.34 O ATOM 1772 CB ALA A 110 5.355 -8.031 5.081 1.00 70.34 C ATOM 0 H ALA A 110 6.219 -9.937 3.793 1.00 10.13 H new ATOM 0 HA ALA A 110 7.358 -7.456 4.563 1.00 74.22 H new ATOM 0 HB1 ALA A 110 5.194 -7.171 5.731 1.00 70.34 H new ATOM 0 HB2 ALA A 110 4.965 -7.813 4.087 1.00 70.34 H new ATOM 0 HB3 ALA A 110 4.837 -8.898 5.492 1.00 70.34 H new ATOM 1778 N LEU A 111 7.249 -9.788 6.934 1.00 2.42 N ATOM 1779 CA LEU A 111 7.858 -10.253 8.210 1.00 20.31 C ATOM 1780 C LEU A 111 9.392 -10.415 8.076 1.00 34.53 C ATOM 1781 O LEU A 111 10.146 -10.194 9.032 1.00 41.24 O ATOM 1782 CB LEU A 111 7.226 -11.616 8.625 1.00 74.11 C ATOM 1783 CG LEU A 111 5.698 -11.590 8.949 1.00 71.43 C ATOM 1784 CD1 LEU A 111 5.115 -13.015 9.081 1.00 63.13 C ATOM 1785 CD2 LEU A 111 5.415 -10.758 10.211 1.00 51.10 C ATOM 0 H LEU A 111 6.627 -10.475 6.507 1.00 2.42 H new ATOM 0 HA LEU A 111 7.659 -9.501 8.974 1.00 20.31 H new ATOM 0 HB2 LEU A 111 7.395 -12.332 7.821 1.00 74.11 H new ATOM 0 HB3 LEU A 111 7.757 -11.989 9.501 1.00 74.11 H new ATOM 0 HG LEU A 111 5.196 -11.111 8.108 1.00 71.43 H new ATOM 0 HD11 LEU A 111 4.050 -12.953 9.307 1.00 63.13 H new ATOM 0 HD12 LEU A 111 5.257 -13.554 8.144 1.00 63.13 H new ATOM 0 HD13 LEU A 111 5.626 -13.544 9.885 1.00 63.13 H new ATOM 0 HD21 LEU A 111 4.344 -10.757 10.413 1.00 51.10 H new ATOM 0 HD22 LEU A 111 5.944 -11.192 11.059 1.00 51.10 H new ATOM 0 HD23 LEU A 111 5.756 -9.734 10.056 1.00 51.10 H new ATOM 1797 N ASP A 112 9.817 -10.802 6.862 1.00 64.21 N ATOM 1798 CA ASP A 112 11.225 -11.065 6.500 1.00 31.24 C ATOM 1799 C ASP A 112 12.025 -9.748 6.434 1.00 12.03 C ATOM 1800 O ASP A 112 13.249 -9.746 6.604 1.00 60.10 O ATOM 1801 CB ASP A 112 11.264 -11.821 5.137 1.00 32.23 C ATOM 1802 CG ASP A 112 12.671 -12.257 4.686 1.00 4.21 C ATOM 1803 OD1 ASP A 112 13.357 -11.480 3.984 1.00 21.21 O ATOM 1804 OD2 ASP A 112 13.087 -13.394 5.000 1.00 4.53 O ATOM 0 H ASP A 112 9.175 -10.945 6.082 1.00 64.21 H new ATOM 0 HA ASP A 112 11.691 -11.687 7.264 1.00 31.24 H new ATOM 0 HB2 ASP A 112 10.629 -12.704 5.208 1.00 32.23 H new ATOM 0 HB3 ASP A 112 10.833 -11.180 4.368 1.00 32.23 H new ATOM 1809 N LEU A 113 11.312 -8.627 6.198 1.00 4.52 N ATOM 1810 CA LEU A 113 11.914 -7.283 6.204 1.00 14.41 C ATOM 1811 C LEU A 113 12.215 -6.847 7.652 1.00 25.03 C ATOM 1812 O LEU A 113 13.337 -6.406 7.943 1.00 51.44 O ATOM 1813 CB LEU A 113 10.995 -6.261 5.479 1.00 62.35 C ATOM 1814 CG LEU A 113 10.684 -6.574 3.982 1.00 21.34 C ATOM 1815 CD1 LEU A 113 9.694 -5.559 3.376 1.00 34.11 C ATOM 1816 CD2 LEU A 113 11.977 -6.688 3.143 1.00 50.23 C ATOM 0 H LEU A 113 10.311 -8.630 6.000 1.00 4.52 H new ATOM 0 HA LEU A 113 12.856 -7.316 5.656 1.00 14.41 H new ATOM 0 HB2 LEU A 113 10.052 -6.199 6.022 1.00 62.35 H new ATOM 0 HB3 LEU A 113 11.461 -5.277 5.536 1.00 62.35 H new ATOM 0 HG LEU A 113 10.195 -7.548 3.953 1.00 21.34 H new ATOM 0 HD11 LEU A 113 9.505 -5.813 2.333 1.00 34.11 H new ATOM 0 HD12 LEU A 113 8.757 -5.588 3.932 1.00 34.11 H new ATOM 0 HD13 LEU A 113 10.119 -4.557 3.434 1.00 34.11 H new ATOM 0 HD21 LEU A 113 11.720 -6.906 2.106 1.00 50.23 H new ATOM 0 HD22 LEU A 113 12.526 -5.747 3.190 1.00 50.23 H new ATOM 0 HD23 LEU A 113 12.599 -7.491 3.540 1.00 50.23 H new ATOM 1828 N ASP A 114 11.225 -7.013 8.565 1.00 2.40 N ATOM 1829 CA ASP A 114 11.416 -6.718 10.005 1.00 33.11 C ATOM 1830 C ASP A 114 10.294 -7.333 10.867 1.00 13.35 C ATOM 1831 O ASP A 114 9.130 -7.394 10.451 1.00 4.21 O ATOM 1832 CB ASP A 114 11.501 -5.182 10.262 1.00 4.14 C ATOM 1833 CG ASP A 114 12.173 -4.833 11.610 1.00 22.12 C ATOM 1834 OD1 ASP A 114 11.484 -4.793 12.654 1.00 72.34 O ATOM 1835 OD2 ASP A 114 13.409 -4.620 11.632 1.00 64.34 O ATOM 0 H ASP A 114 10.291 -7.348 8.329 1.00 2.40 H new ATOM 0 HA ASP A 114 12.362 -7.175 10.297 1.00 33.11 H new ATOM 0 HB2 ASP A 114 12.059 -4.714 9.452 1.00 4.14 H new ATOM 0 HB3 ASP A 114 10.496 -4.759 10.243 1.00 4.14 H new ATOM 1840 N SER A 115 10.672 -7.719 12.100 1.00 31.12 N ATOM 1841 CA SER A 115 9.790 -8.357 13.096 1.00 13.14 C ATOM 1842 C SER A 115 8.566 -7.474 13.438 1.00 15.11 C ATOM 1843 O SER A 115 7.443 -7.983 13.591 1.00 62.52 O ATOM 1844 CB SER A 115 10.624 -8.679 14.364 1.00 20.44 C ATOM 1845 OG SER A 115 11.292 -7.522 14.858 1.00 64.31 O ATOM 0 H SER A 115 11.625 -7.592 12.440 1.00 31.12 H new ATOM 0 HA SER A 115 9.391 -9.280 12.675 1.00 13.14 H new ATOM 0 HB2 SER A 115 9.970 -9.081 15.138 1.00 20.44 H new ATOM 0 HB3 SER A 115 11.357 -9.452 14.132 1.00 20.44 H new ATOM 0 HG SER A 115 11.807 -7.758 15.658 1.00 64.31 H new ATOM 1851 N SER A 116 8.781 -6.140 13.475 1.00 63.12 N ATOM 1852 CA SER A 116 7.717 -5.149 13.783 1.00 44.04 C ATOM 1853 C SER A 116 6.552 -5.200 12.772 1.00 30.34 C ATOM 1854 O SER A 116 5.505 -4.588 12.991 1.00 72.22 O ATOM 1855 CB SER A 116 8.308 -3.727 13.831 1.00 71.00 C ATOM 1856 OG SER A 116 8.839 -3.343 12.567 1.00 24.14 O ATOM 0 H SER A 116 9.692 -5.718 13.294 1.00 63.12 H new ATOM 0 HA SER A 116 7.312 -5.411 14.760 1.00 44.04 H new ATOM 0 HB2 SER A 116 7.535 -3.020 14.133 1.00 71.00 H new ATOM 0 HB3 SER A 116 9.093 -3.683 14.586 1.00 71.00 H new ATOM 0 HG SER A 116 9.724 -3.748 12.447 1.00 24.14 H new ATOM 1862 N CYS A 117 6.747 -5.928 11.664 1.00 63.33 N ATOM 1863 CA CYS A 117 5.703 -6.176 10.669 1.00 4.31 C ATOM 1864 C CYS A 117 4.726 -7.301 11.106 1.00 45.14 C ATOM 1865 O CYS A 117 4.032 -7.858 10.261 1.00 22.34 O ATOM 1866 CB CYS A 117 6.341 -6.500 9.309 1.00 14.44 C ATOM 1867 SG CYS A 117 5.144 -6.623 7.968 1.00 50.34 S ATOM 0 H CYS A 117 7.641 -6.363 11.434 1.00 63.33 H new ATOM 0 HA CYS A 117 5.110 -5.266 10.578 1.00 4.31 H new ATOM 0 HB2 CYS A 117 7.071 -5.728 9.065 1.00 14.44 H new ATOM 0 HB3 CYS A 117 6.886 -7.441 9.387 1.00 14.44 H new ATOM 0 HG CYS A 117 4.028 -7.109 8.425 1.00 50.34 H new ATOM 1873 N LYS A 118 4.715 -7.684 12.412 1.00 2.10 N ATOM 1874 CA LYS A 118 3.705 -8.644 12.979 1.00 61.05 C ATOM 1875 C LYS A 118 2.239 -8.437 12.479 1.00 34.22 C ATOM 1876 O LYS A 118 1.460 -9.388 12.486 1.00 60.34 O ATOM 1877 CB LYS A 118 3.693 -8.610 14.532 1.00 45.31 C ATOM 1878 CG LYS A 118 4.987 -9.073 15.220 1.00 32.52 C ATOM 1879 CD LYS A 118 5.470 -10.473 14.772 1.00 33.43 C ATOM 1880 CE LYS A 118 4.485 -11.608 15.094 1.00 12.12 C ATOM 1881 NZ LYS A 118 4.971 -12.916 14.562 1.00 51.23 N ATOM 0 H LYS A 118 5.391 -7.347 13.098 1.00 2.10 H new ATOM 0 HA LYS A 118 4.041 -9.613 12.609 1.00 61.05 H new ATOM 0 HB2 LYS A 118 3.478 -7.591 14.853 1.00 45.31 H new ATOM 0 HB3 LYS A 118 2.873 -9.235 14.884 1.00 45.31 H new ATOM 0 HG2 LYS A 118 5.774 -8.346 15.018 1.00 32.52 H new ATOM 0 HG3 LYS A 118 4.830 -9.082 16.299 1.00 32.52 H new ATOM 0 HD2 LYS A 118 5.651 -10.457 13.697 1.00 33.43 H new ATOM 0 HD3 LYS A 118 6.425 -10.687 15.252 1.00 33.43 H new ATOM 0 HE2 LYS A 118 4.350 -11.680 16.173 1.00 12.12 H new ATOM 0 HE3 LYS A 118 3.510 -11.378 14.665 1.00 12.12 H new ATOM 0 HZ1 LYS A 118 4.285 -13.662 14.795 1.00 51.23 H new ATOM 0 HZ2 LYS A 118 5.077 -12.853 13.529 1.00 51.23 H new ATOM 0 HZ3 LYS A 118 5.890 -13.145 14.991 1.00 51.23 H new ATOM 1895 N GLU A 119 1.882 -7.207 12.064 1.00 60.35 N ATOM 1896 CA GLU A 119 0.578 -6.885 11.419 1.00 21.34 C ATOM 1897 C GLU A 119 0.258 -7.825 10.216 1.00 72.14 C ATOM 1898 O GLU A 119 -0.896 -8.213 9.996 1.00 64.41 O ATOM 1899 CB GLU A 119 0.614 -5.403 10.952 1.00 3.24 C ATOM 1900 CG GLU A 119 1.742 -5.105 9.944 1.00 11.13 C ATOM 1901 CD GLU A 119 1.904 -3.624 9.606 1.00 73.23 C ATOM 1902 OE1 GLU A 119 1.051 -3.073 8.882 1.00 30.23 O ATOM 1903 OE2 GLU A 119 2.886 -3.002 10.060 1.00 51.21 O ATOM 0 H GLU A 119 2.491 -6.395 12.164 1.00 60.35 H new ATOM 0 HA GLU A 119 -0.215 -7.039 12.150 1.00 21.34 H new ATOM 0 HB2 GLU A 119 -0.344 -5.149 10.499 1.00 3.24 H new ATOM 0 HB3 GLU A 119 0.735 -4.758 11.823 1.00 3.24 H new ATOM 0 HG2 GLU A 119 2.683 -5.479 10.348 1.00 11.13 H new ATOM 0 HG3 GLU A 119 1.548 -5.657 9.024 1.00 11.13 H new ATOM 1910 N ALA A 120 1.310 -8.185 9.459 1.00 21.02 N ATOM 1911 CA ALA A 120 1.236 -9.116 8.324 1.00 74.04 C ATOM 1912 C ALA A 120 1.190 -10.585 8.793 1.00 12.43 C ATOM 1913 O ALA A 120 0.821 -11.466 8.016 1.00 12.22 O ATOM 1914 CB ALA A 120 2.436 -8.882 7.399 1.00 44.53 C ATOM 0 H ALA A 120 2.252 -7.829 9.624 1.00 21.02 H new ATOM 0 HA ALA A 120 0.311 -8.925 7.780 1.00 74.04 H new ATOM 0 HB1 ALA A 120 2.385 -9.571 6.556 1.00 44.53 H new ATOM 0 HB2 ALA A 120 2.417 -7.856 7.031 1.00 44.53 H new ATOM 0 HB3 ALA A 120 3.360 -9.053 7.951 1.00 44.53 H new ATOM 1920 N ALA A 121 1.588 -10.853 10.061 1.00 51.31 N ATOM 1921 CA ALA A 121 1.436 -12.192 10.670 1.00 1.23 C ATOM 1922 C ALA A 121 -0.038 -12.416 11.026 1.00 63.13 C ATOM 1923 O ALA A 121 -0.570 -13.503 10.823 1.00 61.45 O ATOM 1924 CB ALA A 121 2.339 -12.353 11.902 1.00 44.23 C ATOM 0 H ALA A 121 2.015 -10.161 10.677 1.00 51.31 H new ATOM 0 HA ALA A 121 1.749 -12.948 9.950 1.00 1.23 H new ATOM 0 HB1 ALA A 121 2.203 -13.348 12.325 1.00 44.23 H new ATOM 0 HB2 ALA A 121 3.381 -12.223 11.609 1.00 44.23 H new ATOM 0 HB3 ALA A 121 2.075 -11.602 12.647 1.00 44.23 H new ATOM 1930 N ASP A 122 -0.695 -11.349 11.530 1.00 63.11 N ATOM 1931 CA ASP A 122 -2.156 -11.331 11.737 1.00 35.11 C ATOM 1932 C ASP A 122 -2.864 -11.558 10.395 1.00 55.05 C ATOM 1933 O ASP A 122 -3.802 -12.360 10.296 1.00 43.13 O ATOM 1934 CB ASP A 122 -2.616 -9.983 12.348 1.00 44.21 C ATOM 1935 CG ASP A 122 -2.051 -9.716 13.750 1.00 41.53 C ATOM 1936 OD1 ASP A 122 -2.673 -10.130 14.755 1.00 25.54 O ATOM 1937 OD2 ASP A 122 -0.977 -9.103 13.854 1.00 20.22 O ATOM 0 H ASP A 122 -0.230 -10.483 11.802 1.00 63.11 H new ATOM 0 HA ASP A 122 -2.416 -12.128 12.434 1.00 35.11 H new ATOM 0 HB2 ASP A 122 -2.316 -9.172 11.684 1.00 44.21 H new ATOM 0 HB3 ASP A 122 -3.705 -9.969 12.396 1.00 44.21 H new ATOM 1942 N GLY A 123 -2.359 -10.845 9.366 1.00 20.02 N ATOM 1943 CA GLY A 123 -2.835 -10.988 7.999 1.00 32.00 C ATOM 1944 C GLY A 123 -2.582 -12.376 7.419 1.00 30.41 C ATOM 1945 O GLY A 123 -3.369 -12.851 6.601 1.00 15.10 O ATOM 0 H GLY A 123 -1.612 -10.159 9.473 1.00 20.02 H new ATOM 0 HA2 GLY A 123 -3.904 -10.778 7.969 1.00 32.00 H new ATOM 0 HA3 GLY A 123 -2.346 -10.244 7.371 1.00 32.00 H new ATOM 1949 N TYR A 124 -1.475 -13.023 7.831 1.00 1.11 N ATOM 1950 CA TYR A 124 -1.135 -14.382 7.380 1.00 63.34 C ATOM 1951 C TYR A 124 -2.124 -15.417 7.941 1.00 4.13 C ATOM 1952 O TYR A 124 -2.712 -16.171 7.172 1.00 13.32 O ATOM 1953 CB TYR A 124 0.327 -14.755 7.761 1.00 12.54 C ATOM 1954 CG TYR A 124 0.714 -16.208 7.426 1.00 60.31 C ATOM 1955 CD1 TYR A 124 0.583 -16.703 6.126 1.00 13.05 C ATOM 1956 CD2 TYR A 124 1.185 -17.091 8.404 1.00 62.54 C ATOM 1957 CE1 TYR A 124 0.903 -18.011 5.819 1.00 13.40 C ATOM 1958 CE2 TYR A 124 1.509 -18.399 8.095 1.00 65.25 C ATOM 1959 CZ TYR A 124 1.364 -18.854 6.801 1.00 61.44 C ATOM 1960 OH TYR A 124 1.679 -20.162 6.495 1.00 74.40 O ATOM 0 H TYR A 124 -0.798 -12.621 8.480 1.00 1.11 H new ATOM 0 HA TYR A 124 -1.212 -14.395 6.293 1.00 63.34 H new ATOM 0 HB2 TYR A 124 1.009 -14.080 7.244 1.00 12.54 H new ATOM 0 HB3 TYR A 124 0.466 -14.591 8.830 1.00 12.54 H new ATOM 0 HD1 TYR A 124 0.224 -16.049 5.345 1.00 13.05 H new ATOM 0 HD2 TYR A 124 1.298 -16.744 9.420 1.00 62.54 H new ATOM 0 HE1 TYR A 124 0.791 -18.371 4.807 1.00 13.40 H new ATOM 0 HE2 TYR A 124 1.875 -19.063 8.865 1.00 65.25 H new ATOM 0 HH TYR A 124 1.991 -20.621 7.303 1.00 74.40 H new ATOM 1970 N GLN A 125 -2.291 -15.433 9.280 1.00 1.32 N ATOM 1971 CA GLN A 125 -3.207 -16.363 9.988 1.00 74.42 C ATOM 1972 C GLN A 125 -4.621 -16.392 9.363 1.00 44.23 C ATOM 1973 O GLN A 125 -5.187 -17.474 9.168 1.00 11.15 O ATOM 1974 CB GLN A 125 -3.262 -16.002 11.511 1.00 31.52 C ATOM 1975 CG GLN A 125 -2.251 -16.759 12.410 1.00 41.42 C ATOM 1976 CD GLN A 125 -0.817 -16.770 11.878 1.00 43.41 C ATOM 1977 OE1 GLN A 125 -0.058 -15.739 12.198 1.00 42.51 O flip ATOM 1978 NE2 GLN A 125 -0.402 -17.687 11.162 1.00 11.45 N flip ATOM 0 H GLN A 125 -1.794 -14.800 9.907 1.00 1.32 H new ATOM 0 HA GLN A 125 -2.807 -17.371 9.878 1.00 74.42 H new ATOM 0 HB2 GLN A 125 -3.089 -14.931 11.620 1.00 31.52 H new ATOM 0 HB3 GLN A 125 -4.269 -16.201 11.878 1.00 31.52 H new ATOM 0 HG2 GLN A 125 -2.254 -16.306 13.401 1.00 41.42 H new ATOM 0 HG3 GLN A 125 -2.589 -17.788 12.529 1.00 41.42 H new ATOM 0 HE21 GLN A 125 -1.013 -18.471 10.932 1.00 11.45 H new ATOM 0 HE22 GLN A 125 0.552 -17.660 10.801 1.00 11.45 H new ATOM 1987 N ARG A 126 -5.165 -15.205 9.018 1.00 35.05 N ATOM 1988 CA ARG A 126 -6.487 -15.100 8.364 1.00 44.53 C ATOM 1989 C ARG A 126 -6.437 -15.461 6.856 1.00 2.23 C ATOM 1990 O ARG A 126 -7.458 -15.853 6.296 1.00 54.35 O ATOM 1991 CB ARG A 126 -7.106 -13.689 8.566 1.00 21.41 C ATOM 1992 CG ARG A 126 -6.204 -12.519 8.124 1.00 32.10 C ATOM 1993 CD ARG A 126 -6.942 -11.166 8.044 1.00 24.21 C ATOM 1994 NE ARG A 126 -7.798 -11.092 6.852 1.00 50.23 N ATOM 1995 CZ ARG A 126 -9.146 -11.102 6.828 1.00 52.32 C ATOM 1996 NH1 ARG A 126 -9.852 -11.179 7.951 1.00 31.23 N ATOM 1997 NH2 ARG A 126 -9.757 -11.038 5.655 1.00 73.31 N ATOM 0 H ARG A 126 -4.709 -14.307 9.181 1.00 35.05 H new ATOM 0 HA ARG A 126 -7.129 -15.835 8.850 1.00 44.53 H new ATOM 0 HB2 ARG A 126 -8.043 -13.636 8.012 1.00 21.41 H new ATOM 0 HB3 ARG A 126 -7.351 -13.562 9.621 1.00 21.41 H new ATOM 0 HG2 ARG A 126 -5.372 -12.429 8.822 1.00 32.10 H new ATOM 0 HG3 ARG A 126 -5.777 -12.749 7.148 1.00 32.10 H new ATOM 0 HD2 ARG A 126 -7.549 -11.027 8.939 1.00 24.21 H new ATOM 0 HD3 ARG A 126 -6.215 -10.354 8.023 1.00 24.21 H new ATOM 0 HE ARG A 126 -7.324 -11.026 5.951 1.00 50.23 H new ATOM 0 HH11 ARG A 126 -9.375 -11.232 8.851 1.00 31.23 H new ATOM 0 HH12 ARG A 126 -10.871 -11.185 7.913 1.00 31.23 H new ATOM 0 HH21 ARG A 126 -9.209 -10.983 4.797 1.00 73.31 H new ATOM 0 HH22 ARG A 126 -10.776 -11.044 5.610 1.00 73.31 H new ATOM 2011 N CYS A 127 -5.249 -15.357 6.220 1.00 21.52 N ATOM 2012 CA CYS A 127 -5.073 -15.611 4.764 1.00 64.32 C ATOM 2013 C CYS A 127 -5.013 -17.119 4.469 1.00 74.13 C ATOM 2014 O CYS A 127 -5.749 -17.631 3.617 1.00 30.12 O ATOM 2015 CB CYS A 127 -3.785 -14.925 4.253 1.00 1.40 C ATOM 2016 SG CYS A 127 -3.502 -15.067 2.479 1.00 11.42 S ATOM 0 H CYS A 127 -4.385 -15.096 6.695 1.00 21.52 H new ATOM 0 HA CYS A 127 -5.934 -15.192 4.243 1.00 64.32 H new ATOM 0 HB2 CYS A 127 -3.825 -13.868 4.516 1.00 1.40 H new ATOM 0 HB3 CYS A 127 -2.931 -15.352 4.778 1.00 1.40 H new ATOM 0 HG CYS A 127 -2.653 -16.025 2.250 1.00 11.42 H new ATOM 2022 N MET A 128 -4.116 -17.821 5.195 1.00 41.45 N ATOM 2023 CA MET A 128 -3.953 -19.284 5.086 1.00 24.13 C ATOM 2024 C MET A 128 -5.247 -20.014 5.495 1.00 10.52 C ATOM 2025 O MET A 128 -5.661 -20.965 4.832 1.00 14.42 O ATOM 2026 CB MET A 128 -2.743 -19.784 5.936 1.00 25.44 C ATOM 2027 CG MET A 128 -2.783 -19.405 7.426 1.00 54.23 C ATOM 2028 SD MET A 128 -1.560 -20.288 8.421 1.00 4.32 S ATOM 2029 CE MET A 128 -2.186 -21.966 8.322 1.00 43.23 C ATOM 0 H MET A 128 -3.487 -17.389 5.871 1.00 41.45 H new ATOM 0 HA MET A 128 -3.746 -19.517 4.041 1.00 24.13 H new ATOM 0 HB2 MET A 128 -2.688 -20.870 5.856 1.00 25.44 H new ATOM 0 HB3 MET A 128 -1.826 -19.386 5.502 1.00 25.44 H new ATOM 0 HG2 MET A 128 -2.616 -18.332 7.526 1.00 54.23 H new ATOM 0 HG3 MET A 128 -3.778 -19.611 7.820 1.00 54.23 H new ATOM 0 HE1 MET A 128 -1.790 -22.552 9.152 1.00 43.23 H new ATOM 0 HE2 MET A 128 -3.275 -21.952 8.375 1.00 43.23 H new ATOM 0 HE3 MET A 128 -1.874 -22.416 7.379 1.00 43.23 H new ATOM 2039 N MET A 129 -5.907 -19.530 6.570 1.00 3.23 N ATOM 2040 CA MET A 129 -7.163 -20.128 7.053 1.00 44.22 C ATOM 2041 C MET A 129 -8.306 -19.887 6.046 1.00 44.12 C ATOM 2042 O MET A 129 -9.198 -20.711 5.923 1.00 21.14 O ATOM 2043 CB MET A 129 -7.559 -19.595 8.474 1.00 33.22 C ATOM 2044 CG MET A 129 -8.413 -18.317 8.484 1.00 22.23 C ATOM 2045 SD MET A 129 -8.945 -17.793 10.127 1.00 60.13 S ATOM 2046 CE MET A 129 -10.206 -16.597 9.677 1.00 51.23 C ATOM 0 H MET A 129 -5.589 -18.729 7.116 1.00 3.23 H new ATOM 0 HA MET A 129 -6.996 -21.201 7.142 1.00 44.22 H new ATOM 0 HB2 MET A 129 -8.104 -20.380 8.999 1.00 33.22 H new ATOM 0 HB3 MET A 129 -6.647 -19.407 9.040 1.00 33.22 H new ATOM 0 HG2 MET A 129 -7.843 -17.509 8.025 1.00 22.23 H new ATOM 0 HG3 MET A 129 -9.295 -18.478 7.863 1.00 22.23 H new ATOM 0 HE1 MET A 129 -10.643 -16.171 10.580 1.00 51.23 H new ATOM 0 HE2 MET A 129 -9.757 -15.802 9.082 1.00 51.23 H new ATOM 0 HE3 MET A 129 -10.985 -17.091 9.095 1.00 51.23 H new ATOM 2056 N ALA A 130 -8.240 -18.753 5.313 1.00 53.31 N ATOM 2057 CA ALA A 130 -9.313 -18.309 4.395 1.00 3.24 C ATOM 2058 C ALA A 130 -9.547 -19.292 3.234 1.00 24.23 C ATOM 2059 O ALA A 130 -10.633 -19.325 2.654 1.00 54.13 O ATOM 2060 CB ALA A 130 -9.001 -16.918 3.861 1.00 62.35 C ATOM 0 H ALA A 130 -7.441 -18.120 5.341 1.00 53.31 H new ATOM 0 HA ALA A 130 -10.238 -18.279 4.971 1.00 3.24 H new ATOM 0 HB1 ALA A 130 -9.796 -16.600 3.187 1.00 62.35 H new ATOM 0 HB2 ALA A 130 -8.929 -16.217 4.692 1.00 62.35 H new ATOM 0 HB3 ALA A 130 -8.054 -16.939 3.321 1.00 62.35 H new ATOM 2066 N GLN A 131 -8.508 -20.064 2.879 1.00 44.21 N ATOM 2067 CA GLN A 131 -8.638 -21.184 1.921 1.00 22.54 C ATOM 2068 C GLN A 131 -8.854 -22.520 2.647 1.00 40.04 C ATOM 2069 O GLN A 131 -9.418 -23.448 2.066 1.00 12.43 O ATOM 2070 CB GLN A 131 -7.407 -21.271 0.972 1.00 62.24 C ATOM 2071 CG GLN A 131 -6.037 -21.201 1.652 1.00 63.14 C ATOM 2072 CD GLN A 131 -4.872 -21.475 0.699 1.00 70.04 C ATOM 2073 OE1 GLN A 131 -5.023 -22.168 -0.310 1.00 52.24 O ATOM 2074 NE2 GLN A 131 -3.696 -20.982 1.033 1.00 1.14 N ATOM 0 H GLN A 131 -7.563 -19.936 3.240 1.00 44.21 H new ATOM 0 HA GLN A 131 -9.519 -20.982 1.311 1.00 22.54 H new ATOM 0 HB2 GLN A 131 -7.467 -22.205 0.414 1.00 62.24 H new ATOM 0 HB3 GLN A 131 -7.473 -20.461 0.246 1.00 62.24 H new ATOM 0 HG2 GLN A 131 -5.910 -20.213 2.095 1.00 63.14 H new ATOM 0 HG3 GLN A 131 -6.007 -21.923 2.468 1.00 63.14 H new ATOM 0 HE21 GLN A 131 -3.602 -20.412 1.874 1.00 1.14 H new ATOM 0 HE22 GLN A 131 -2.880 -21.170 0.451 1.00 1.14 H new ATOM 2083 N TYR A 132 -8.394 -22.625 3.909 1.00 41.03 N ATOM 2084 CA TYR A 132 -8.544 -23.862 4.722 1.00 55.41 C ATOM 2085 C TYR A 132 -9.736 -23.718 5.701 1.00 70.11 C ATOM 2086 O TYR A 132 -9.682 -24.217 6.832 1.00 63.52 O ATOM 2087 CB TYR A 132 -7.225 -24.157 5.514 1.00 62.34 C ATOM 2088 CG TYR A 132 -5.914 -24.180 4.702 1.00 31.31 C ATOM 2089 CD1 TYR A 132 -5.894 -24.449 3.328 1.00 54.32 C ATOM 2090 CD2 TYR A 132 -4.682 -23.924 5.324 1.00 42.50 C ATOM 2091 CE1 TYR A 132 -4.713 -24.452 2.614 1.00 12.53 C ATOM 2092 CE2 TYR A 132 -3.499 -23.929 4.611 1.00 63.52 C ATOM 2093 CZ TYR A 132 -3.516 -24.196 3.254 1.00 62.30 C ATOM 2094 OH TYR A 132 -2.335 -24.204 2.539 1.00 61.41 O ATOM 0 H TYR A 132 -7.913 -21.868 4.395 1.00 41.03 H new ATOM 0 HA TYR A 132 -8.741 -24.698 4.051 1.00 55.41 H new ATOM 0 HB2 TYR A 132 -7.125 -23.407 6.298 1.00 62.34 H new ATOM 0 HB3 TYR A 132 -7.335 -25.122 6.008 1.00 62.34 H new ATOM 0 HD1 TYR A 132 -6.822 -24.658 2.816 1.00 54.32 H new ATOM 0 HD2 TYR A 132 -4.659 -23.718 6.384 1.00 42.50 H new ATOM 0 HE1 TYR A 132 -4.725 -24.655 1.553 1.00 12.53 H new ATOM 0 HE2 TYR A 132 -2.564 -23.725 5.111 1.00 63.52 H new ATOM 0 HH TYR A 132 -1.587 -24.004 3.140 1.00 61.41 H new ATOM 2104 N ASN A 133 -10.824 -23.049 5.254 1.00 11.50 N ATOM 2105 CA ASN A 133 -12.057 -22.880 6.056 1.00 10.04 C ATOM 2106 C ASN A 133 -12.922 -24.157 5.922 1.00 44.00 C ATOM 2107 O ASN A 133 -12.754 -25.086 6.732 1.00 62.00 O ATOM 2108 CB ASN A 133 -12.869 -21.610 5.621 1.00 74.50 C ATOM 2109 CG ASN A 133 -12.252 -20.260 6.002 1.00 73.43 C ATOM 2110 OD1 ASN A 133 -12.389 -19.283 5.265 1.00 13.31 O ATOM 2111 ND2 ASN A 133 -11.633 -20.161 7.174 1.00 13.02 N ATOM 2112 OXT ASN A 133 -13.735 -24.246 4.975 1.00 37.11 O ATOM 0 H ASN A 133 -10.872 -22.614 4.333 1.00 11.50 H new ATOM 0 HA ASN A 133 -11.777 -22.731 7.099 1.00 10.04 H new ATOM 0 HB2 ASN A 133 -12.997 -21.637 4.539 1.00 74.50 H new ATOM 0 HB3 ASN A 133 -13.864 -21.670 6.061 1.00 74.50 H new ATOM 0 HD21 ASN A 133 -11.260 -19.262 7.479 1.00 13.02 H new ATOM 0 HD22 ASN A 133 -11.531 -20.984 7.768 1.00 13.02 H new TER 2119 ASN A 133