USER MOD reduce.3.24.130724 H: found=0, std=0, add=1129, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1118 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 81 MET CE :methyl 143:sc= -3.73! (180deg=-4.88!) USER MOD Set 1.2: A 130 THR OG1 : rot 46:sc= 0.568 USER MOD Set 2.1: A 92 THR OG1 : rot -150:sc= -0.0517 USER MOD Set 2.2: A 116 MET CE :methyl 157:sc= -0.0517 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.3 K(o=-1.9,f=-4.3!) USER MOD Set 3.2: A 105 THR OG1 : rot 120:sc= -0.574 USER MOD Set 4.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 28 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0136 (180deg=-0.363) USER MOD Single : A 3 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.099 X(o=-0.099,f=-0.49) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 6 HIS : no HD1:sc= 0.44 K(o=0.44,f=-1.7) USER MOD Single : A 7 HIS : no HD1:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.0047) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.506 USER MOD Single : A 55 ASN :FLIP amide:sc= -2.55 F(o=-3.1,f=-2.5) USER MOD Single : A 60 CYS SG : rot 90:sc= 0.738 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.114) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -116:sc= 1.14 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc=-0.00131 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= -0.0794 (180deg=-0.503) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -35:sc= 0.0742 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 97:sc= 1.25 USER MOD Single : A 126 SER OG : rot -54:sc= 0.634 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -1.88 X(o=-1.9,f=-2) USER MOD Single : A 136 THR OG1 : rot -68:sc= -0.0858 USER MOD Single : A 137 HIS : no HD1:sc=-0.00519 X(o=-0.0052,f=-0.34) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 SER OG : rot 43:sc= 0.00692 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.672 -1.324 -2.827 1.00 51.13 N ATOM 2 CA MET A 1 -0.197 -0.104 -2.185 1.00 22.12 C ATOM 3 C MET A 1 1.314 0.039 -2.340 1.00 30.35 C ATOM 4 O MET A 1 2.046 -0.950 -2.309 1.00 5.31 O ATOM 5 CB MET A 1 -0.572 -0.104 -0.701 1.00 65.25 C ATOM 6 CG MET A 1 -1.996 -0.564 -0.434 1.00 44.05 C ATOM 7 SD MET A 1 -2.524 -0.241 1.259 1.00 24.31 S ATOM 8 CE MET A 1 -3.479 1.257 1.036 1.00 34.01 C ATOM 0 H1 MET A 1 -1.698 -1.258 -2.981 1.00 51.13 H new ATOM 0 H2 MET A 1 -0.192 -1.445 -3.742 1.00 51.13 H new ATOM 0 H3 MET A 1 -0.465 -2.141 -2.217 1.00 51.13 H new ATOM 0 HA MET A 1 -0.676 0.744 -2.673 1.00 22.12 H new ATOM 0 HB2 MET A 1 0.118 -0.752 -0.160 1.00 65.25 H new ATOM 0 HB3 MET A 1 -0.443 0.902 -0.302 1.00 65.25 H new ATOM 0 HG2 MET A 1 -2.672 -0.059 -1.124 1.00 44.05 H new ATOM 0 HG3 MET A 1 -2.073 -1.632 -0.637 1.00 44.05 H new ATOM 0 HE1 MET A 1 -3.874 1.583 1.998 1.00 34.01 H new ATOM 0 HE2 MET A 1 -2.840 2.037 0.622 1.00 34.01 H new ATOM 0 HE3 MET A 1 -4.305 1.063 0.352 1.00 34.01 H new ATOM 18 N ALA A 2 1.773 1.275 -2.506 1.00 61.30 N ATOM 19 CA ALA A 2 3.196 1.546 -2.664 1.00 45.10 C ATOM 20 C ALA A 2 3.720 2.412 -1.524 1.00 1.35 C ATOM 21 O ALA A 2 2.944 3.009 -0.776 1.00 73.34 O ATOM 22 CB ALA A 2 3.460 2.218 -4.004 1.00 22.25 C ATOM 0 H ALA A 2 1.180 2.104 -2.535 1.00 61.30 H new ATOM 0 HA ALA A 2 3.727 0.594 -2.636 1.00 45.10 H new ATOM 0 HB1 ALA A 2 4.527 2.415 -4.108 1.00 22.25 H new ATOM 0 HB2 ALA A 2 3.131 1.563 -4.811 1.00 22.25 H new ATOM 0 HB3 ALA A 2 2.911 3.158 -4.054 1.00 22.25 H new ATOM 28 N HIS A 3 5.042 2.477 -1.394 1.00 55.12 N ATOM 29 CA HIS A 3 5.669 3.271 -0.344 1.00 11.03 C ATOM 30 C HIS A 3 7.175 3.372 -0.565 1.00 40.12 C ATOM 31 O HIS A 3 7.773 2.525 -1.230 1.00 3.51 O ATOM 32 CB HIS A 3 5.383 2.658 1.028 1.00 63.15 C ATOM 33 CG HIS A 3 5.903 1.261 1.179 1.00 11.42 C ATOM 34 ND1 HIS A 3 6.999 0.946 1.955 1.00 53.14 N ATOM 35 CD2 HIS A 3 5.469 0.093 0.651 1.00 42.24 C ATOM 36 CE1 HIS A 3 7.218 -0.355 1.895 1.00 73.30 C ATOM 37 NE2 HIS A 3 6.303 -0.896 1.110 1.00 20.25 N ATOM 0 H HIS A 3 5.699 1.989 -2.003 1.00 55.12 H new ATOM 0 HA HIS A 3 5.246 4.275 -0.380 1.00 11.03 H new ATOM 0 HB2 HIS A 3 5.828 3.288 1.798 1.00 63.15 H new ATOM 0 HB3 HIS A 3 4.307 2.657 1.199 1.00 63.15 H new ATOM 0 HD2 HIS A 3 4.624 -0.037 -0.009 1.00 42.24 H new ATOM 0 HE1 HIS A 3 8.010 -0.886 2.401 1.00 73.30 H new ATOM 0 HE2 HIS A 3 6.229 -1.887 0.882 1.00 20.25 H new ATOM 45 N HIS A 4 7.782 4.413 -0.005 1.00 2.41 N ATOM 46 CA HIS A 4 9.219 4.625 -0.142 1.00 11.24 C ATOM 47 C HIS A 4 9.631 4.625 -1.611 1.00 13.13 C ATOM 48 O HIS A 4 10.406 3.774 -2.049 1.00 12.32 O ATOM 49 CB HIS A 4 9.990 3.544 0.616 1.00 34.22 C ATOM 50 CG HIS A 4 11.408 3.918 0.916 1.00 4.21 C ATOM 51 ND1 HIS A 4 11.823 5.222 1.086 1.00 53.41 N ATOM 52 CD2 HIS A 4 12.511 3.150 1.078 1.00 3.53 C ATOM 53 CE1 HIS A 4 13.119 5.241 1.338 1.00 64.22 C ATOM 54 NE2 HIS A 4 13.561 3.996 1.339 1.00 3.11 N ATOM 0 H HIS A 4 7.302 5.123 0.548 1.00 2.41 H new ATOM 0 HA HIS A 4 9.460 5.599 0.284 1.00 11.24 H new ATOM 0 HB2 HIS A 4 9.474 3.330 1.552 1.00 34.22 H new ATOM 0 HB3 HIS A 4 9.982 2.625 0.030 1.00 34.22 H new ATOM 0 HD2 HIS A 4 12.557 2.073 1.014 1.00 3.53 H new ATOM 0 HE1 HIS A 4 13.716 6.124 1.513 1.00 64.22 H new ATOM 0 HE2 HIS A 4 14.526 3.710 1.506 1.00 3.11 H new ATOM 62 N HIS A 5 9.106 5.584 -2.367 1.00 64.04 N ATOM 63 CA HIS A 5 9.419 5.694 -3.788 1.00 5.12 C ATOM 64 C HIS A 5 9.453 7.155 -4.225 1.00 53.41 C ATOM 65 O HIS A 5 8.935 8.033 -3.534 1.00 33.04 O ATOM 66 CB HIS A 5 8.393 4.924 -4.619 1.00 50.11 C ATOM 67 CG HIS A 5 8.851 3.555 -5.019 1.00 1.34 C ATOM 68 ND1 HIS A 5 8.411 2.404 -4.400 1.00 4.12 N ATOM 69 CD2 HIS A 5 9.714 3.157 -5.982 1.00 23.30 C ATOM 70 CE1 HIS A 5 8.986 1.357 -4.964 1.00 74.32 C ATOM 71 NE2 HIS A 5 9.781 1.786 -5.928 1.00 13.14 N ATOM 0 H HIS A 5 8.463 6.295 -2.020 1.00 64.04 H new ATOM 0 HA HIS A 5 10.406 5.261 -3.952 1.00 5.12 H new ATOM 0 HB2 HIS A 5 7.468 4.836 -4.049 1.00 50.11 H new ATOM 0 HB3 HIS A 5 8.161 5.497 -5.517 1.00 50.11 H new ATOM 0 HD2 HIS A 5 10.250 3.798 -6.666 1.00 23.30 H new ATOM 0 HE1 HIS A 5 8.832 0.325 -4.684 1.00 74.32 H new ATOM 0 HE2 HIS A 5 10.351 1.196 -6.533 1.00 13.14 H new ATOM 79 N HIS A 6 10.066 7.410 -5.377 1.00 31.23 N ATOM 80 CA HIS A 6 10.167 8.765 -5.906 1.00 54.22 C ATOM 81 C HIS A 6 9.813 8.796 -7.390 1.00 44.41 C ATOM 82 O HIS A 6 8.743 9.269 -7.774 1.00 70.12 O ATOM 83 CB HIS A 6 11.578 9.315 -5.694 1.00 74.42 C ATOM 84 CG HIS A 6 11.851 9.735 -4.283 1.00 12.40 C ATOM 85 ND1 HIS A 6 12.202 8.848 -3.288 1.00 4.13 N ATOM 86 CD2 HIS A 6 11.824 10.958 -3.703 1.00 20.03 C ATOM 87 CE1 HIS A 6 12.378 9.506 -2.156 1.00 3.40 C ATOM 88 NE2 HIS A 6 12.155 10.789 -2.381 1.00 23.31 N ATOM 0 H HIS A 6 10.500 6.696 -5.962 1.00 31.23 H new ATOM 0 HA HIS A 6 9.457 9.393 -5.368 1.00 54.22 H new ATOM 0 HB2 HIS A 6 12.303 8.555 -5.985 1.00 74.42 H new ATOM 0 HB3 HIS A 6 11.729 10.169 -6.354 1.00 74.42 H new ATOM 0 HD2 HIS A 6 11.586 11.893 -4.189 1.00 20.03 H new ATOM 0 HE1 HIS A 6 12.657 9.070 -1.208 1.00 3.40 H new ATOM 0 HE2 HIS A 6 12.218 11.533 -1.686 1.00 23.31 H new ATOM 96 N HIS A 7 10.720 8.291 -8.220 1.00 63.12 N ATOM 97 CA HIS A 7 10.504 8.261 -9.662 1.00 42.24 C ATOM 98 C HIS A 7 9.332 7.351 -10.018 1.00 2.34 C ATOM 99 O HIS A 7 9.046 6.385 -9.310 1.00 4.03 O ATOM 100 CB HIS A 7 11.769 7.787 -10.379 1.00 73.21 C ATOM 101 CG HIS A 7 11.829 6.302 -10.568 1.00 11.21 C ATOM 102 ND1 HIS A 7 11.635 5.690 -11.788 1.00 53.32 N ATOM 103 CD2 HIS A 7 12.065 5.306 -9.683 1.00 2.15 C ATOM 104 CE1 HIS A 7 11.747 4.382 -11.645 1.00 21.20 C ATOM 105 NE2 HIS A 7 12.009 4.123 -10.377 1.00 32.54 N ATOM 0 H HIS A 7 11.611 7.897 -7.919 1.00 63.12 H new ATOM 0 HA HIS A 7 10.267 9.273 -9.990 1.00 42.24 H new ATOM 0 HB2 HIS A 7 11.828 8.272 -11.353 1.00 73.21 H new ATOM 0 HB3 HIS A 7 12.641 8.108 -9.810 1.00 73.21 H new ATOM 0 HD2 HIS A 7 12.261 5.420 -8.627 1.00 2.15 H new ATOM 0 HE1 HIS A 7 11.642 3.649 -12.431 1.00 21.20 H new ATOM 0 HE2 HIS A 7 12.147 3.195 -9.978 1.00 32.54 H new ATOM 113 N HIS A 8 8.656 7.667 -11.118 1.00 3.02 N ATOM 114 CA HIS A 8 7.515 6.878 -11.567 1.00 32.33 C ATOM 115 C HIS A 8 7.673 6.477 -13.030 1.00 65.52 C ATOM 116 O HIS A 8 7.521 7.302 -13.930 1.00 72.10 O ATOM 117 CB HIS A 8 6.218 7.666 -11.380 1.00 31.45 C ATOM 118 CG HIS A 8 6.419 9.149 -11.342 1.00 14.33 C ATOM 119 ND1 HIS A 8 6.536 9.863 -10.168 1.00 3.21 N ATOM 120 CD2 HIS A 8 6.524 10.054 -12.343 1.00 1.22 C ATOM 121 CE1 HIS A 8 6.704 11.143 -10.448 1.00 53.25 C ATOM 122 NE2 HIS A 8 6.700 11.286 -11.762 1.00 25.24 N ATOM 0 H HIS A 8 8.879 8.464 -11.715 1.00 3.02 H new ATOM 0 HA HIS A 8 7.472 5.972 -10.963 1.00 32.33 H new ATOM 0 HB2 HIS A 8 5.533 7.421 -12.192 1.00 31.45 H new ATOM 0 HB3 HIS A 8 5.740 7.348 -10.453 1.00 31.45 H new ATOM 0 HD2 HIS A 8 6.478 9.846 -13.402 1.00 1.22 H new ATOM 0 HE1 HIS A 8 6.824 11.937 -9.726 1.00 53.25 H new ATOM 0 HE2 HIS A 8 6.810 12.168 -12.263 1.00 25.24 H new ATOM 130 N ALA A 9 7.981 5.204 -13.260 1.00 5.31 N ATOM 131 CA ALA A 9 8.160 4.694 -14.614 1.00 33.15 C ATOM 132 C ALA A 9 8.252 3.172 -14.619 1.00 20.24 C ATOM 133 O ALA A 9 7.594 2.503 -15.415 1.00 52.52 O ATOM 134 CB ALA A 9 9.402 5.302 -15.248 1.00 11.04 C ATOM 0 H ALA A 9 8.112 4.508 -12.526 1.00 5.31 H new ATOM 0 HA ALA A 9 7.288 4.981 -15.202 1.00 33.15 H new ATOM 0 HB1 ALA A 9 9.523 4.912 -16.259 1.00 11.04 H new ATOM 0 HB2 ALA A 9 9.297 6.386 -15.288 1.00 11.04 H new ATOM 0 HB3 ALA A 9 10.278 5.044 -14.653 1.00 11.04 H new ATOM 140 N MET A 10 9.073 2.630 -13.725 1.00 4.50 N ATOM 141 CA MET A 10 9.251 1.186 -13.627 1.00 50.31 C ATOM 142 C MET A 10 8.106 0.549 -12.847 1.00 14.45 C ATOM 143 O MET A 10 7.566 -0.482 -13.247 1.00 62.12 O ATOM 144 CB MET A 10 10.586 0.859 -12.955 1.00 13.55 C ATOM 145 CG MET A 10 11.797 1.292 -13.765 1.00 54.02 C ATOM 146 SD MET A 10 12.071 0.252 -15.213 1.00 11.35 S ATOM 147 CE MET A 10 12.192 1.491 -16.501 1.00 24.31 C ATOM 0 H MET A 10 9.625 3.169 -13.058 1.00 4.50 H new ATOM 0 HA MET A 10 9.251 0.776 -14.637 1.00 50.31 H new ATOM 0 HB2 MET A 10 10.620 1.343 -11.979 1.00 13.55 H new ATOM 0 HB3 MET A 10 10.642 -0.215 -12.780 1.00 13.55 H new ATOM 0 HG2 MET A 10 11.665 2.326 -14.084 1.00 54.02 H new ATOM 0 HG3 MET A 10 12.683 1.265 -13.130 1.00 54.02 H new ATOM 0 HE1 MET A 10 12.362 1.003 -17.461 1.00 24.31 H new ATOM 0 HE2 MET A 10 11.265 2.063 -16.544 1.00 24.31 H new ATOM 0 HE3 MET A 10 13.023 2.162 -16.283 1.00 24.31 H new ATOM 157 N VAL A 11 7.739 1.170 -11.730 1.00 11.42 N ATOM 158 CA VAL A 11 6.657 0.664 -10.894 1.00 1.44 C ATOM 159 C VAL A 11 5.316 1.256 -11.313 1.00 32.42 C ATOM 160 O VAL A 11 4.259 0.717 -10.983 1.00 54.03 O ATOM 161 CB VAL A 11 6.903 0.980 -9.406 1.00 54.42 C ATOM 162 CG1 VAL A 11 8.087 0.185 -8.880 1.00 22.44 C ATOM 163 CG2 VAL A 11 7.122 2.473 -9.208 1.00 72.41 C ATOM 0 H VAL A 11 8.175 2.024 -11.383 1.00 11.42 H new ATOM 0 HA VAL A 11 6.631 -0.417 -11.029 1.00 1.44 H new ATOM 0 HB VAL A 11 6.019 0.687 -8.839 1.00 54.42 H new ATOM 0 HG11 VAL A 11 8.245 0.421 -7.828 1.00 22.44 H new ATOM 0 HG12 VAL A 11 7.886 -0.881 -8.986 1.00 22.44 H new ATOM 0 HG13 VAL A 11 8.980 0.444 -9.448 1.00 22.44 H new ATOM 0 HG21 VAL A 11 7.294 2.679 -8.151 1.00 72.41 H new ATOM 0 HG22 VAL A 11 7.989 2.793 -9.786 1.00 72.41 H new ATOM 0 HG23 VAL A 11 6.240 3.018 -9.545 1.00 72.41 H new ATOM 173 N ILE A 12 5.367 2.366 -12.041 1.00 74.42 N ATOM 174 CA ILE A 12 4.155 3.029 -12.507 1.00 43.12 C ATOM 175 C ILE A 12 3.637 2.389 -13.791 1.00 11.15 C ATOM 176 O ILE A 12 2.437 2.408 -14.065 1.00 31.32 O ATOM 177 CB ILE A 12 4.396 4.530 -12.756 1.00 35.11 C ATOM 178 CG1 ILE A 12 3.100 5.317 -12.550 1.00 12.12 C ATOM 179 CG2 ILE A 12 4.940 4.754 -14.159 1.00 22.33 C ATOM 180 CD1 ILE A 12 3.079 6.122 -11.269 1.00 71.30 C ATOM 0 H ILE A 12 6.234 2.825 -12.321 1.00 74.42 H new ATOM 0 HA ILE A 12 3.409 2.914 -11.720 1.00 43.12 H new ATOM 0 HB ILE A 12 5.135 4.888 -12.040 1.00 35.11 H new ATOM 0 HG12 ILE A 12 2.955 5.990 -13.395 1.00 12.12 H new ATOM 0 HG13 ILE A 12 2.259 4.623 -12.547 1.00 12.12 H new ATOM 0 HG21 ILE A 12 5.105 5.819 -14.319 1.00 22.33 H new ATOM 0 HG22 ILE A 12 5.883 4.220 -14.273 1.00 22.33 H new ATOM 0 HG23 ILE A 12 4.222 4.384 -14.891 1.00 22.33 H new ATOM 0 HD11 ILE A 12 2.131 6.654 -11.189 1.00 71.30 H new ATOM 0 HD12 ILE A 12 3.192 5.452 -10.417 1.00 71.30 H new ATOM 0 HD13 ILE A 12 3.899 6.841 -11.277 1.00 71.30 H new ATOM 192 N ASP A 13 4.549 1.822 -14.572 1.00 50.14 N ATOM 193 CA ASP A 13 4.184 1.173 -15.826 1.00 61.12 C ATOM 194 C ASP A 13 3.501 -0.166 -15.566 1.00 54.11 C ATOM 195 O ASP A 13 2.738 -0.658 -16.399 1.00 13.55 O ATOM 196 CB ASP A 13 5.424 0.966 -16.698 1.00 31.23 C ATOM 197 CG ASP A 13 5.209 -0.084 -17.770 1.00 53.34 C ATOM 198 OD1 ASP A 13 4.358 0.140 -18.656 1.00 73.13 O ATOM 199 OD2 ASP A 13 5.891 -1.129 -17.724 1.00 32.04 O ATOM 0 H ASP A 13 5.546 1.798 -14.359 1.00 50.14 H new ATOM 0 HA ASP A 13 3.484 1.822 -16.352 1.00 61.12 H new ATOM 0 HB2 ASP A 13 5.696 1.911 -17.168 1.00 31.23 H new ATOM 0 HB3 ASP A 13 6.263 0.671 -16.068 1.00 31.23 H new ATOM 204 N HIS A 14 3.780 -0.752 -14.406 1.00 11.30 N ATOM 205 CA HIS A 14 3.192 -2.034 -14.036 1.00 62.53 C ATOM 206 C HIS A 14 1.742 -1.861 -13.595 1.00 2.34 C ATOM 207 O HIS A 14 0.836 -2.486 -14.146 1.00 63.32 O ATOM 208 CB HIS A 14 4.004 -2.687 -12.917 1.00 33.40 C ATOM 209 CG HIS A 14 3.764 -4.160 -12.784 1.00 44.13 C ATOM 210 ND1 HIS A 14 4.720 -5.039 -12.320 1.00 11.12 N ATOM 211 CD2 HIS A 14 2.669 -4.907 -13.057 1.00 11.14 C ATOM 212 CE1 HIS A 14 4.223 -6.263 -12.314 1.00 22.01 C ATOM 213 NE2 HIS A 14 2.980 -6.210 -12.756 1.00 73.31 N ATOM 0 H HIS A 14 4.410 -0.359 -13.706 1.00 11.30 H new ATOM 0 HA HIS A 14 3.211 -2.681 -14.913 1.00 62.53 H new ATOM 0 HB2 HIS A 14 5.065 -2.515 -13.101 1.00 33.40 H new ATOM 0 HB3 HIS A 14 3.762 -2.201 -11.972 1.00 33.40 H new ATOM 0 HD2 HIS A 14 1.726 -4.546 -13.440 1.00 11.14 H new ATOM 0 HE1 HIS A 14 4.745 -7.155 -12.001 1.00 22.01 H new ATOM 0 HE2 HIS A 14 2.353 -7.008 -12.857 1.00 73.31 H new ATOM 221 N ILE A 15 1.531 -1.009 -12.597 1.00 53.43 N ATOM 222 CA ILE A 15 0.191 -0.753 -12.083 1.00 21.14 C ATOM 223 C ILE A 15 -0.765 -0.368 -13.206 1.00 53.11 C ATOM 224 O ILE A 15 -1.969 -0.616 -13.124 1.00 60.22 O ATOM 225 CB ILE A 15 0.199 0.365 -11.024 1.00 14.41 C ATOM 226 CG1 ILE A 15 0.907 -0.110 -9.754 1.00 0.44 C ATOM 227 CG2 ILE A 15 -1.223 0.807 -10.710 1.00 41.44 C ATOM 228 CD1 ILE A 15 1.349 1.020 -8.850 1.00 11.02 C ATOM 0 H ILE A 15 2.270 -0.485 -12.129 1.00 53.43 H new ATOM 0 HA ILE A 15 -0.151 -1.678 -11.620 1.00 21.14 H new ATOM 0 HB ILE A 15 0.745 1.220 -11.424 1.00 14.41 H new ATOM 0 HG12 ILE A 15 0.238 -0.768 -9.199 1.00 0.44 H new ATOM 0 HG13 ILE A 15 1.778 -0.703 -10.033 1.00 0.44 H new ATOM 0 HG21 ILE A 15 -1.201 1.598 -9.960 1.00 41.44 H new ATOM 0 HG22 ILE A 15 -1.697 1.181 -11.618 1.00 41.44 H new ATOM 0 HG23 ILE A 15 -1.791 -0.041 -10.327 1.00 41.44 H new ATOM 0 HD11 ILE A 15 1.843 0.609 -7.970 1.00 11.02 H new ATOM 0 HD12 ILE A 15 2.043 1.666 -9.388 1.00 11.02 H new ATOM 0 HD13 ILE A 15 0.479 1.600 -8.541 1.00 11.02 H new ATOM 240 N LEU A 16 -0.222 0.238 -14.256 1.00 11.42 N ATOM 241 CA LEU A 16 -1.027 0.657 -15.399 1.00 23.14 C ATOM 242 C LEU A 16 -1.828 -0.514 -15.958 1.00 71.13 C ATOM 243 O LEU A 16 -3.008 -0.376 -16.280 1.00 53.52 O ATOM 244 CB LEU A 16 -0.131 1.245 -16.490 1.00 63.32 C ATOM 245 CG LEU A 16 -0.769 1.400 -17.871 1.00 70.10 C ATOM 246 CD1 LEU A 16 -0.540 2.803 -18.410 1.00 15.50 C ATOM 247 CD2 LEU A 16 -0.216 0.360 -18.834 1.00 44.04 C ATOM 0 H LEU A 16 0.772 0.450 -14.340 1.00 11.42 H new ATOM 0 HA LEU A 16 -1.726 1.422 -15.060 1.00 23.14 H new ATOM 0 HB2 LEU A 16 0.215 2.224 -16.160 1.00 63.32 H new ATOM 0 HB3 LEU A 16 0.751 0.612 -16.588 1.00 63.32 H new ATOM 0 HG LEU A 16 -1.843 1.241 -17.774 1.00 70.10 H new ATOM 0 HD11 LEU A 16 -1.001 2.895 -19.393 1.00 15.50 H new ATOM 0 HD12 LEU A 16 -0.985 3.531 -17.731 1.00 15.50 H new ATOM 0 HD13 LEU A 16 0.531 2.991 -18.492 1.00 15.50 H new ATOM 0 HD21 LEU A 16 -0.681 0.486 -19.812 1.00 44.04 H new ATOM 0 HD22 LEU A 16 0.863 0.487 -18.927 1.00 44.04 H new ATOM 0 HD23 LEU A 16 -0.432 -0.639 -18.455 1.00 44.04 H new ATOM 259 N LYS A 17 -1.180 -1.668 -16.070 1.00 24.40 N ATOM 260 CA LYS A 17 -1.831 -2.866 -16.587 1.00 54.32 C ATOM 261 C LYS A 17 -2.929 -3.340 -15.640 1.00 51.11 C ATOM 262 O LYS A 17 -3.814 -4.101 -16.032 1.00 72.34 O ATOM 263 CB LYS A 17 -0.805 -3.981 -16.794 1.00 65.40 C ATOM 264 CG LYS A 17 -0.625 -4.381 -18.248 1.00 41.24 C ATOM 265 CD LYS A 17 0.118 -3.312 -19.033 1.00 13.14 C ATOM 266 CE LYS A 17 0.889 -3.911 -20.198 1.00 42.05 C ATOM 267 NZ LYS A 17 -0.020 -4.410 -21.267 1.00 41.02 N ATOM 0 H LYS A 17 -0.203 -1.799 -15.809 1.00 24.40 H new ATOM 0 HA LYS A 17 -2.285 -2.617 -17.546 1.00 54.32 H new ATOM 0 HB2 LYS A 17 0.156 -3.658 -16.393 1.00 65.40 H new ATOM 0 HB3 LYS A 17 -1.111 -4.856 -16.221 1.00 65.40 H new ATOM 0 HG2 LYS A 17 -0.076 -5.321 -18.302 1.00 41.24 H new ATOM 0 HG3 LYS A 17 -1.601 -4.555 -18.702 1.00 41.24 H new ATOM 0 HD2 LYS A 17 -0.592 -2.574 -19.406 1.00 13.14 H new ATOM 0 HD3 LYS A 17 0.807 -2.786 -18.372 1.00 13.14 H new ATOM 0 HE2 LYS A 17 1.560 -3.160 -20.614 1.00 42.05 H new ATOM 0 HE3 LYS A 17 1.511 -4.731 -19.839 1.00 42.05 H new ATOM 0 HZ1 LYS A 17 0.544 -4.811 -22.043 1.00 41.02 H new ATOM 0 HZ2 LYS A 17 -0.644 -5.145 -20.877 1.00 41.02 H new ATOM 0 HZ3 LYS A 17 -0.596 -3.623 -21.628 1.00 41.02 H new ATOM 281 N CYS A 18 -2.866 -2.885 -14.394 1.00 11.51 N ATOM 282 CA CYS A 18 -3.856 -3.262 -13.391 1.00 23.10 C ATOM 283 C CYS A 18 -5.158 -2.496 -13.597 1.00 11.53 C ATOM 284 O CYS A 18 -6.247 -3.053 -13.461 1.00 32.21 O ATOM 285 CB CYS A 18 -3.313 -3.001 -11.985 1.00 63.32 C ATOM 286 SG CYS A 18 -3.850 -4.208 -10.751 1.00 23.33 S ATOM 0 H CYS A 18 -2.140 -2.255 -14.054 1.00 11.51 H new ATOM 0 HA CYS A 18 -4.061 -4.327 -13.501 1.00 23.10 H new ATOM 0 HB2 CYS A 18 -2.224 -2.996 -12.023 1.00 63.32 H new ATOM 0 HB3 CYS A 18 -3.625 -2.007 -11.665 1.00 63.32 H new ATOM 0 HG CYS A 18 -3.338 -3.904 -9.595 1.00 23.33 H new ATOM 292 N VAL A 19 -5.038 -1.213 -13.924 1.00 14.45 N ATOM 293 CA VAL A 19 -6.206 -0.369 -14.147 1.00 41.53 C ATOM 294 C VAL A 19 -6.665 -0.439 -15.600 1.00 5.35 C ATOM 295 O VAL A 19 -7.843 -0.249 -15.899 1.00 75.04 O ATOM 296 CB VAL A 19 -5.916 1.099 -13.782 1.00 45.45 C ATOM 297 CG1 VAL A 19 -5.852 1.959 -15.036 1.00 34.11 C ATOM 298 CG2 VAL A 19 -6.967 1.626 -12.817 1.00 42.13 C ATOM 0 H VAL A 19 -4.144 -0.736 -14.040 1.00 14.45 H new ATOM 0 HA VAL A 19 -6.998 -0.747 -13.500 1.00 41.53 H new ATOM 0 HB VAL A 19 -4.946 1.147 -13.288 1.00 45.45 H new ATOM 0 HG11 VAL A 19 -5.646 2.993 -14.758 1.00 34.11 H new ATOM 0 HG12 VAL A 19 -5.058 1.594 -15.688 1.00 34.11 H new ATOM 0 HG13 VAL A 19 -6.806 1.907 -15.562 1.00 34.11 H new ATOM 0 HG21 VAL A 19 -6.746 2.664 -12.570 1.00 42.13 H new ATOM 0 HG22 VAL A 19 -7.951 1.565 -13.282 1.00 42.13 H new ATOM 0 HG23 VAL A 19 -6.958 1.027 -11.907 1.00 42.13 H new ATOM 308 N PHE A 20 -5.725 -0.713 -16.498 1.00 41.04 N ATOM 309 CA PHE A 20 -6.032 -0.808 -17.921 1.00 31.03 C ATOM 310 C PHE A 20 -6.624 -2.173 -18.259 1.00 55.12 C ATOM 311 O PHE A 20 -7.262 -2.344 -19.298 1.00 61.54 O ATOM 312 CB PHE A 20 -4.772 -0.566 -18.754 1.00 4.24 C ATOM 313 CG PHE A 20 -5.052 0.015 -20.110 1.00 1.30 C ATOM 314 CD1 PHE A 20 -5.551 -0.780 -21.129 1.00 41.22 C ATOM 315 CD2 PHE A 20 -4.817 1.357 -20.366 1.00 21.43 C ATOM 316 CE1 PHE A 20 -5.809 -0.248 -22.378 1.00 42.44 C ATOM 317 CE2 PHE A 20 -5.073 1.895 -21.613 1.00 34.51 C ATOM 318 CZ PHE A 20 -5.571 1.091 -22.620 1.00 40.42 C ATOM 0 H PHE A 20 -4.745 -0.873 -16.266 1.00 41.04 H new ATOM 0 HA PHE A 20 -6.769 -0.042 -18.160 1.00 31.03 H new ATOM 0 HB2 PHE A 20 -4.110 0.107 -18.209 1.00 4.24 H new ATOM 0 HB3 PHE A 20 -4.239 -1.509 -18.875 1.00 4.24 H new ATOM 0 HD1 PHE A 20 -5.740 -1.827 -20.945 1.00 41.22 H new ATOM 0 HD2 PHE A 20 -4.429 1.990 -19.581 1.00 21.43 H new ATOM 0 HE1 PHE A 20 -6.196 -0.879 -23.164 1.00 42.44 H new ATOM 0 HE2 PHE A 20 -4.884 2.942 -21.800 1.00 34.51 H new ATOM 0 HZ PHE A 20 -5.774 1.509 -23.595 1.00 40.42 H new ATOM 328 N ASP A 21 -6.409 -3.140 -17.375 1.00 24.41 N ATOM 329 CA ASP A 21 -6.921 -4.491 -17.578 1.00 41.55 C ATOM 330 C ASP A 21 -8.443 -4.514 -17.488 1.00 15.54 C ATOM 331 O ASP A 21 -9.122 -5.014 -18.384 1.00 74.25 O ATOM 332 CB ASP A 21 -6.322 -5.447 -16.547 1.00 25.34 C ATOM 333 CG ASP A 21 -7.085 -6.754 -16.457 1.00 64.20 C ATOM 334 OD1 ASP A 21 -8.084 -6.807 -15.711 1.00 33.03 O ATOM 335 OD2 ASP A 21 -6.682 -7.725 -17.133 1.00 2.55 O ATOM 0 H ASP A 21 -5.883 -3.014 -16.510 1.00 24.41 H new ATOM 0 HA ASP A 21 -6.629 -4.817 -18.576 1.00 41.55 H new ATOM 0 HB2 ASP A 21 -5.284 -5.653 -16.807 1.00 25.34 H new ATOM 0 HB3 ASP A 21 -6.316 -4.965 -15.569 1.00 25.34 H new ATOM 340 N LYS A 22 -8.974 -3.969 -16.398 1.00 33.20 N ATOM 341 CA LYS A 22 -10.417 -3.926 -16.188 1.00 64.54 C ATOM 342 C LYS A 22 -11.086 -2.999 -17.198 1.00 61.30 C ATOM 343 O LYS A 22 -12.222 -3.233 -17.611 1.00 70.32 O ATOM 344 CB LYS A 22 -10.732 -3.461 -14.765 1.00 74.02 C ATOM 345 CG LYS A 22 -11.825 -4.271 -14.089 1.00 24.15 C ATOM 346 CD LYS A 22 -11.260 -5.167 -12.998 1.00 53.24 C ATOM 347 CE LYS A 22 -10.350 -6.240 -13.575 1.00 23.13 C ATOM 348 NZ LYS A 22 -10.465 -7.524 -12.830 1.00 34.32 N ATOM 0 H LYS A 22 -8.426 -3.551 -15.646 1.00 33.20 H new ATOM 0 HA LYS A 22 -10.810 -4.933 -16.330 1.00 64.54 H new ATOM 0 HB2 LYS A 22 -9.825 -3.518 -14.164 1.00 74.02 H new ATOM 0 HB3 LYS A 22 -11.031 -2.413 -14.792 1.00 74.02 H new ATOM 0 HG2 LYS A 22 -12.567 -3.597 -13.660 1.00 24.15 H new ATOM 0 HG3 LYS A 22 -12.340 -4.880 -14.832 1.00 24.15 H new ATOM 0 HD2 LYS A 22 -10.703 -4.563 -12.281 1.00 53.24 H new ATOM 0 HD3 LYS A 22 -12.078 -5.637 -12.452 1.00 53.24 H new ATOM 0 HE2 LYS A 22 -10.601 -6.404 -14.623 1.00 23.13 H new ATOM 0 HE3 LYS A 22 -9.317 -5.894 -13.545 1.00 23.13 H new ATOM 0 HZ1 LYS A 22 -9.829 -8.229 -13.254 1.00 34.32 H new ATOM 0 HZ2 LYS A 22 -10.201 -7.373 -11.835 1.00 34.32 H new ATOM 0 HZ3 LYS A 22 -11.445 -7.867 -12.879 1.00 34.32 H new ATOM 362 N ILE A 23 -10.374 -1.949 -17.592 1.00 13.43 N ATOM 363 CA ILE A 23 -10.899 -0.989 -18.555 1.00 13.31 C ATOM 364 C ILE A 23 -11.355 -1.685 -19.832 1.00 75.24 C ATOM 365 O ILE A 23 -12.322 -1.265 -20.469 1.00 74.12 O ATOM 366 CB ILE A 23 -9.850 0.080 -18.913 1.00 52.51 C ATOM 367 CG1 ILE A 23 -9.793 1.155 -17.825 1.00 53.03 C ATOM 368 CG2 ILE A 23 -10.169 0.703 -20.264 1.00 45.12 C ATOM 369 CD1 ILE A 23 -8.620 2.098 -17.969 1.00 3.52 C ATOM 0 H ILE A 23 -9.432 -1.741 -17.259 1.00 13.43 H new ATOM 0 HA ILE A 23 -11.754 -0.504 -18.083 1.00 13.31 H new ATOM 0 HB ILE A 23 -8.873 -0.398 -18.976 1.00 52.51 H new ATOM 0 HG12 ILE A 23 -10.718 1.732 -17.847 1.00 53.03 H new ATOM 0 HG13 ILE A 23 -9.742 0.671 -16.850 1.00 53.03 H new ATOM 0 HG21 ILE A 23 -9.419 1.457 -20.503 1.00 45.12 H new ATOM 0 HG22 ILE A 23 -10.164 -0.071 -21.032 1.00 45.12 H new ATOM 0 HG23 ILE A 23 -11.153 1.170 -20.226 1.00 45.12 H new ATOM 0 HD11 ILE A 23 -8.643 2.833 -17.164 1.00 3.52 H new ATOM 0 HD12 ILE A 23 -7.690 1.532 -17.917 1.00 3.52 H new ATOM 0 HD13 ILE A 23 -8.680 2.610 -18.930 1.00 3.52 H new ATOM 381 N CYS A 24 -10.655 -2.752 -20.200 1.00 61.13 N ATOM 382 CA CYS A 24 -10.988 -3.509 -21.402 1.00 15.31 C ATOM 383 C CYS A 24 -12.138 -4.475 -21.135 1.00 12.44 C ATOM 384 O CYS A 24 -12.824 -4.912 -22.059 1.00 10.12 O ATOM 385 CB CYS A 24 -9.765 -4.279 -21.901 1.00 1.31 C ATOM 386 SG CYS A 24 -9.245 -3.834 -23.575 1.00 32.33 S ATOM 0 H CYS A 24 -9.853 -3.113 -19.683 1.00 61.13 H new ATOM 0 HA CYS A 24 -11.301 -2.803 -22.171 1.00 15.31 H new ATOM 0 HB2 CYS A 24 -8.935 -4.105 -21.216 1.00 1.31 H new ATOM 0 HB3 CYS A 24 -9.984 -5.346 -21.872 1.00 1.31 H new ATOM 0 HG CYS A 24 -8.203 -4.536 -23.907 1.00 32.33 H new ATOM 392 N LYS A 25 -12.343 -4.805 -19.864 1.00 63.31 N ATOM 393 CA LYS A 25 -13.409 -5.720 -19.473 1.00 63.22 C ATOM 394 C LYS A 25 -14.729 -4.976 -19.304 1.00 34.11 C ATOM 395 O LYS A 25 -15.715 -5.282 -19.975 1.00 72.14 O ATOM 396 CB LYS A 25 -13.043 -6.435 -18.170 1.00 52.03 C ATOM 397 CG LYS A 25 -13.523 -7.875 -18.111 1.00 50.22 C ATOM 398 CD LYS A 25 -12.819 -8.740 -19.143 1.00 53.02 C ATOM 399 CE LYS A 25 -13.781 -9.720 -19.797 1.00 65.55 C ATOM 400 NZ LYS A 25 -14.487 -9.113 -20.959 1.00 72.11 N ATOM 0 H LYS A 25 -11.784 -4.452 -19.087 1.00 63.31 H new ATOM 0 HA LYS A 25 -13.528 -6.460 -20.265 1.00 63.22 H new ATOM 0 HB2 LYS A 25 -11.960 -6.416 -18.047 1.00 52.03 H new ATOM 0 HB3 LYS A 25 -13.469 -5.884 -17.331 1.00 52.03 H new ATOM 0 HG2 LYS A 25 -13.345 -8.278 -17.114 1.00 50.22 H new ATOM 0 HG3 LYS A 25 -14.599 -7.908 -18.280 1.00 50.22 H new ATOM 0 HD2 LYS A 25 -12.370 -8.105 -19.906 1.00 53.02 H new ATOM 0 HD3 LYS A 25 -12.007 -9.289 -18.666 1.00 53.02 H new ATOM 0 HE2 LYS A 25 -13.232 -10.602 -20.126 1.00 65.55 H new ATOM 0 HE3 LYS A 25 -14.513 -10.055 -19.062 1.00 65.55 H new ATOM 0 HZ1 LYS A 25 -15.133 -9.813 -21.377 1.00 72.11 H new ATOM 0 HZ2 LYS A 25 -15.031 -8.286 -20.641 1.00 72.11 H new ATOM 0 HZ3 LYS A 25 -13.790 -8.816 -21.672 1.00 72.11 H new ATOM 414 N ILE A 26 -14.741 -3.998 -18.405 1.00 32.04 N ATOM 415 CA ILE A 26 -15.940 -3.209 -18.150 1.00 72.23 C ATOM 416 C ILE A 26 -16.512 -2.645 -19.446 1.00 51.23 C ATOM 417 O ILE A 26 -17.719 -2.438 -19.567 1.00 21.44 O ATOM 418 CB ILE A 26 -15.655 -2.048 -17.180 1.00 3.12 C ATOM 419 CG1 ILE A 26 -16.958 -1.346 -16.793 1.00 1.22 C ATOM 420 CG2 ILE A 26 -14.681 -1.061 -17.806 1.00 61.23 C ATOM 421 CD1 ILE A 26 -17.911 -2.227 -16.016 1.00 11.43 C ATOM 0 H ILE A 26 -13.934 -3.733 -17.841 1.00 32.04 H new ATOM 0 HA ILE A 26 -16.668 -3.880 -17.695 1.00 72.23 H new ATOM 0 HB ILE A 26 -15.200 -2.453 -16.276 1.00 3.12 H new ATOM 0 HG12 ILE A 26 -16.723 -0.464 -16.197 1.00 1.22 H new ATOM 0 HG13 ILE A 26 -17.455 -0.996 -17.698 1.00 1.22 H new ATOM 0 HG21 ILE A 26 -14.490 -0.246 -17.108 1.00 61.23 H new ATOM 0 HG22 ILE A 26 -13.745 -1.570 -18.035 1.00 61.23 H new ATOM 0 HG23 ILE A 26 -15.110 -0.659 -18.724 1.00 61.23 H new ATOM 0 HD11 ILE A 26 -18.813 -1.664 -15.775 1.00 11.43 H new ATOM 0 HD12 ILE A 26 -18.176 -3.096 -16.618 1.00 11.43 H new ATOM 0 HD13 ILE A 26 -17.432 -2.556 -15.094 1.00 11.43 H new ATOM 433 N GLY A 27 -15.636 -2.399 -20.416 1.00 0.42 N ATOM 434 CA GLY A 27 -16.073 -1.862 -21.692 1.00 4.15 C ATOM 435 C GLY A 27 -16.966 -2.823 -22.450 1.00 34.24 C ATOM 436 O GLY A 27 -17.916 -2.408 -23.115 1.00 45.43 O ATOM 0 H GLY A 27 -14.632 -2.562 -20.341 1.00 0.42 H new ATOM 0 HA2 GLY A 27 -16.609 -0.928 -21.525 1.00 4.15 H new ATOM 0 HA3 GLY A 27 -15.201 -1.625 -22.301 1.00 4.15 H new ATOM 440 N THR A 28 -16.663 -4.114 -22.351 1.00 50.21 N ATOM 441 CA THR A 28 -17.444 -5.137 -23.035 1.00 41.10 C ATOM 442 C THR A 28 -18.556 -5.670 -22.139 1.00 63.51 C ATOM 443 O THR A 28 -19.538 -6.232 -22.622 1.00 60.52 O ATOM 444 CB THR A 28 -16.557 -6.312 -23.488 1.00 5.22 C ATOM 445 OG1 THR A 28 -15.338 -6.324 -22.735 1.00 74.12 O ATOM 446 CG2 THR A 28 -16.240 -6.210 -24.972 1.00 74.43 C ATOM 0 H THR A 28 -15.882 -4.476 -21.803 1.00 50.21 H new ATOM 0 HA THR A 28 -17.884 -4.664 -23.913 1.00 41.10 H new ATOM 0 HB THR A 28 -17.102 -7.239 -23.312 1.00 5.22 H new ATOM 0 HG1 THR A 28 -14.780 -7.075 -23.028 1.00 74.12 H new ATOM 0 HG21 THR A 28 -15.613 -7.050 -25.269 1.00 74.43 H new ATOM 0 HG22 THR A 28 -17.167 -6.230 -25.544 1.00 74.43 H new ATOM 0 HG23 THR A 28 -15.712 -5.277 -25.168 1.00 74.43 H new ATOM 454 N GLU A 29 -18.394 -5.490 -20.832 1.00 12.01 N ATOM 455 CA GLU A 29 -19.386 -5.954 -19.869 1.00 60.31 C ATOM 456 C GLU A 29 -20.667 -5.131 -19.968 1.00 32.22 C ATOM 457 O GLU A 29 -21.759 -5.627 -19.689 1.00 40.22 O ATOM 458 CB GLU A 29 -18.825 -5.876 -18.448 1.00 21.43 C ATOM 459 CG GLU A 29 -17.777 -6.935 -18.148 1.00 33.41 C ATOM 460 CD GLU A 29 -18.047 -7.672 -16.850 1.00 51.11 C ATOM 461 OE1 GLU A 29 -17.801 -7.087 -15.774 1.00 40.35 O ATOM 462 OE2 GLU A 29 -18.504 -8.832 -16.910 1.00 23.52 O ATOM 0 H GLU A 29 -17.586 -5.027 -20.416 1.00 12.01 H new ATOM 0 HA GLU A 29 -19.623 -6.992 -20.102 1.00 60.31 H new ATOM 0 HB2 GLU A 29 -18.387 -4.890 -18.293 1.00 21.43 H new ATOM 0 HB3 GLU A 29 -19.645 -5.977 -17.737 1.00 21.43 H new ATOM 0 HG2 GLU A 29 -17.745 -7.652 -18.969 1.00 33.41 H new ATOM 0 HG3 GLU A 29 -16.795 -6.465 -18.097 1.00 33.41 H new ATOM 469 N SER A 30 -20.525 -3.871 -20.366 1.00 23.03 N ATOM 470 CA SER A 30 -21.669 -2.977 -20.497 1.00 52.01 C ATOM 471 C SER A 30 -22.381 -3.197 -21.829 1.00 24.44 C ATOM 472 O SER A 30 -23.532 -2.799 -22.004 1.00 11.30 O ATOM 473 CB SER A 30 -21.220 -1.519 -20.381 1.00 72.01 C ATOM 474 OG SER A 30 -20.310 -1.182 -21.413 1.00 63.14 O ATOM 0 H SER A 30 -19.629 -3.446 -20.603 1.00 23.03 H new ATOM 0 HA SER A 30 -22.367 -3.200 -19.690 1.00 52.01 H new ATOM 0 HB2 SER A 30 -22.089 -0.863 -20.429 1.00 72.01 H new ATOM 0 HB3 SER A 30 -20.751 -1.356 -19.411 1.00 72.01 H new ATOM 0 HG SER A 30 -20.039 -0.245 -21.317 1.00 63.14 H new ATOM 480 N VAL A 31 -21.686 -3.836 -22.765 1.00 42.51 N ATOM 481 CA VAL A 31 -22.250 -4.111 -24.081 1.00 41.11 C ATOM 482 C VAL A 31 -23.428 -5.074 -23.984 1.00 3.13 C ATOM 483 O VAL A 31 -24.261 -5.144 -24.887 1.00 4.23 O ATOM 484 CB VAL A 31 -21.193 -4.704 -25.032 1.00 31.12 C ATOM 485 CG1 VAL A 31 -21.796 -4.966 -26.404 1.00 22.25 C ATOM 486 CG2 VAL A 31 -19.991 -3.777 -25.137 1.00 33.44 C ATOM 0 H VAL A 31 -20.732 -4.173 -22.636 1.00 42.51 H new ATOM 0 HA VAL A 31 -22.596 -3.158 -24.483 1.00 41.11 H new ATOM 0 HB VAL A 31 -20.854 -5.656 -24.623 1.00 31.12 H new ATOM 0 HG11 VAL A 31 -21.035 -5.385 -27.062 1.00 22.25 H new ATOM 0 HG12 VAL A 31 -22.622 -5.671 -26.310 1.00 22.25 H new ATOM 0 HG13 VAL A 31 -22.164 -4.030 -26.824 1.00 22.25 H new ATOM 0 HG21 VAL A 31 -19.254 -4.212 -25.813 1.00 33.44 H new ATOM 0 HG22 VAL A 31 -20.311 -2.809 -25.523 1.00 33.44 H new ATOM 0 HG23 VAL A 31 -19.546 -3.646 -24.151 1.00 33.44 H new ATOM 496 N GLU A 32 -23.490 -5.814 -22.881 1.00 71.33 N ATOM 497 CA GLU A 32 -24.567 -6.774 -22.667 1.00 23.15 C ATOM 498 C GLU A 32 -25.781 -6.098 -22.036 1.00 42.33 C ATOM 499 O GLU A 32 -26.873 -6.107 -22.603 1.00 11.51 O ATOM 500 CB GLU A 32 -24.087 -7.921 -21.774 1.00 12.42 C ATOM 501 CG GLU A 32 -23.415 -9.048 -22.539 1.00 42.34 C ATOM 502 CD GLU A 32 -21.913 -8.867 -22.644 1.00 22.33 C ATOM 503 OE1 GLU A 32 -21.310 -8.342 -21.685 1.00 2.11 O ATOM 504 OE2 GLU A 32 -21.341 -9.252 -23.685 1.00 63.21 O ATOM 0 H GLU A 32 -22.809 -5.767 -22.123 1.00 71.33 H new ATOM 0 HA GLU A 32 -24.860 -7.176 -23.637 1.00 23.15 H new ATOM 0 HB2 GLU A 32 -23.388 -7.527 -21.036 1.00 12.42 H new ATOM 0 HB3 GLU A 32 -24.938 -8.323 -21.225 1.00 12.42 H new ATOM 0 HG2 GLU A 32 -23.629 -9.996 -22.045 1.00 42.34 H new ATOM 0 HG3 GLU A 32 -23.841 -9.107 -23.541 1.00 42.34 H new ATOM 511 N ALA A 33 -25.581 -5.513 -20.860 1.00 5.21 N ATOM 512 CA ALA A 33 -26.657 -4.831 -20.153 1.00 13.51 C ATOM 513 C ALA A 33 -27.267 -3.728 -21.013 1.00 24.34 C ATOM 514 O ALA A 33 -28.411 -3.328 -20.806 1.00 13.31 O ATOM 515 CB ALA A 33 -26.146 -4.257 -18.840 1.00 1.42 C ATOM 0 H ALA A 33 -24.683 -5.498 -20.377 1.00 5.21 H new ATOM 0 HA ALA A 33 -27.437 -5.562 -19.938 1.00 13.51 H new ATOM 0 HB1 ALA A 33 -26.961 -3.750 -18.323 1.00 1.42 H new ATOM 0 HB2 ALA A 33 -25.765 -5.064 -18.214 1.00 1.42 H new ATOM 0 HB3 ALA A 33 -25.346 -3.545 -19.041 1.00 1.42 H new ATOM 521 N GLY A 34 -26.493 -3.241 -21.978 1.00 41.00 N ATOM 522 CA GLY A 34 -26.974 -2.189 -22.854 1.00 1.51 C ATOM 523 C GLY A 34 -27.973 -2.695 -23.875 1.00 62.51 C ATOM 524 O GLY A 34 -28.962 -2.025 -24.171 1.00 33.50 O ATOM 0 H GLY A 34 -25.542 -3.556 -22.169 1.00 41.00 H new ATOM 0 HA2 GLY A 34 -27.437 -1.405 -22.255 1.00 1.51 H new ATOM 0 HA3 GLY A 34 -26.128 -1.737 -23.372 1.00 1.51 H new ATOM 528 N ARG A 35 -27.713 -3.881 -24.416 1.00 71.15 N ATOM 529 CA ARG A 35 -28.596 -4.476 -25.413 1.00 2.21 C ATOM 530 C ARG A 35 -29.688 -5.306 -24.745 1.00 54.33 C ATOM 531 O ARG A 35 -30.773 -5.487 -25.301 1.00 44.31 O ATOM 532 CB ARG A 35 -27.794 -5.351 -26.378 1.00 41.33 C ATOM 533 CG ARG A 35 -27.429 -4.649 -27.676 1.00 43.11 C ATOM 534 CD ARG A 35 -26.768 -3.304 -27.416 1.00 24.54 C ATOM 535 NE ARG A 35 -27.676 -2.190 -27.669 1.00 12.52 N ATOM 536 CZ ARG A 35 -27.267 -0.952 -27.927 1.00 33.31 C ATOM 537 NH1 ARG A 35 -25.972 -0.673 -27.966 1.00 63.42 N ATOM 538 NH2 ARG A 35 -28.155 0.009 -28.147 1.00 72.10 N ATOM 0 H ARG A 35 -26.899 -4.449 -24.181 1.00 71.15 H new ATOM 0 HA ARG A 35 -29.068 -3.668 -25.972 1.00 2.21 H new ATOM 0 HB2 ARG A 35 -26.880 -5.680 -25.883 1.00 41.33 H new ATOM 0 HB3 ARG A 35 -28.371 -6.246 -26.609 1.00 41.33 H new ATOM 0 HG2 ARG A 35 -26.756 -5.281 -28.255 1.00 43.11 H new ATOM 0 HG3 ARG A 35 -28.327 -4.504 -28.277 1.00 43.11 H new ATOM 0 HD2 ARG A 35 -26.423 -3.263 -26.383 1.00 24.54 H new ATOM 0 HD3 ARG A 35 -25.887 -3.205 -28.050 1.00 24.54 H new ATOM 0 HE ARG A 35 -28.679 -2.371 -27.647 1.00 12.52 H new ATOM 0 HH11 ARG A 35 -25.286 -1.409 -27.798 1.00 63.42 H new ATOM 0 HH12 ARG A 35 -25.661 0.278 -28.164 1.00 63.42 H new ATOM 0 HH21 ARG A 35 -29.153 -0.202 -28.118 1.00 72.10 H new ATOM 0 HH22 ARG A 35 -27.840 0.959 -28.345 1.00 72.10 H new ATOM 552 N LEU A 36 -29.396 -5.808 -23.551 1.00 24.30 N ATOM 553 CA LEU A 36 -30.353 -6.620 -22.807 1.00 4.00 C ATOM 554 C LEU A 36 -31.488 -5.760 -22.261 1.00 4.33 C ATOM 555 O LEU A 36 -32.645 -6.179 -22.246 1.00 13.02 O ATOM 556 CB LEU A 36 -29.651 -7.347 -21.659 1.00 24.22 C ATOM 557 CG LEU A 36 -29.315 -8.819 -21.902 1.00 44.12 C ATOM 558 CD1 LEU A 36 -28.153 -8.947 -22.875 1.00 70.44 C ATOM 559 CD2 LEU A 36 -28.992 -9.517 -20.589 1.00 10.41 C ATOM 0 H LEU A 36 -28.504 -5.667 -23.077 1.00 24.30 H new ATOM 0 HA LEU A 36 -30.776 -7.356 -23.490 1.00 4.00 H new ATOM 0 HB2 LEU A 36 -28.726 -6.817 -21.431 1.00 24.22 H new ATOM 0 HB3 LEU A 36 -30.283 -7.281 -20.773 1.00 24.22 H new ATOM 0 HG LEU A 36 -30.187 -9.303 -22.342 1.00 44.12 H new ATOM 0 HD11 LEU A 36 -27.928 -10.001 -23.036 1.00 70.44 H new ATOM 0 HD12 LEU A 36 -28.421 -8.484 -23.825 1.00 70.44 H new ATOM 0 HD13 LEU A 36 -27.276 -8.448 -22.462 1.00 70.44 H new ATOM 0 HD21 LEU A 36 -28.755 -10.563 -20.782 1.00 10.41 H new ATOM 0 HD22 LEU A 36 -28.136 -9.032 -20.120 1.00 10.41 H new ATOM 0 HD23 LEU A 36 -29.853 -9.456 -19.923 1.00 10.41 H new ATOM 571 N ILE A 37 -31.148 -4.555 -21.815 1.00 11.10 N ATOM 572 CA ILE A 37 -32.139 -3.635 -21.271 1.00 52.23 C ATOM 573 C ILE A 37 -32.924 -2.951 -22.386 1.00 2.33 C ATOM 574 O ILE A 37 -34.127 -2.725 -22.262 1.00 72.42 O ATOM 575 CB ILE A 37 -31.483 -2.559 -20.386 1.00 21.11 C ATOM 576 CG1 ILE A 37 -31.417 -3.034 -18.933 1.00 13.21 C ATOM 577 CG2 ILE A 37 -32.250 -1.249 -20.487 1.00 34.41 C ATOM 578 CD1 ILE A 37 -30.812 -4.411 -18.774 1.00 2.22 C ATOM 0 H ILE A 37 -30.194 -4.193 -21.820 1.00 11.10 H new ATOM 0 HA ILE A 37 -32.820 -4.229 -20.661 1.00 52.23 H new ATOM 0 HB ILE A 37 -30.466 -2.389 -20.740 1.00 21.11 H new ATOM 0 HG12 ILE A 37 -30.833 -2.320 -18.352 1.00 13.21 H new ATOM 0 HG13 ILE A 37 -32.423 -3.038 -18.514 1.00 13.21 H new ATOM 0 HG21 ILE A 37 -31.774 -0.499 -19.856 1.00 34.41 H new ATOM 0 HG22 ILE A 37 -32.249 -0.906 -21.522 1.00 34.41 H new ATOM 0 HG23 ILE A 37 -33.277 -1.402 -20.156 1.00 34.41 H new ATOM 0 HD11 ILE A 37 -30.797 -4.682 -17.718 1.00 2.22 H new ATOM 0 HD12 ILE A 37 -31.409 -5.137 -19.327 1.00 2.22 H new ATOM 0 HD13 ILE A 37 -29.793 -4.408 -19.162 1.00 2.22 H new ATOM 590 N GLU A 38 -32.233 -2.625 -23.474 1.00 15.50 N ATOM 591 CA GLU A 38 -32.867 -1.967 -24.611 1.00 2.11 C ATOM 592 C GLU A 38 -33.921 -2.870 -25.244 1.00 33.32 C ATOM 593 O GLU A 38 -35.035 -2.433 -25.536 1.00 72.22 O ATOM 594 CB GLU A 38 -31.817 -1.581 -25.655 1.00 0.10 C ATOM 595 CG GLU A 38 -32.197 -1.971 -27.073 1.00 70.24 C ATOM 596 CD GLU A 38 -31.258 -1.386 -28.111 1.00 33.32 C ATOM 597 OE1 GLU A 38 -31.219 -0.145 -28.244 1.00 33.41 O ATOM 598 OE2 GLU A 38 -30.562 -2.171 -28.789 1.00 53.53 O ATOM 0 H GLU A 38 -31.236 -2.805 -23.592 1.00 15.50 H new ATOM 0 HA GLU A 38 -33.358 -1.064 -24.248 1.00 2.11 H new ATOM 0 HB2 GLU A 38 -31.655 -0.504 -25.614 1.00 0.10 H new ATOM 0 HB3 GLU A 38 -30.870 -2.055 -25.398 1.00 0.10 H new ATOM 0 HG2 GLU A 38 -32.196 -3.058 -27.159 1.00 70.24 H new ATOM 0 HG3 GLU A 38 -33.214 -1.635 -27.278 1.00 70.24 H new ATOM 605 N LEU A 39 -33.562 -4.132 -25.453 1.00 51.12 N ATOM 606 CA LEU A 39 -34.476 -5.098 -26.052 1.00 32.41 C ATOM 607 C LEU A 39 -35.813 -5.112 -25.317 1.00 25.05 C ATOM 608 O LEU A 39 -36.875 -5.067 -25.937 1.00 65.23 O ATOM 609 CB LEU A 39 -33.856 -6.497 -26.032 1.00 51.43 C ATOM 610 CG LEU A 39 -33.199 -6.958 -27.334 1.00 10.23 C ATOM 611 CD1 LEU A 39 -32.397 -5.826 -27.957 1.00 1.00 C ATOM 612 CD2 LEU A 39 -32.311 -8.168 -27.083 1.00 73.12 C ATOM 0 H LEU A 39 -32.645 -4.510 -25.217 1.00 51.12 H new ATOM 0 HA LEU A 39 -34.653 -4.800 -27.085 1.00 32.41 H new ATOM 0 HB2 LEU A 39 -33.108 -6.530 -25.239 1.00 51.43 H new ATOM 0 HB3 LEU A 39 -34.633 -7.214 -25.767 1.00 51.43 H new ATOM 0 HG LEU A 39 -33.984 -7.247 -28.033 1.00 10.23 H new ATOM 0 HD11 LEU A 39 -31.937 -6.172 -28.882 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -33.059 -4.987 -28.173 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -31.620 -5.506 -27.263 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -31.852 -8.483 -28.020 1.00 73.12 H new ATOM 0 HD22 LEU A 39 -31.532 -7.905 -26.367 1.00 73.12 H new ATOM 0 HD23 LEU A 39 -32.912 -8.984 -26.682 1.00 73.12 H new ATOM 624 N SER A 40 -35.752 -5.172 -23.990 1.00 64.01 N ATOM 625 CA SER A 40 -36.957 -5.193 -23.170 1.00 1.13 C ATOM 626 C SER A 40 -37.858 -4.007 -23.499 1.00 15.15 C ATOM 627 O SER A 40 -39.084 -4.116 -23.459 1.00 64.12 O ATOM 628 CB SER A 40 -36.589 -5.172 -21.685 1.00 31.12 C ATOM 629 OG SER A 40 -36.770 -6.449 -21.097 1.00 1.43 O ATOM 0 H SER A 40 -34.881 -5.207 -23.461 1.00 64.01 H new ATOM 0 HA SER A 40 -37.501 -6.112 -23.389 1.00 1.13 H new ATOM 0 HB2 SER A 40 -35.552 -4.858 -21.568 1.00 31.12 H new ATOM 0 HB3 SER A 40 -37.204 -4.438 -21.165 1.00 31.12 H new ATOM 0 HG SER A 40 -36.527 -6.410 -20.149 1.00 1.43 H new ATOM 635 N GLN A 41 -37.242 -2.875 -23.823 1.00 1.15 N ATOM 636 CA GLN A 41 -37.988 -1.668 -24.158 1.00 12.14 C ATOM 637 C GLN A 41 -38.955 -1.927 -25.308 1.00 61.53 C ATOM 638 O GLN A 41 -40.063 -1.394 -25.332 1.00 52.50 O ATOM 639 CB GLN A 41 -37.029 -0.536 -24.528 1.00 5.34 C ATOM 640 CG GLN A 41 -35.896 -0.348 -23.531 1.00 62.33 C ATOM 641 CD GLN A 41 -36.391 -0.197 -22.106 1.00 62.54 C ATOM 642 OE1 GLN A 41 -36.680 0.910 -21.651 1.00 62.43 O ATOM 643 NE2 GLN A 41 -36.492 -1.313 -21.393 1.00 64.12 N ATOM 0 H GLN A 41 -36.228 -2.768 -23.861 1.00 1.15 H new ATOM 0 HA GLN A 41 -38.565 -1.374 -23.281 1.00 12.14 H new ATOM 0 HB2 GLN A 41 -36.606 -0.736 -25.512 1.00 5.34 H new ATOM 0 HB3 GLN A 41 -37.591 0.394 -24.606 1.00 5.34 H new ATOM 0 HG2 GLN A 41 -35.221 -1.202 -23.588 1.00 62.33 H new ATOM 0 HG3 GLN A 41 -35.318 0.534 -23.806 1.00 62.33 H new ATOM 0 HE21 GLN A 41 -36.242 -2.209 -21.810 1.00 64.12 H new ATOM 0 HE22 GLN A 41 -36.820 -1.274 -20.428 1.00 64.12 H new ATOM 652 N GLU A 42 -38.527 -2.750 -26.261 1.00 25.45 N ATOM 653 CA GLU A 42 -39.355 -3.079 -27.415 1.00 21.03 C ATOM 654 C GLU A 42 -38.632 -4.049 -28.345 1.00 21.13 C ATOM 655 O GLU A 42 -39.253 -4.912 -28.964 1.00 21.13 O ATOM 656 CB GLU A 42 -39.732 -1.808 -28.179 1.00 5.14 C ATOM 657 CG GLU A 42 -40.264 -2.073 -29.577 1.00 21.32 C ATOM 658 CD GLU A 42 -41.430 -1.174 -29.937 1.00 52.24 C ATOM 659 OE1 GLU A 42 -41.363 0.036 -29.635 1.00 32.35 O ATOM 660 OE2 GLU A 42 -42.410 -1.680 -30.523 1.00 72.22 O ATOM 0 H GLU A 42 -37.612 -3.201 -26.256 1.00 25.45 H new ATOM 0 HA GLU A 42 -40.264 -3.560 -27.053 1.00 21.03 H new ATOM 0 HB2 GLU A 42 -40.485 -1.262 -27.610 1.00 5.14 H new ATOM 0 HB3 GLU A 42 -38.856 -1.163 -28.249 1.00 5.14 H new ATOM 0 HG2 GLU A 42 -39.462 -1.928 -30.301 1.00 21.32 H new ATOM 0 HG3 GLU A 42 -40.577 -3.115 -29.651 1.00 21.32 H new ATOM 667 N GLY A 43 -37.314 -3.900 -28.438 1.00 1.42 N ATOM 668 CA GLY A 43 -36.528 -4.768 -29.294 1.00 45.14 C ATOM 669 C GLY A 43 -36.374 -4.214 -30.697 1.00 2.11 C ATOM 670 O GLY A 43 -35.601 -4.738 -31.498 1.00 33.51 O ATOM 0 H GLY A 43 -36.777 -3.193 -27.935 1.00 1.42 H new ATOM 0 HA2 GLY A 43 -35.542 -4.912 -28.853 1.00 45.14 H new ATOM 0 HA3 GLY A 43 -37.001 -5.749 -29.344 1.00 45.14 H new ATOM 674 N GLY A 44 -37.113 -3.150 -30.996 1.00 33.10 N ATOM 675 CA GLY A 44 -37.042 -2.544 -32.312 1.00 53.45 C ATOM 676 C GLY A 44 -36.318 -1.212 -32.299 1.00 63.32 C ATOM 677 O GLY A 44 -36.064 -0.646 -31.237 1.00 30.22 O ATOM 0 H GLY A 44 -37.760 -2.697 -30.350 1.00 33.10 H new ATOM 0 HA2 GLY A 44 -36.533 -3.224 -32.995 1.00 53.45 H new ATOM 0 HA3 GLY A 44 -38.051 -2.402 -32.698 1.00 53.45 H new ATOM 681 N GLY A 45 -35.982 -0.711 -33.484 1.00 44.00 N ATOM 682 CA GLY A 45 -35.283 0.557 -33.582 1.00 13.41 C ATOM 683 C GLY A 45 -34.540 0.710 -34.894 1.00 54.52 C ATOM 684 O GLY A 45 -34.303 -0.269 -35.599 1.00 74.34 O ATOM 0 H GLY A 45 -36.181 -1.161 -34.378 1.00 44.00 H new ATOM 0 HA2 GLY A 45 -35.999 1.372 -33.476 1.00 13.41 H new ATOM 0 HA3 GLY A 45 -34.577 0.644 -32.756 1.00 13.41 H new ATOM 688 N GLY A 46 -34.173 1.945 -35.224 1.00 41.02 N ATOM 689 CA GLY A 46 -33.458 2.201 -36.461 1.00 73.32 C ATOM 690 C GLY A 46 -32.118 1.495 -36.513 1.00 3.23 C ATOM 691 O GLY A 46 -32.050 0.294 -36.768 1.00 70.32 O ATOM 0 H GLY A 46 -34.358 2.772 -34.657 1.00 41.02 H new ATOM 0 HA2 GLY A 46 -34.069 1.877 -37.304 1.00 73.32 H new ATOM 0 HA3 GLY A 46 -33.304 3.274 -36.573 1.00 73.32 H new ATOM 695 N GLY A 47 -31.046 2.245 -36.271 1.00 33.43 N ATOM 696 CA GLY A 47 -29.715 1.667 -36.298 1.00 34.24 C ATOM 697 C GLY A 47 -29.591 0.456 -35.394 1.00 44.11 C ATOM 698 O GLY A 47 -30.525 0.114 -34.671 1.00 22.25 O ATOM 0 H GLY A 47 -31.076 3.242 -36.057 1.00 33.43 H new ATOM 0 HA2 GLY A 47 -29.467 1.381 -37.320 1.00 34.24 H new ATOM 0 HA3 GLY A 47 -28.989 2.420 -35.993 1.00 34.24 H new ATOM 702 N GLY A 48 -28.432 -0.196 -35.437 1.00 14.32 N ATOM 703 CA GLY A 48 -28.211 -1.369 -34.612 1.00 62.35 C ATOM 704 C GLY A 48 -27.386 -1.063 -33.378 1.00 61.51 C ATOM 705 O GLY A 48 -26.992 0.078 -33.135 1.00 73.53 O ATOM 0 H GLY A 48 -27.644 0.067 -36.028 1.00 14.32 H new ATOM 0 HA2 GLY A 48 -29.173 -1.783 -34.309 1.00 62.35 H new ATOM 0 HA3 GLY A 48 -27.707 -2.134 -35.202 1.00 62.35 H new ATOM 709 N PRO A 49 -27.114 -2.100 -32.572 1.00 22.23 N ATOM 710 CA PRO A 49 -26.329 -1.961 -31.342 1.00 23.45 C ATOM 711 C PRO A 49 -24.859 -1.667 -31.622 1.00 20.31 C ATOM 712 O PRO A 49 -24.098 -1.330 -30.714 1.00 15.24 O ATOM 713 CB PRO A 49 -26.482 -3.327 -30.667 1.00 64.02 C ATOM 714 CG PRO A 49 -26.766 -4.271 -31.784 1.00 24.31 C ATOM 715 CD PRO A 49 -27.551 -3.488 -32.799 1.00 50.21 C ATOM 0 HA PRO A 49 -26.674 -1.127 -30.731 1.00 23.45 H new ATOM 0 HB2 PRO A 49 -25.575 -3.608 -30.132 1.00 64.02 H new ATOM 0 HB3 PRO A 49 -27.293 -3.320 -29.938 1.00 64.02 H new ATOM 0 HG2 PRO A 49 -25.841 -4.653 -32.216 1.00 24.31 H new ATOM 0 HG3 PRO A 49 -27.333 -5.133 -31.432 1.00 24.31 H new ATOM 0 HD2 PRO A 49 -27.334 -3.816 -33.815 1.00 50.21 H new ATOM 0 HD3 PRO A 49 -28.625 -3.601 -32.650 1.00 50.21 H new ATOM 723 N LEU A 50 -24.465 -1.797 -32.884 1.00 1.11 N ATOM 724 CA LEU A 50 -23.085 -1.544 -33.284 1.00 60.52 C ATOM 725 C LEU A 50 -22.836 -0.051 -33.469 1.00 11.01 C ATOM 726 O LEU A 50 -21.750 0.449 -33.174 1.00 70.25 O ATOM 727 CB LEU A 50 -22.765 -2.291 -34.581 1.00 3.44 C ATOM 728 CG LEU A 50 -23.084 -3.786 -34.591 1.00 22.03 C ATOM 729 CD1 LEU A 50 -22.885 -4.384 -33.206 1.00 50.45 C ATOM 730 CD2 LEU A 50 -24.506 -4.025 -35.078 1.00 3.45 C ATOM 0 H LEU A 50 -25.081 -2.076 -33.648 1.00 1.11 H new ATOM 0 HA LEU A 50 -22.430 -1.906 -32.491 1.00 60.52 H new ATOM 0 HB2 LEU A 50 -23.314 -1.817 -35.395 1.00 3.44 H new ATOM 0 HB3 LEU A 50 -21.704 -2.165 -34.797 1.00 3.44 H new ATOM 0 HG LEU A 50 -22.398 -4.280 -35.279 1.00 22.03 H new ATOM 0 HD11 LEU A 50 -23.117 -5.449 -33.233 1.00 50.45 H new ATOM 0 HD12 LEU A 50 -21.849 -4.246 -32.895 1.00 50.45 H new ATOM 0 HD13 LEU A 50 -23.546 -3.886 -32.496 1.00 50.45 H new ATOM 0 HD21 LEU A 50 -24.715 -5.095 -35.079 1.00 3.45 H new ATOM 0 HD22 LEU A 50 -25.208 -3.518 -34.415 1.00 3.45 H new ATOM 0 HD23 LEU A 50 -24.615 -3.634 -36.089 1.00 3.45 H new ATOM 742 N TYR A 51 -23.849 0.656 -33.956 1.00 54.40 N ATOM 743 CA TYR A 51 -23.741 2.093 -34.180 1.00 3.11 C ATOM 744 C TYR A 51 -23.465 2.829 -32.872 1.00 72.11 C ATOM 745 O TYR A 51 -22.728 3.815 -32.844 1.00 61.51 O ATOM 746 CB TYR A 51 -25.023 2.629 -34.819 1.00 44.24 C ATOM 747 CG TYR A 51 -25.258 4.100 -34.562 1.00 51.54 C ATOM 748 CD1 TYR A 51 -24.747 5.066 -35.421 1.00 4.13 C ATOM 749 CD2 TYR A 51 -25.991 4.525 -33.461 1.00 41.10 C ATOM 750 CE1 TYR A 51 -24.959 6.412 -35.190 1.00 25.43 C ATOM 751 CE2 TYR A 51 -26.209 5.868 -33.223 1.00 10.20 C ATOM 752 CZ TYR A 51 -25.691 6.808 -34.090 1.00 23.41 C ATOM 753 OH TYR A 51 -25.905 8.147 -33.855 1.00 64.54 O ATOM 0 H TYR A 51 -24.755 0.258 -34.203 1.00 54.40 H new ATOM 0 HA TYR A 51 -22.905 2.267 -34.858 1.00 3.11 H new ATOM 0 HB2 TYR A 51 -24.981 2.459 -35.895 1.00 44.24 H new ATOM 0 HB3 TYR A 51 -25.873 2.062 -34.439 1.00 44.24 H new ATOM 0 HD1 TYR A 51 -24.174 4.759 -36.284 1.00 4.13 H new ATOM 0 HD2 TYR A 51 -26.397 3.793 -32.779 1.00 41.10 H new ATOM 0 HE1 TYR A 51 -24.554 7.150 -35.867 1.00 25.43 H new ATOM 0 HE2 TYR A 51 -26.782 6.181 -32.363 1.00 10.20 H new ATOM 0 HH TYR A 51 -25.924 8.630 -34.708 1.00 64.54 H new ATOM 763 N PHE A 52 -24.063 2.342 -31.790 1.00 0.13 N ATOM 764 CA PHE A 52 -23.883 2.952 -30.477 1.00 54.35 C ATOM 765 C PHE A 52 -22.430 2.849 -30.024 1.00 51.41 C ATOM 766 O PHE A 52 -21.814 3.846 -29.645 1.00 31.41 O ATOM 767 CB PHE A 52 -24.799 2.282 -29.450 1.00 45.34 C ATOM 768 CG PHE A 52 -24.311 2.416 -28.036 1.00 72.10 C ATOM 769 CD1 PHE A 52 -24.652 3.521 -27.273 1.00 40.23 C ATOM 770 CD2 PHE A 52 -23.512 1.436 -27.469 1.00 43.33 C ATOM 771 CE1 PHE A 52 -24.206 3.647 -25.971 1.00 45.12 C ATOM 772 CE2 PHE A 52 -23.063 1.556 -26.168 1.00 3.52 C ATOM 773 CZ PHE A 52 -23.409 2.664 -25.418 1.00 60.22 C ATOM 0 H PHE A 52 -24.676 1.527 -31.796 1.00 0.13 H new ATOM 0 HA PHE A 52 -24.146 4.007 -30.555 1.00 54.35 H new ATOM 0 HB2 PHE A 52 -25.796 2.717 -29.525 1.00 45.34 H new ATOM 0 HB3 PHE A 52 -24.894 1.224 -29.695 1.00 45.34 H new ATOM 0 HD1 PHE A 52 -25.274 4.293 -27.701 1.00 40.23 H new ATOM 0 HD2 PHE A 52 -23.237 0.569 -28.051 1.00 43.33 H new ATOM 0 HE1 PHE A 52 -24.480 4.513 -25.387 1.00 45.12 H new ATOM 0 HE2 PHE A 52 -22.442 0.784 -25.737 1.00 3.52 H new ATOM 0 HZ PHE A 52 -23.057 2.761 -24.402 1.00 60.22 H new ATOM 783 N VAL A 53 -21.888 1.636 -30.066 1.00 1.44 N ATOM 784 CA VAL A 53 -20.507 1.402 -29.660 1.00 72.21 C ATOM 785 C VAL A 53 -19.530 2.031 -30.647 1.00 12.45 C ATOM 786 O VAL A 53 -18.446 2.475 -30.266 1.00 74.44 O ATOM 787 CB VAL A 53 -20.204 -0.104 -29.545 1.00 13.04 C ATOM 788 CG1 VAL A 53 -18.716 -0.335 -29.333 1.00 2.41 C ATOM 789 CG2 VAL A 53 -21.014 -0.725 -28.417 1.00 12.04 C ATOM 0 H VAL A 53 -22.384 0.801 -30.377 1.00 1.44 H new ATOM 0 HA VAL A 53 -20.381 1.867 -28.682 1.00 72.21 H new ATOM 0 HB VAL A 53 -20.493 -0.587 -30.478 1.00 13.04 H new ATOM 0 HG11 VAL A 53 -18.521 -1.405 -29.254 1.00 2.41 H new ATOM 0 HG12 VAL A 53 -18.160 0.074 -30.177 1.00 2.41 H new ATOM 0 HG13 VAL A 53 -18.398 0.160 -28.416 1.00 2.41 H new ATOM 0 HG21 VAL A 53 -20.788 -1.789 -28.350 1.00 12.04 H new ATOM 0 HG22 VAL A 53 -20.758 -0.239 -27.475 1.00 12.04 H new ATOM 0 HG23 VAL A 53 -22.077 -0.592 -28.617 1.00 12.04 H new ATOM 799 N VAL A 54 -19.921 2.068 -31.916 1.00 52.35 N ATOM 800 CA VAL A 54 -19.081 2.646 -32.959 1.00 22.53 C ATOM 801 C VAL A 54 -19.038 4.166 -32.851 1.00 72.31 C ATOM 802 O VAL A 54 -18.002 4.786 -33.087 1.00 74.24 O ATOM 803 CB VAL A 54 -19.580 2.255 -34.363 1.00 22.04 C ATOM 804 CG1 VAL A 54 -19.067 3.237 -35.404 1.00 44.33 C ATOM 805 CG2 VAL A 54 -19.155 0.834 -34.702 1.00 50.44 C ATOM 0 H VAL A 54 -20.815 1.705 -32.248 1.00 52.35 H new ATOM 0 HA VAL A 54 -18.077 2.246 -32.814 1.00 22.53 H new ATOM 0 HB VAL A 54 -20.669 2.295 -34.367 1.00 22.04 H new ATOM 0 HG11 VAL A 54 -19.430 2.945 -36.390 1.00 44.33 H new ATOM 0 HG12 VAL A 54 -19.426 4.239 -35.167 1.00 44.33 H new ATOM 0 HG13 VAL A 54 -17.977 3.233 -35.402 1.00 44.33 H new ATOM 0 HG21 VAL A 54 -19.516 0.574 -35.697 1.00 50.44 H new ATOM 0 HG22 VAL A 54 -18.067 0.765 -34.681 1.00 50.44 H new ATOM 0 HG23 VAL A 54 -19.577 0.144 -33.971 1.00 50.44 H new ATOM 815 N ASN A 55 -20.171 4.760 -32.492 1.00 55.02 N ATOM 816 CA ASN A 55 -20.264 6.209 -32.353 1.00 60.21 C ATOM 817 C ASN A 55 -19.786 6.655 -30.975 1.00 21.44 C ATOM 818 O ASN A 55 -19.356 7.794 -30.793 1.00 33.11 O ATOM 819 CB ASN A 55 -21.704 6.673 -32.581 1.00 30.05 C ATOM 820 CG ASN A 55 -22.052 6.778 -34.053 1.00 2.21 C ATOM 821 OD1 ASN A 55 -21.831 5.697 -34.792 1.00 12.20 O flip ATOM 822 ND2 ASN A 55 -22.514 7.819 -34.520 1.00 4.14 N flip ATOM 0 H ASN A 55 -21.038 4.261 -32.292 1.00 55.02 H new ATOM 0 HA ASN A 55 -19.620 6.663 -33.106 1.00 60.21 H new ATOM 0 HB2 ASN A 55 -22.388 5.976 -32.098 1.00 30.05 H new ATOM 0 HB3 ASN A 55 -21.850 7.643 -32.106 1.00 30.05 H new ATOM 0 HD21 ASN A 55 -22.667 8.625 -33.915 1.00 4.14 H new ATOM 0 HD22 ASN A 55 -22.743 7.875 -35.512 1.00 4.14 H new ATOM 829 N VAL A 56 -19.863 5.748 -30.006 1.00 20.24 N ATOM 830 CA VAL A 56 -19.437 6.046 -28.644 1.00 4.14 C ATOM 831 C VAL A 56 -17.938 5.824 -28.476 1.00 3.10 C ATOM 832 O VAL A 56 -17.239 6.652 -27.890 1.00 33.44 O ATOM 833 CB VAL A 56 -20.191 5.180 -27.617 1.00 43.21 C ATOM 834 CG1 VAL A 56 -19.442 5.147 -26.293 1.00 40.34 C ATOM 835 CG2 VAL A 56 -21.609 5.697 -27.424 1.00 64.43 C ATOM 0 H VAL A 56 -20.217 4.801 -30.139 1.00 20.24 H new ATOM 0 HA VAL A 56 -19.669 7.096 -28.463 1.00 4.14 H new ATOM 0 HB VAL A 56 -20.249 4.161 -27.999 1.00 43.21 H new ATOM 0 HG11 VAL A 56 -19.990 4.531 -25.580 1.00 40.34 H new ATOM 0 HG12 VAL A 56 -18.448 4.727 -26.448 1.00 40.34 H new ATOM 0 HG13 VAL A 56 -19.351 6.160 -25.901 1.00 40.34 H new ATOM 0 HG21 VAL A 56 -22.127 5.074 -26.695 1.00 64.43 H new ATOM 0 HG22 VAL A 56 -21.576 6.725 -27.064 1.00 64.43 H new ATOM 0 HG23 VAL A 56 -22.141 5.663 -28.375 1.00 64.43 H new ATOM 845 N ILE A 57 -17.450 4.702 -28.995 1.00 3.51 N ATOM 846 CA ILE A 57 -16.033 4.372 -28.904 1.00 2.52 C ATOM 847 C ILE A 57 -15.210 5.208 -29.878 1.00 50.43 C ATOM 848 O ILE A 57 -14.009 5.395 -29.689 1.00 44.43 O ATOM 849 CB ILE A 57 -15.783 2.880 -29.188 1.00 31.51 C ATOM 850 CG1 ILE A 57 -16.515 2.013 -28.160 1.00 43.25 C ATOM 851 CG2 ILE A 57 -14.292 2.580 -29.175 1.00 44.21 C ATOM 852 CD1 ILE A 57 -15.970 2.152 -26.756 1.00 72.21 C ATOM 0 H ILE A 57 -18.015 4.007 -29.483 1.00 3.51 H new ATOM 0 HA ILE A 57 -15.722 4.596 -27.884 1.00 2.52 H new ATOM 0 HB ILE A 57 -16.172 2.644 -30.178 1.00 31.51 H new ATOM 0 HG12 ILE A 57 -17.572 2.279 -28.159 1.00 43.25 H new ATOM 0 HG13 ILE A 57 -16.450 0.969 -28.465 1.00 43.25 H new ATOM 0 HG21 ILE A 57 -14.132 1.521 -29.377 1.00 44.21 H new ATOM 0 HG22 ILE A 57 -13.794 3.175 -29.941 1.00 44.21 H new ATOM 0 HG23 ILE A 57 -13.879 2.829 -28.197 1.00 44.21 H new ATOM 0 HD11 ILE A 57 -16.536 1.510 -26.081 1.00 72.21 H new ATOM 0 HD12 ILE A 57 -14.921 1.858 -26.742 1.00 72.21 H new ATOM 0 HD13 ILE A 57 -16.060 3.189 -26.432 1.00 72.21 H new ATOM 864 N GLU A 58 -15.866 5.710 -30.920 1.00 14.01 N ATOM 865 CA GLU A 58 -15.195 6.527 -31.924 1.00 2.34 C ATOM 866 C GLU A 58 -14.409 7.658 -31.267 1.00 3.41 C ATOM 867 O GLU A 58 -13.189 7.761 -31.403 1.00 13.15 O ATOM 868 CB GLU A 58 -16.214 7.104 -32.908 1.00 43.45 C ATOM 869 CG GLU A 58 -16.071 6.561 -34.320 1.00 71.22 C ATOM 870 CD GLU A 58 -17.258 6.902 -35.200 1.00 12.54 C ATOM 871 OE1 GLU A 58 -18.159 7.625 -34.724 1.00 51.35 O ATOM 872 OE2 GLU A 58 -17.287 6.447 -36.362 1.00 4.40 O ATOM 0 H GLU A 58 -16.861 5.565 -31.091 1.00 14.01 H new ATOM 0 HA GLU A 58 -14.497 5.890 -32.467 1.00 2.34 H new ATOM 0 HB2 GLU A 58 -17.219 6.889 -32.545 1.00 43.45 H new ATOM 0 HB3 GLU A 58 -16.109 8.189 -32.932 1.00 43.45 H new ATOM 0 HG2 GLU A 58 -15.163 6.963 -34.769 1.00 71.22 H new ATOM 0 HG3 GLU A 58 -15.954 5.478 -34.279 1.00 71.22 H new ATOM 879 N PRO A 59 -15.123 8.529 -30.538 1.00 4.10 N ATOM 880 CA PRO A 59 -14.513 9.668 -29.846 1.00 14.54 C ATOM 881 C PRO A 59 -13.652 9.236 -28.664 1.00 63.33 C ATOM 882 O PRO A 59 -12.646 9.874 -28.350 1.00 55.32 O ATOM 883 CB PRO A 59 -15.720 10.475 -29.360 1.00 13.11 C ATOM 884 CG PRO A 59 -16.821 9.478 -29.246 1.00 32.14 C ATOM 885 CD PRO A 59 -16.580 8.468 -30.333 1.00 64.11 C ATOM 0 HA PRO A 59 -13.842 10.228 -30.497 1.00 14.54 H new ATOM 0 HB2 PRO A 59 -15.517 10.952 -28.401 1.00 13.11 H new ATOM 0 HB3 PRO A 59 -15.975 11.268 -30.063 1.00 13.11 H new ATOM 0 HG2 PRO A 59 -16.817 9.003 -28.265 1.00 32.14 H new ATOM 0 HG3 PRO A 59 -17.794 9.955 -29.366 1.00 32.14 H new ATOM 0 HD2 PRO A 59 -16.902 7.471 -30.034 1.00 64.11 H new ATOM 0 HD3 PRO A 59 -17.125 8.719 -31.243 1.00 64.11 H new ATOM 893 N CYS A 60 -14.051 8.148 -28.014 1.00 1.50 N ATOM 894 CA CYS A 60 -13.315 7.630 -26.866 1.00 45.53 C ATOM 895 C CYS A 60 -11.920 7.170 -27.278 1.00 1.12 C ATOM 896 O CYS A 60 -10.973 7.244 -26.494 1.00 72.41 O ATOM 897 CB CYS A 60 -14.079 6.472 -26.225 1.00 23.54 C ATOM 898 SG CYS A 60 -15.554 6.977 -25.310 1.00 30.15 S ATOM 0 H CYS A 60 -14.880 7.608 -28.262 1.00 1.50 H new ATOM 0 HA CYS A 60 -13.212 8.434 -26.138 1.00 45.53 H new ATOM 0 HB2 CYS A 60 -14.371 5.768 -27.004 1.00 23.54 H new ATOM 0 HB3 CYS A 60 -13.410 5.939 -25.549 1.00 23.54 H new ATOM 0 HG CYS A 60 -16.581 6.974 -26.107 1.00 30.15 H new ATOM 904 N LYS A 61 -11.800 6.694 -28.512 1.00 72.53 N ATOM 905 CA LYS A 61 -10.522 6.220 -29.030 1.00 21.04 C ATOM 906 C LYS A 61 -9.438 7.279 -28.856 1.00 14.54 C ATOM 907 O LYS A 61 -8.380 7.013 -28.286 1.00 31.52 O ATOM 908 CB LYS A 61 -10.653 5.848 -30.508 1.00 71.52 C ATOM 909 CG LYS A 61 -11.346 4.516 -30.741 1.00 0.12 C ATOM 910 CD LYS A 61 -10.520 3.606 -31.635 1.00 53.50 C ATOM 911 CE LYS A 61 -10.712 2.142 -31.270 1.00 54.43 C ATOM 912 NZ LYS A 61 -9.774 1.258 -32.014 1.00 64.32 N ATOM 0 H LYS A 61 -12.574 6.626 -29.173 1.00 72.53 H new ATOM 0 HA LYS A 61 -10.235 5.334 -28.463 1.00 21.04 H new ATOM 0 HB2 LYS A 61 -11.208 6.632 -31.023 1.00 71.52 H new ATOM 0 HB3 LYS A 61 -9.659 5.814 -30.955 1.00 71.52 H new ATOM 0 HG2 LYS A 61 -11.523 4.025 -29.784 1.00 0.12 H new ATOM 0 HG3 LYS A 61 -12.321 4.687 -31.196 1.00 0.12 H new ATOM 0 HD2 LYS A 61 -10.803 3.763 -32.676 1.00 53.50 H new ATOM 0 HD3 LYS A 61 -9.466 3.868 -31.548 1.00 53.50 H new ATOM 0 HE2 LYS A 61 -10.561 2.012 -30.198 1.00 54.43 H new ATOM 0 HE3 LYS A 61 -11.739 1.846 -31.485 1.00 54.43 H new ATOM 0 HZ1 LYS A 61 -9.936 0.269 -31.738 1.00 64.32 H new ATOM 0 HZ2 LYS A 61 -9.935 1.363 -33.036 1.00 64.32 H new ATOM 0 HZ3 LYS A 61 -8.794 1.524 -31.789 1.00 64.32 H new ATOM 926 N LYS A 62 -9.710 8.483 -29.349 1.00 3.14 N ATOM 927 CA LYS A 62 -8.760 9.585 -29.245 1.00 61.45 C ATOM 928 C LYS A 62 -8.368 9.831 -27.792 1.00 62.40 C ATOM 929 O LYS A 62 -7.288 10.349 -27.509 1.00 44.43 O ATOM 930 CB LYS A 62 -9.358 10.859 -29.846 1.00 61.22 C ATOM 931 CG LYS A 62 -8.700 11.284 -31.147 1.00 52.44 C ATOM 932 CD LYS A 62 -7.866 12.542 -30.966 1.00 34.44 C ATOM 933 CE LYS A 62 -7.364 13.075 -32.299 1.00 31.14 C ATOM 934 NZ LYS A 62 -6.226 14.019 -32.125 1.00 25.22 N ATOM 0 H LYS A 62 -10.581 8.720 -29.825 1.00 3.14 H new ATOM 0 HA LYS A 62 -7.864 9.313 -29.803 1.00 61.45 H new ATOM 0 HB2 LYS A 62 -10.423 10.703 -30.021 1.00 61.22 H new ATOM 0 HB3 LYS A 62 -9.269 11.669 -29.122 1.00 61.22 H new ATOM 0 HG2 LYS A 62 -8.067 10.477 -31.516 1.00 52.44 H new ATOM 0 HG3 LYS A 62 -9.466 11.460 -31.903 1.00 52.44 H new ATOM 0 HD2 LYS A 62 -8.463 13.307 -30.469 1.00 34.44 H new ATOM 0 HD3 LYS A 62 -7.018 12.327 -30.316 1.00 34.44 H new ATOM 0 HE2 LYS A 62 -7.052 12.242 -32.929 1.00 31.14 H new ATOM 0 HE3 LYS A 62 -8.179 13.580 -32.818 1.00 31.14 H new ATOM 0 HZ1 LYS A 62 -5.912 14.360 -33.056 1.00 25.22 H new ATOM 0 HZ2 LYS A 62 -6.531 14.827 -31.545 1.00 25.22 H new ATOM 0 HZ3 LYS A 62 -5.439 13.531 -31.652 1.00 25.22 H new ATOM 948 N PHE A 63 -9.251 9.454 -26.874 1.00 34.13 N ATOM 949 CA PHE A 63 -8.997 9.633 -25.449 1.00 50.31 C ATOM 950 C PHE A 63 -8.165 8.480 -24.896 1.00 0.13 C ATOM 951 O PHE A 63 -7.469 8.629 -23.892 1.00 25.23 O ATOM 952 CB PHE A 63 -10.317 9.738 -24.683 1.00 13.12 C ATOM 953 CG PHE A 63 -10.312 8.997 -23.376 1.00 55.42 C ATOM 954 CD1 PHE A 63 -9.855 9.608 -22.220 1.00 1.50 C ATOM 955 CD2 PHE A 63 -10.765 7.690 -23.304 1.00 70.34 C ATOM 956 CE1 PHE A 63 -9.849 8.930 -21.016 1.00 35.22 C ATOM 957 CE2 PHE A 63 -10.762 7.006 -22.103 1.00 54.31 C ATOM 958 CZ PHE A 63 -10.303 7.627 -20.958 1.00 21.43 C ATOM 0 H PHE A 63 -10.149 9.022 -27.091 1.00 34.13 H new ATOM 0 HA PHE A 63 -8.435 10.558 -25.319 1.00 50.31 H new ATOM 0 HB2 PHE A 63 -10.536 10.789 -24.495 1.00 13.12 H new ATOM 0 HB3 PHE A 63 -11.122 9.351 -25.308 1.00 13.12 H new ATOM 0 HD1 PHE A 63 -9.499 10.627 -22.260 1.00 1.50 H new ATOM 0 HD2 PHE A 63 -11.125 7.200 -24.197 1.00 70.34 H new ATOM 0 HE1 PHE A 63 -9.490 9.418 -20.122 1.00 35.22 H new ATOM 0 HE2 PHE A 63 -11.118 5.987 -22.060 1.00 54.31 H new ATOM 0 HZ PHE A 63 -10.299 7.094 -20.018 1.00 21.43 H new ATOM 968 N SER A 64 -8.244 7.330 -25.558 1.00 43.40 N ATOM 969 CA SER A 64 -7.502 6.150 -25.131 1.00 22.10 C ATOM 970 C SER A 64 -6.016 6.464 -24.988 1.00 2.52 C ATOM 971 O SER A 64 -5.356 5.988 -24.065 1.00 32.30 O ATOM 972 CB SER A 64 -7.699 5.008 -26.130 1.00 51.43 C ATOM 973 OG SER A 64 -8.018 3.798 -25.466 1.00 15.23 O ATOM 0 H SER A 64 -8.814 7.191 -26.392 1.00 43.40 H new ATOM 0 HA SER A 64 -7.886 5.843 -24.158 1.00 22.10 H new ATOM 0 HB2 SER A 64 -8.496 5.265 -26.828 1.00 51.43 H new ATOM 0 HB3 SER A 64 -6.791 4.875 -26.718 1.00 51.43 H new ATOM 0 HG SER A 64 -8.140 3.085 -26.127 1.00 15.23 H new ATOM 979 N GLU A 65 -5.497 7.271 -25.909 1.00 24.43 N ATOM 980 CA GLU A 65 -4.088 7.649 -25.886 1.00 34.44 C ATOM 981 C GLU A 65 -3.755 8.426 -24.616 1.00 4.32 C ATOM 982 O GLU A 65 -2.610 8.434 -24.161 1.00 63.45 O ATOM 983 CB GLU A 65 -3.743 8.488 -27.117 1.00 3.40 C ATOM 984 CG GLU A 65 -4.127 7.829 -28.431 1.00 3.01 C ATOM 985 CD GLU A 65 -2.963 7.736 -29.399 1.00 54.41 C ATOM 986 OE1 GLU A 65 -2.430 8.797 -29.787 1.00 63.23 O ATOM 987 OE2 GLU A 65 -2.587 6.605 -29.769 1.00 20.33 O ATOM 0 H GLU A 65 -6.030 7.675 -26.679 1.00 24.43 H new ATOM 0 HA GLU A 65 -3.492 6.737 -25.899 1.00 34.44 H new ATOM 0 HB2 GLU A 65 -4.248 9.451 -27.043 1.00 3.40 H new ATOM 0 HB3 GLU A 65 -2.672 8.689 -27.121 1.00 3.40 H new ATOM 0 HG2 GLU A 65 -4.511 6.828 -28.233 1.00 3.01 H new ATOM 0 HG3 GLU A 65 -4.936 8.394 -28.894 1.00 3.01 H new ATOM 994 N LEU A 66 -4.762 9.080 -24.048 1.00 43.40 N ATOM 995 CA LEU A 66 -4.576 9.863 -22.831 1.00 35.55 C ATOM 996 C LEU A 66 -4.235 8.959 -21.650 1.00 14.23 C ATOM 997 O LEU A 66 -3.495 9.351 -20.747 1.00 11.31 O ATOM 998 CB LEU A 66 -5.839 10.669 -22.522 1.00 40.31 C ATOM 999 CG LEU A 66 -6.381 11.530 -23.664 1.00 1.23 C ATOM 1000 CD1 LEU A 66 -7.622 12.288 -23.218 1.00 72.43 C ATOM 1001 CD2 LEU A 66 -5.313 12.496 -24.157 1.00 31.31 C ATOM 0 H LEU A 66 -5.715 9.084 -24.410 1.00 43.40 H new ATOM 0 HA LEU A 66 -3.745 10.549 -22.993 1.00 35.55 H new ATOM 0 HB2 LEU A 66 -6.622 9.976 -22.213 1.00 40.31 H new ATOM 0 HB3 LEU A 66 -5.633 11.318 -21.671 1.00 40.31 H new ATOM 0 HG LEU A 66 -6.658 10.873 -24.489 1.00 1.23 H new ATOM 0 HD11 LEU A 66 -7.994 12.895 -24.043 1.00 72.43 H new ATOM 0 HD12 LEU A 66 -8.392 11.579 -22.914 1.00 72.43 H new ATOM 0 HD13 LEU A 66 -7.371 12.934 -22.377 1.00 72.43 H new ATOM 0 HD21 LEU A 66 -5.716 13.100 -24.969 1.00 31.31 H new ATOM 0 HD22 LEU A 66 -5.005 13.147 -23.339 1.00 31.31 H new ATOM 0 HD23 LEU A 66 -4.451 11.933 -24.516 1.00 31.31 H new ATOM 1013 N THR A 67 -4.778 7.746 -21.663 1.00 74.21 N ATOM 1014 CA THR A 67 -4.531 6.786 -20.595 1.00 12.04 C ATOM 1015 C THR A 67 -3.054 6.418 -20.517 1.00 60.10 C ATOM 1016 O THR A 67 -2.577 5.939 -19.489 1.00 44.22 O ATOM 1017 CB THR A 67 -5.359 5.502 -20.790 1.00 60.24 C ATOM 1018 OG1 THR A 67 -6.704 5.836 -21.150 1.00 51.01 O ATOM 1019 CG2 THR A 67 -5.362 4.661 -19.523 1.00 3.25 C ATOM 0 H THR A 67 -5.392 7.405 -22.402 1.00 74.21 H new ATOM 0 HA THR A 67 -4.833 7.266 -19.664 1.00 12.04 H new ATOM 0 HB THR A 67 -4.902 4.921 -21.591 1.00 60.24 H new ATOM 0 HG1 THR A 67 -7.223 5.014 -21.274 1.00 51.01 H new ATOM 0 HG21 THR A 67 -5.953 3.760 -19.686 1.00 3.25 H new ATOM 0 HG22 THR A 67 -4.339 4.383 -19.268 1.00 3.25 H new ATOM 0 HG23 THR A 67 -5.796 5.237 -18.705 1.00 3.25 H new ATOM 1027 N GLY A 68 -2.334 6.645 -21.611 1.00 43.43 N ATOM 1028 CA GLY A 68 -0.917 6.332 -21.645 1.00 51.24 C ATOM 1029 C GLY A 68 -0.048 7.552 -21.416 1.00 2.52 C ATOM 1030 O GLY A 68 1.152 7.431 -21.164 1.00 50.14 O ATOM 0 H GLY A 68 -2.706 7.040 -22.475 1.00 43.43 H new ATOM 0 HA2 GLY A 68 -0.695 5.584 -20.884 1.00 51.24 H new ATOM 0 HA3 GLY A 68 -0.669 5.889 -22.610 1.00 51.24 H new ATOM 1034 N LEU A 69 -0.652 8.732 -21.504 1.00 10.23 N ATOM 1035 CA LEU A 69 0.075 9.981 -21.305 1.00 43.12 C ATOM 1036 C LEU A 69 0.028 10.412 -19.843 1.00 13.51 C ATOM 1037 O LEU A 69 0.745 11.324 -19.430 1.00 14.20 O ATOM 1038 CB LEU A 69 -0.509 11.081 -22.193 1.00 13.33 C ATOM 1039 CG LEU A 69 0.456 12.192 -22.608 1.00 53.30 C ATOM 1040 CD1 LEU A 69 1.641 11.614 -23.366 1.00 10.25 C ATOM 1041 CD2 LEU A 69 -0.263 13.234 -23.453 1.00 4.42 C ATOM 0 H LEU A 69 -1.644 8.850 -21.712 1.00 10.23 H new ATOM 0 HA LEU A 69 1.116 9.815 -21.581 1.00 43.12 H new ATOM 0 HB2 LEU A 69 -0.908 10.618 -23.096 1.00 13.33 H new ATOM 0 HB3 LEU A 69 -1.350 11.535 -21.669 1.00 13.33 H new ATOM 0 HG LEU A 69 0.830 12.678 -21.707 1.00 53.30 H new ATOM 0 HD11 LEU A 69 2.317 12.419 -23.653 1.00 10.25 H new ATOM 0 HD12 LEU A 69 2.170 10.906 -22.728 1.00 10.25 H new ATOM 0 HD13 LEU A 69 1.286 11.102 -24.260 1.00 10.25 H new ATOM 0 HD21 LEU A 69 0.439 14.017 -23.740 1.00 4.42 H new ATOM 0 HD22 LEU A 69 -0.665 12.761 -24.349 1.00 4.42 H new ATOM 0 HD23 LEU A 69 -1.078 13.671 -22.876 1.00 4.42 H new ATOM 1053 N VAL A 70 -0.820 9.750 -19.063 1.00 33.40 N ATOM 1054 CA VAL A 70 -0.959 10.062 -17.646 1.00 32.14 C ATOM 1055 C VAL A 70 -0.082 9.151 -16.794 1.00 14.14 C ATOM 1056 O VAL A 70 0.410 9.554 -15.740 1.00 3.13 O ATOM 1057 CB VAL A 70 -2.422 9.928 -17.182 1.00 50.21 C ATOM 1058 CG1 VAL A 70 -2.485 9.636 -15.691 1.00 32.12 C ATOM 1059 CG2 VAL A 70 -3.205 11.188 -17.521 1.00 21.15 C ATOM 0 H VAL A 70 -1.422 8.994 -19.389 1.00 33.40 H new ATOM 0 HA VAL A 70 -0.638 11.096 -17.517 1.00 32.14 H new ATOM 0 HB VAL A 70 -2.878 9.091 -17.711 1.00 50.21 H new ATOM 0 HG11 VAL A 70 -3.526 9.545 -15.382 1.00 32.12 H new ATOM 0 HG12 VAL A 70 -1.961 8.704 -15.480 1.00 32.12 H new ATOM 0 HG13 VAL A 70 -2.013 10.450 -15.141 1.00 32.12 H new ATOM 0 HG21 VAL A 70 -4.236 11.077 -17.186 1.00 21.15 H new ATOM 0 HG22 VAL A 70 -2.752 12.044 -17.021 1.00 21.15 H new ATOM 0 HG23 VAL A 70 -3.189 11.348 -18.599 1.00 21.15 H new ATOM 1069 N PHE A 71 0.109 7.921 -17.257 1.00 61.43 N ATOM 1070 CA PHE A 71 0.927 6.951 -16.538 1.00 34.04 C ATOM 1071 C PHE A 71 2.353 6.934 -17.079 1.00 2.11 C ATOM 1072 O PHE A 71 3.196 6.165 -16.615 1.00 53.13 O ATOM 1073 CB PHE A 71 0.312 5.554 -16.645 1.00 72.00 C ATOM 1074 CG PHE A 71 -0.948 5.390 -15.844 1.00 53.43 C ATOM 1075 CD1 PHE A 71 -2.136 5.962 -16.272 1.00 3.40 C ATOM 1076 CD2 PHE A 71 -0.946 4.664 -14.664 1.00 43.42 C ATOM 1077 CE1 PHE A 71 -3.296 5.814 -15.537 1.00 34.05 C ATOM 1078 CE2 PHE A 71 -2.104 4.512 -13.925 1.00 5.23 C ATOM 1079 CZ PHE A 71 -3.281 5.087 -14.362 1.00 44.02 C ATOM 0 H PHE A 71 -0.292 7.572 -18.128 1.00 61.43 H new ATOM 0 HA PHE A 71 0.959 7.247 -15.489 1.00 34.04 H new ATOM 0 HB2 PHE A 71 0.098 5.339 -17.692 1.00 72.00 H new ATOM 0 HB3 PHE A 71 1.043 4.817 -16.312 1.00 72.00 H new ATOM 0 HD1 PHE A 71 -2.155 6.530 -17.191 1.00 3.40 H new ATOM 0 HD2 PHE A 71 -0.029 4.211 -14.318 1.00 43.42 H new ATOM 0 HE1 PHE A 71 -4.215 6.266 -15.881 1.00 34.05 H new ATOM 0 HE2 PHE A 71 -2.088 3.944 -13.007 1.00 5.23 H new ATOM 0 HZ PHE A 71 -4.187 4.969 -13.787 1.00 44.02 H new ATOM 1089 N TYR A 72 2.616 7.787 -18.063 1.00 22.03 N ATOM 1090 CA TYR A 72 3.939 7.869 -18.670 1.00 22.11 C ATOM 1091 C TYR A 72 4.533 9.264 -18.497 1.00 32.44 C ATOM 1092 O TYR A 72 5.576 9.433 -17.863 1.00 54.44 O ATOM 1093 CB TYR A 72 3.864 7.516 -20.156 1.00 60.43 C ATOM 1094 CG TYR A 72 5.187 7.075 -20.742 1.00 13.33 C ATOM 1095 CD1 TYR A 72 5.889 6.007 -20.196 1.00 51.52 C ATOM 1096 CD2 TYR A 72 5.735 7.727 -21.839 1.00 53.33 C ATOM 1097 CE1 TYR A 72 7.098 5.602 -20.727 1.00 61.12 C ATOM 1098 CE2 TYR A 72 6.942 7.328 -22.378 1.00 25.32 C ATOM 1099 CZ TYR A 72 7.620 6.265 -21.818 1.00 64.22 C ATOM 1100 OH TYR A 72 8.825 5.865 -22.351 1.00 35.33 O ATOM 0 H TYR A 72 1.930 8.431 -18.457 1.00 22.03 H new ATOM 0 HA TYR A 72 4.587 7.153 -18.165 1.00 22.11 H new ATOM 0 HB2 TYR A 72 3.132 6.721 -20.295 1.00 60.43 H new ATOM 0 HB3 TYR A 72 3.502 8.383 -20.709 1.00 60.43 H new ATOM 0 HD1 TYR A 72 5.482 5.485 -19.342 1.00 51.52 H new ATOM 0 HD2 TYR A 72 5.208 8.561 -22.278 1.00 53.33 H new ATOM 0 HE1 TYR A 72 7.632 4.771 -20.290 1.00 61.12 H new ATOM 0 HE2 TYR A 72 7.353 7.845 -23.233 1.00 25.32 H new ATOM 0 HH TYR A 72 9.050 6.435 -23.116 1.00 35.33 H new ATOM 1110 N LEU A 73 3.861 10.260 -19.063 1.00 71.31 N ATOM 1111 CA LEU A 73 4.320 11.642 -18.972 1.00 33.52 C ATOM 1112 C LEU A 73 3.146 12.592 -18.754 1.00 25.42 C ATOM 1113 O LEU A 73 2.725 13.314 -19.657 1.00 73.02 O ATOM 1114 CB LEU A 73 5.078 12.033 -20.241 1.00 65.31 C ATOM 1115 CG LEU A 73 6.102 13.158 -20.091 1.00 43.40 C ATOM 1116 CD1 LEU A 73 7.468 12.593 -19.733 1.00 42.42 C ATOM 1117 CD2 LEU A 73 6.182 13.981 -21.369 1.00 15.12 C ATOM 0 H LEU A 73 2.996 10.137 -19.590 1.00 71.31 H new ATOM 0 HA LEU A 73 4.991 11.721 -18.117 1.00 33.52 H new ATOM 0 HB2 LEU A 73 5.592 11.150 -20.620 1.00 65.31 H new ATOM 0 HB3 LEU A 73 4.351 12.329 -20.998 1.00 65.31 H new ATOM 0 HG LEU A 73 5.778 13.812 -19.281 1.00 43.40 H new ATOM 0 HD11 LEU A 73 8.184 13.409 -19.630 1.00 42.42 H new ATOM 0 HD12 LEU A 73 7.401 12.048 -18.791 1.00 42.42 H new ATOM 0 HD13 LEU A 73 7.800 11.916 -20.521 1.00 42.42 H new ATOM 0 HD21 LEU A 73 6.916 14.777 -21.244 1.00 15.12 H new ATOM 0 HD22 LEU A 73 6.481 13.339 -22.197 1.00 15.12 H new ATOM 0 HD23 LEU A 73 5.206 14.417 -21.582 1.00 15.12 H new ATOM 1129 N PRO A 74 2.607 12.594 -17.526 1.00 32.01 N ATOM 1130 CA PRO A 74 1.477 13.453 -17.160 1.00 34.35 C ATOM 1131 C PRO A 74 1.864 14.926 -17.099 1.00 10.32 C ATOM 1132 O PRO A 74 2.845 15.295 -16.453 1.00 2.44 O ATOM 1133 CB PRO A 74 1.082 12.946 -15.770 1.00 71.12 C ATOM 1134 CG PRO A 74 2.326 12.337 -15.221 1.00 51.04 C ATOM 1135 CD PRO A 74 3.059 11.759 -16.400 1.00 51.03 C ATOM 0 HA PRO A 74 0.672 13.401 -17.893 1.00 34.35 H new ATOM 0 HB2 PRO A 74 0.727 13.760 -15.138 1.00 71.12 H new ATOM 0 HB3 PRO A 74 0.276 12.214 -15.830 1.00 71.12 H new ATOM 0 HG2 PRO A 74 2.934 13.084 -14.711 1.00 51.04 H new ATOM 0 HG3 PRO A 74 2.092 11.564 -14.489 1.00 51.04 H new ATOM 0 HD2 PRO A 74 4.140 11.814 -16.268 1.00 51.03 H new ATOM 0 HD3 PRO A 74 2.809 10.709 -16.553 1.00 51.03 H new ATOM 1143 N THR A 75 1.087 15.766 -17.776 1.00 11.22 N ATOM 1144 CA THR A 75 1.349 17.200 -17.799 1.00 61.41 C ATOM 1145 C THR A 75 1.167 17.814 -16.416 1.00 42.41 C ATOM 1146 O THR A 75 1.589 18.944 -16.168 1.00 65.01 O ATOM 1147 CB THR A 75 0.424 17.924 -18.796 1.00 25.40 C ATOM 1148 OG1 THR A 75 0.498 17.293 -20.079 1.00 72.43 O ATOM 1149 CG2 THR A 75 0.809 19.390 -18.924 1.00 13.05 C ATOM 0 H THR A 75 0.271 15.478 -18.316 1.00 11.22 H new ATOM 0 HA THR A 75 2.384 17.327 -18.117 1.00 61.41 H new ATOM 0 HB THR A 75 -0.597 17.864 -18.420 1.00 25.40 H new ATOM 0 HG1 THR A 75 -0.094 17.758 -20.707 1.00 72.43 H new ATOM 0 HG21 THR A 75 0.142 19.881 -19.633 1.00 13.05 H new ATOM 0 HG22 THR A 75 0.724 19.875 -17.951 1.00 13.05 H new ATOM 0 HG23 THR A 75 1.837 19.467 -19.279 1.00 13.05 H new ATOM 1157 N ASP A 76 0.537 17.064 -15.519 1.00 2.52 N ATOM 1158 CA ASP A 76 0.301 17.536 -14.159 1.00 21.40 C ATOM 1159 C ASP A 76 -0.393 16.463 -13.325 1.00 41.11 C ATOM 1160 O ASP A 76 -0.534 15.320 -13.759 1.00 64.21 O ATOM 1161 CB ASP A 76 -0.543 18.811 -14.178 1.00 34.44 C ATOM 1162 CG ASP A 76 -0.134 19.792 -13.097 1.00 43.23 C ATOM 1163 OD1 ASP A 76 1.025 20.256 -13.126 1.00 41.13 O ATOM 1164 OD2 ASP A 76 -0.972 20.096 -12.222 1.00 63.13 O ATOM 0 H ASP A 76 0.181 16.127 -15.708 1.00 2.52 H new ATOM 0 HA ASP A 76 1.267 17.756 -13.704 1.00 21.40 H new ATOM 0 HB2 ASP A 76 -0.451 19.290 -15.153 1.00 34.44 H new ATOM 0 HB3 ASP A 76 -1.593 18.550 -14.049 1.00 34.44 H new ATOM 1169 N SER A 77 -0.824 16.840 -12.126 1.00 2.04 N ATOM 1170 CA SER A 77 -1.499 15.909 -11.229 1.00 3.35 C ATOM 1171 C SER A 77 -2.805 15.415 -11.841 1.00 75.05 C ATOM 1172 O SER A 77 -3.368 14.412 -11.406 1.00 32.44 O ATOM 1173 CB SER A 77 -1.775 16.577 -9.880 1.00 51.22 C ATOM 1174 OG SER A 77 -3.064 17.166 -9.857 1.00 70.33 O ATOM 0 H SER A 77 -0.718 17.783 -11.753 1.00 2.04 H new ATOM 0 HA SER A 77 -0.844 15.052 -11.075 1.00 3.35 H new ATOM 0 HB2 SER A 77 -1.695 15.839 -9.082 1.00 51.22 H new ATOM 0 HB3 SER A 77 -1.020 17.339 -9.687 1.00 51.22 H new ATOM 0 HG SER A 77 -3.217 17.585 -8.984 1.00 70.33 H new ATOM 1180 N GLY A 78 -3.283 16.129 -12.857 1.00 21.52 N ATOM 1181 CA GLY A 78 -4.520 15.748 -13.514 1.00 44.10 C ATOM 1182 C GLY A 78 -4.812 16.597 -14.736 1.00 22.43 C ATOM 1183 O GLY A 78 -5.972 16.815 -15.084 1.00 5.00 O ATOM 0 H GLY A 78 -2.836 16.964 -13.236 1.00 21.52 H new ATOM 0 HA2 GLY A 78 -4.464 14.700 -13.808 1.00 44.10 H new ATOM 0 HA3 GLY A 78 -5.345 15.837 -12.808 1.00 44.10 H new ATOM 1187 N GLU A 79 -3.757 17.077 -15.387 1.00 1.34 N ATOM 1188 CA GLU A 79 -3.907 17.909 -16.575 1.00 33.12 C ATOM 1189 C GLU A 79 -4.396 17.081 -17.760 1.00 42.11 C ATOM 1190 O GLU A 79 -5.280 17.504 -18.505 1.00 73.31 O ATOM 1191 CB GLU A 79 -2.579 18.584 -16.923 1.00 52.32 C ATOM 1192 CG GLU A 79 -2.511 20.044 -16.506 1.00 63.32 C ATOM 1193 CD GLU A 79 -3.472 20.919 -17.287 1.00 1.24 C ATOM 1194 OE1 GLU A 79 -3.349 20.977 -18.528 1.00 22.32 O ATOM 1195 OE2 GLU A 79 -4.348 21.547 -16.655 1.00 61.31 O ATOM 0 H GLU A 79 -2.790 16.904 -15.112 1.00 1.34 H new ATOM 0 HA GLU A 79 -4.650 18.677 -16.359 1.00 33.12 H new ATOM 0 HB2 GLU A 79 -1.767 18.039 -16.442 1.00 52.32 H new ATOM 0 HB3 GLU A 79 -2.416 18.514 -17.999 1.00 52.32 H new ATOM 0 HG2 GLU A 79 -2.734 20.125 -15.442 1.00 63.32 H new ATOM 0 HG3 GLU A 79 -1.494 20.411 -16.647 1.00 63.32 H new ATOM 1202 N LYS A 80 -3.813 15.899 -17.929 1.00 1.11 N ATOM 1203 CA LYS A 80 -4.187 15.010 -19.022 1.00 52.02 C ATOM 1204 C LYS A 80 -5.451 14.229 -18.679 1.00 75.53 C ATOM 1205 O LYS A 80 -6.155 13.748 -19.567 1.00 51.03 O ATOM 1206 CB LYS A 80 -3.044 14.041 -19.333 1.00 33.11 C ATOM 1207 CG LYS A 80 -2.074 14.560 -20.380 1.00 54.01 C ATOM 1208 CD LYS A 80 -2.733 14.668 -21.745 1.00 62.33 C ATOM 1209 CE LYS A 80 -2.201 15.859 -22.528 1.00 72.41 C ATOM 1210 NZ LYS A 80 -2.493 15.741 -23.984 1.00 34.35 N ATOM 0 H LYS A 80 -3.079 15.534 -17.322 1.00 1.11 H new ATOM 0 HA LYS A 80 -4.386 15.621 -19.902 1.00 52.02 H new ATOM 0 HB2 LYS A 80 -2.496 13.832 -18.414 1.00 33.11 H new ATOM 0 HB3 LYS A 80 -3.464 13.095 -19.676 1.00 33.11 H new ATOM 0 HG2 LYS A 80 -1.699 15.538 -20.077 1.00 54.01 H new ATOM 0 HG3 LYS A 80 -1.213 13.894 -20.442 1.00 54.01 H new ATOM 0 HD2 LYS A 80 -2.556 13.752 -22.309 1.00 62.33 H new ATOM 0 HD3 LYS A 80 -3.812 14.764 -21.623 1.00 62.33 H new ATOM 0 HE2 LYS A 80 -2.646 16.776 -22.141 1.00 72.41 H new ATOM 0 HE3 LYS A 80 -1.124 15.940 -22.379 1.00 72.41 H new ATOM 0 HZ1 LYS A 80 -1.885 16.397 -24.514 1.00 34.35 H new ATOM 0 HZ2 LYS A 80 -2.307 14.767 -24.298 1.00 34.35 H new ATOM 0 HZ3 LYS A 80 -3.491 15.976 -24.158 1.00 34.35 H new ATOM 1224 N MET A 81 -5.734 14.107 -17.386 1.00 71.24 N ATOM 1225 CA MET A 81 -6.916 13.386 -16.927 1.00 64.34 C ATOM 1226 C MET A 81 -8.143 14.291 -16.939 1.00 75.30 C ATOM 1227 O MET A 81 -9.218 13.891 -17.388 1.00 53.34 O ATOM 1228 CB MET A 81 -6.688 12.834 -15.519 1.00 25.02 C ATOM 1229 CG MET A 81 -5.337 12.159 -15.342 1.00 1.43 C ATOM 1230 SD MET A 81 -5.034 11.648 -13.639 1.00 43.34 S ATOM 1231 CE MET A 81 -3.339 12.185 -13.421 1.00 41.25 C ATOM 0 H MET A 81 -5.161 14.498 -16.638 1.00 71.24 H new ATOM 0 HA MET A 81 -7.093 12.555 -17.610 1.00 64.34 H new ATOM 0 HB2 MET A 81 -6.775 13.648 -14.800 1.00 25.02 H new ATOM 0 HB3 MET A 81 -7.476 12.118 -15.286 1.00 25.02 H new ATOM 0 HG2 MET A 81 -5.282 11.287 -15.994 1.00 1.43 H new ATOM 0 HG3 MET A 81 -4.549 12.843 -15.658 1.00 1.43 H new ATOM 0 HE1 MET A 81 -3.204 12.560 -12.406 1.00 41.25 H new ATOM 0 HE2 MET A 81 -2.666 11.344 -13.590 1.00 41.25 H new ATOM 0 HE3 MET A 81 -3.114 12.978 -14.134 1.00 41.25 H new ATOM 1241 N THR A 82 -7.978 15.512 -16.442 1.00 5.53 N ATOM 1242 CA THR A 82 -9.072 16.473 -16.394 1.00 13.34 C ATOM 1243 C THR A 82 -9.644 16.726 -17.784 1.00 44.01 C ATOM 1244 O THR A 82 -10.791 17.148 -17.926 1.00 23.20 O ATOM 1245 CB THR A 82 -8.617 17.814 -15.787 1.00 30.24 C ATOM 1246 OG1 THR A 82 -9.753 18.650 -15.539 1.00 44.32 O ATOM 1247 CG2 THR A 82 -7.648 18.528 -16.717 1.00 20.31 C ATOM 0 H THR A 82 -7.096 15.859 -16.066 1.00 5.53 H new ATOM 0 HA THR A 82 -9.845 16.039 -15.759 1.00 13.34 H new ATOM 0 HB THR A 82 -8.107 17.607 -14.846 1.00 30.24 H new ATOM 0 HG1 THR A 82 -9.456 19.500 -15.152 1.00 44.32 H new ATOM 0 HG21 THR A 82 -7.341 19.472 -16.267 1.00 20.31 H new ATOM 0 HG22 THR A 82 -6.771 17.901 -16.880 1.00 20.31 H new ATOM 0 HG23 THR A 82 -8.137 18.723 -17.672 1.00 20.31 H new ATOM 1255 N GLU A 83 -8.836 16.465 -18.807 1.00 61.42 N ATOM 1256 CA GLU A 83 -9.263 16.665 -20.187 1.00 61.41 C ATOM 1257 C GLU A 83 -10.099 15.485 -20.674 1.00 72.22 C ATOM 1258 O GLU A 83 -10.848 15.600 -21.644 1.00 70.44 O ATOM 1259 CB GLU A 83 -8.048 16.853 -21.098 1.00 11.40 C ATOM 1260 CG GLU A 83 -7.252 18.113 -20.798 1.00 73.42 C ATOM 1261 CD GLU A 83 -5.864 18.084 -21.406 1.00 64.24 C ATOM 1262 OE1 GLU A 83 -5.340 16.974 -21.638 1.00 43.32 O ATOM 1263 OE2 GLU A 83 -5.301 19.172 -21.651 1.00 20.33 O ATOM 0 H GLU A 83 -7.883 16.115 -18.706 1.00 61.42 H new ATOM 0 HA GLU A 83 -9.878 17.564 -20.223 1.00 61.41 H new ATOM 0 HB2 GLU A 83 -7.393 15.987 -20.999 1.00 11.40 H new ATOM 0 HB3 GLU A 83 -8.383 16.883 -22.135 1.00 11.40 H new ATOM 0 HG2 GLU A 83 -7.793 18.979 -21.178 1.00 73.42 H new ATOM 0 HG3 GLU A 83 -7.169 18.238 -19.718 1.00 73.42 H new ATOM 1270 N SER A 84 -9.965 14.351 -19.994 1.00 20.12 N ATOM 1271 CA SER A 84 -10.704 13.148 -20.359 1.00 52.20 C ATOM 1272 C SER A 84 -12.167 13.261 -19.940 1.00 2.21 C ATOM 1273 O SER A 84 -13.046 12.642 -20.539 1.00 35.34 O ATOM 1274 CB SER A 84 -10.069 11.917 -19.710 1.00 34.14 C ATOM 1275 OG SER A 84 -8.819 11.614 -20.304 1.00 11.31 O ATOM 0 H SER A 84 -9.351 14.240 -19.187 1.00 20.12 H new ATOM 0 HA SER A 84 -10.662 13.040 -21.443 1.00 52.20 H new ATOM 0 HB2 SER A 84 -9.935 12.093 -18.643 1.00 34.14 H new ATOM 0 HB3 SER A 84 -10.739 11.063 -19.810 1.00 34.14 H new ATOM 0 HG SER A 84 -8.871 10.743 -20.750 1.00 11.31 H new ATOM 1281 N LYS A 85 -12.420 14.057 -18.906 1.00 44.04 N ATOM 1282 CA LYS A 85 -13.775 14.254 -18.405 1.00 43.25 C ATOM 1283 C LYS A 85 -14.575 15.154 -19.341 1.00 51.42 C ATOM 1284 O LYS A 85 -15.806 15.127 -19.342 1.00 63.12 O ATOM 1285 CB LYS A 85 -13.738 14.864 -17.002 1.00 71.51 C ATOM 1286 CG LYS A 85 -15.048 14.727 -16.245 1.00 62.52 C ATOM 1287 CD LYS A 85 -14.994 15.439 -14.904 1.00 61.11 C ATOM 1288 CE LYS A 85 -14.090 14.710 -13.922 1.00 32.24 C ATOM 1289 NZ LYS A 85 -14.644 14.728 -12.539 1.00 53.55 N ATOM 0 H LYS A 85 -11.704 14.576 -18.399 1.00 44.04 H new ATOM 0 HA LYS A 85 -14.264 13.281 -18.359 1.00 43.25 H new ATOM 0 HB2 LYS A 85 -12.944 14.386 -16.428 1.00 71.51 H new ATOM 0 HB3 LYS A 85 -13.482 15.921 -17.081 1.00 71.51 H new ATOM 0 HG2 LYS A 85 -15.860 15.139 -16.844 1.00 62.52 H new ATOM 0 HG3 LYS A 85 -15.270 13.671 -16.089 1.00 62.52 H new ATOM 0 HD2 LYS A 85 -14.632 16.457 -15.046 1.00 61.11 H new ATOM 0 HD3 LYS A 85 -15.999 15.513 -14.489 1.00 61.11 H new ATOM 0 HE2 LYS A 85 -13.958 13.678 -14.247 1.00 32.24 H new ATOM 0 HE3 LYS A 85 -13.103 15.173 -13.924 1.00 32.24 H new ATOM 0 HZ1 LYS A 85 -13.999 14.221 -11.900 1.00 53.55 H new ATOM 0 HZ2 LYS A 85 -14.746 15.712 -12.219 1.00 53.55 H new ATOM 0 HZ3 LYS A 85 -15.574 14.263 -12.532 1.00 53.55 H new ATOM 1303 N SER A 86 -13.868 15.950 -20.137 1.00 54.44 N ATOM 1304 CA SER A 86 -14.514 16.860 -21.076 1.00 45.54 C ATOM 1305 C SER A 86 -14.801 16.160 -22.401 1.00 40.31 C ATOM 1306 O SER A 86 -15.616 16.625 -23.198 1.00 42.14 O ATOM 1307 CB SER A 86 -13.633 18.088 -21.316 1.00 41.31 C ATOM 1308 OG SER A 86 -13.873 18.646 -22.596 1.00 51.15 O ATOM 0 H SER A 86 -12.849 15.983 -20.151 1.00 54.44 H new ATOM 0 HA SER A 86 -15.461 17.180 -20.641 1.00 45.54 H new ATOM 0 HB2 SER A 86 -13.829 18.836 -20.547 1.00 41.31 H new ATOM 0 HB3 SER A 86 -12.583 17.809 -21.229 1.00 41.31 H new ATOM 0 HG SER A 86 -13.299 19.430 -22.724 1.00 51.15 H new ATOM 1314 N VAL A 87 -14.125 15.038 -22.629 1.00 52.51 N ATOM 1315 CA VAL A 87 -14.307 14.272 -23.856 1.00 54.21 C ATOM 1316 C VAL A 87 -15.534 13.371 -23.764 1.00 40.43 C ATOM 1317 O VAL A 87 -16.227 13.144 -24.757 1.00 41.31 O ATOM 1318 CB VAL A 87 -13.071 13.408 -24.167 1.00 32.43 C ATOM 1319 CG1 VAL A 87 -13.171 12.815 -25.564 1.00 50.31 C ATOM 1320 CG2 VAL A 87 -11.798 14.226 -24.015 1.00 63.22 C ATOM 0 H VAL A 87 -13.446 14.640 -21.980 1.00 52.51 H new ATOM 0 HA VAL A 87 -14.449 14.993 -24.661 1.00 54.21 H new ATOM 0 HB VAL A 87 -13.035 12.586 -23.452 1.00 32.43 H new ATOM 0 HG11 VAL A 87 -12.289 12.208 -25.766 1.00 50.31 H new ATOM 0 HG12 VAL A 87 -14.063 12.192 -25.632 1.00 50.31 H new ATOM 0 HG13 VAL A 87 -13.233 13.619 -26.297 1.00 50.31 H new ATOM 0 HG21 VAL A 87 -10.934 13.600 -24.239 1.00 63.22 H new ATOM 0 HG22 VAL A 87 -11.823 15.069 -24.705 1.00 63.22 H new ATOM 0 HG23 VAL A 87 -11.723 14.596 -22.992 1.00 63.22 H new ATOM 1330 N LEU A 88 -15.798 12.861 -22.567 1.00 25.53 N ATOM 1331 CA LEU A 88 -16.942 11.984 -22.344 1.00 21.31 C ATOM 1332 C LEU A 88 -18.200 12.794 -22.051 1.00 53.52 C ATOM 1333 O LEU A 88 -19.306 12.401 -22.423 1.00 12.11 O ATOM 1334 CB LEU A 88 -16.658 11.026 -21.186 1.00 23.24 C ATOM 1335 CG LEU A 88 -15.346 10.245 -21.267 1.00 63.32 C ATOM 1336 CD1 LEU A 88 -15.204 9.313 -20.074 1.00 32.23 C ATOM 1337 CD2 LEU A 88 -15.272 9.461 -22.570 1.00 4.24 C ATOM 0 H LEU A 88 -15.235 13.040 -21.735 1.00 25.53 H new ATOM 0 HA LEU A 88 -17.107 11.406 -23.253 1.00 21.31 H new ATOM 0 HB2 LEU A 88 -16.660 11.598 -20.258 1.00 23.24 H new ATOM 0 HB3 LEU A 88 -17.479 10.312 -21.122 1.00 23.24 H new ATOM 0 HG LEU A 88 -14.520 10.956 -21.246 1.00 63.32 H new ATOM 0 HD11 LEU A 88 -14.264 8.766 -20.150 1.00 32.23 H new ATOM 0 HD12 LEU A 88 -15.211 9.897 -19.153 1.00 32.23 H new ATOM 0 HD13 LEU A 88 -16.035 8.607 -20.063 1.00 32.23 H new ATOM 0 HD21 LEU A 88 -14.332 8.911 -22.611 1.00 4.24 H new ATOM 0 HD22 LEU A 88 -16.105 8.760 -22.621 1.00 4.24 H new ATOM 0 HD23 LEU A 88 -15.326 10.150 -23.413 1.00 4.24 H new ATOM 1349 N LYS A 89 -18.024 13.930 -21.384 1.00 53.13 N ATOM 1350 CA LYS A 89 -19.144 14.800 -21.044 1.00 72.40 C ATOM 1351 C LYS A 89 -19.639 15.555 -22.273 1.00 54.21 C ATOM 1352 O LYS A 89 -20.841 15.762 -22.444 1.00 3.54 O ATOM 1353 CB LYS A 89 -18.733 15.792 -19.954 1.00 33.34 C ATOM 1354 CG LYS A 89 -19.877 16.660 -19.459 1.00 32.12 C ATOM 1355 CD LYS A 89 -19.599 18.135 -19.693 1.00 11.21 C ATOM 1356 CE LYS A 89 -20.157 18.602 -21.029 1.00 3.43 C ATOM 1357 NZ LYS A 89 -20.402 20.071 -21.044 1.00 44.23 N ATOM 0 H LYS A 89 -17.116 14.270 -21.068 1.00 53.13 H new ATOM 0 HA LYS A 89 -19.956 14.176 -20.671 1.00 72.40 H new ATOM 0 HB2 LYS A 89 -18.315 15.241 -19.111 1.00 33.34 H new ATOM 0 HB3 LYS A 89 -17.941 16.434 -20.339 1.00 33.34 H new ATOM 0 HG2 LYS A 89 -20.797 16.377 -19.970 1.00 32.12 H new ATOM 0 HG3 LYS A 89 -20.035 16.483 -18.395 1.00 32.12 H new ATOM 0 HD2 LYS A 89 -20.041 18.722 -18.888 1.00 11.21 H new ATOM 0 HD3 LYS A 89 -18.524 18.313 -19.664 1.00 11.21 H new ATOM 0 HE2 LYS A 89 -19.459 18.342 -21.825 1.00 3.43 H new ATOM 0 HE3 LYS A 89 -21.089 18.076 -21.237 1.00 3.43 H new ATOM 0 HZ1 LYS A 89 -20.782 20.350 -21.971 1.00 44.23 H new ATOM 0 HZ2 LYS A 89 -21.087 20.316 -20.301 1.00 44.23 H new ATOM 0 HZ3 LYS A 89 -19.508 20.574 -20.870 1.00 44.23 H new ATOM 1371 N SER A 90 -18.706 15.963 -23.127 1.00 52.12 N ATOM 1372 CA SER A 90 -19.048 16.698 -24.340 1.00 31.35 C ATOM 1373 C SER A 90 -19.506 15.746 -25.440 1.00 74.13 C ATOM 1374 O SER A 90 -20.173 16.154 -26.393 1.00 3.14 O ATOM 1375 CB SER A 90 -17.848 17.514 -24.822 1.00 65.35 C ATOM 1376 OG SER A 90 -18.201 18.343 -25.916 1.00 11.12 O ATOM 0 H SER A 90 -17.707 15.797 -23.002 1.00 52.12 H new ATOM 0 HA SER A 90 -19.868 17.376 -24.106 1.00 31.35 H new ATOM 0 HB2 SER A 90 -17.469 18.127 -24.004 1.00 65.35 H new ATOM 0 HB3 SER A 90 -17.042 16.842 -25.116 1.00 65.35 H new ATOM 0 HG SER A 90 -17.417 18.855 -26.204 1.00 11.12 H new ATOM 1382 N LEU A 91 -19.145 14.475 -25.303 1.00 42.11 N ATOM 1383 CA LEU A 91 -19.518 13.463 -26.285 1.00 52.01 C ATOM 1384 C LEU A 91 -20.978 13.053 -26.117 1.00 1.41 C ATOM 1385 O LEU A 91 -21.738 13.010 -27.085 1.00 10.21 O ATOM 1386 CB LEU A 91 -18.614 12.237 -26.152 1.00 22.52 C ATOM 1387 CG LEU A 91 -19.247 10.893 -26.514 1.00 34.22 C ATOM 1388 CD1 LEU A 91 -19.724 10.899 -27.958 1.00 12.31 C ATOM 1389 CD2 LEU A 91 -18.261 9.758 -26.281 1.00 63.01 C ATOM 0 H LEU A 91 -18.594 14.121 -24.521 1.00 42.11 H new ATOM 0 HA LEU A 91 -19.392 13.893 -27.279 1.00 52.01 H new ATOM 0 HB2 LEU A 91 -17.739 12.386 -26.784 1.00 22.52 H new ATOM 0 HB3 LEU A 91 -18.258 12.183 -25.123 1.00 22.52 H new ATOM 0 HG LEU A 91 -20.111 10.735 -25.868 1.00 34.22 H new ATOM 0 HD11 LEU A 91 -20.172 9.934 -28.197 1.00 12.31 H new ATOM 0 HD12 LEU A 91 -20.465 11.686 -28.093 1.00 12.31 H new ATOM 0 HD13 LEU A 91 -18.877 11.080 -28.620 1.00 12.31 H new ATOM 0 HD21 LEU A 91 -18.729 8.810 -26.544 1.00 63.01 H new ATOM 0 HD22 LEU A 91 -17.377 9.911 -26.901 1.00 63.01 H new ATOM 0 HD23 LEU A 91 -17.969 9.740 -25.231 1.00 63.01 H new ATOM 1401 N THR A 92 -21.365 12.755 -24.880 1.00 62.15 N ATOM 1402 CA THR A 92 -22.733 12.350 -24.585 1.00 12.14 C ATOM 1403 C THR A 92 -23.735 13.371 -25.112 1.00 62.13 C ATOM 1404 O THR A 92 -24.875 13.030 -25.427 1.00 25.34 O ATOM 1405 CB THR A 92 -22.951 12.170 -23.070 1.00 62.34 C ATOM 1406 OG1 THR A 92 -24.124 11.384 -22.834 1.00 72.33 O ATOM 1407 CG2 THR A 92 -23.090 13.518 -22.379 1.00 64.32 C ATOM 0 H THR A 92 -20.750 12.787 -24.067 1.00 62.15 H new ATOM 0 HA THR A 92 -22.894 11.395 -25.085 1.00 12.14 H new ATOM 0 HB THR A 92 -22.082 11.657 -22.659 1.00 62.34 H new ATOM 0 HG1 THR A 92 -24.529 11.648 -21.982 1.00 72.33 H new ATOM 0 HG21 THR A 92 -23.243 13.365 -21.311 1.00 64.32 H new ATOM 0 HG22 THR A 92 -22.183 14.102 -22.536 1.00 64.32 H new ATOM 0 HG23 THR A 92 -23.943 14.054 -22.795 1.00 64.32 H new ATOM 1415 N GLU A 93 -23.301 14.624 -25.207 1.00 54.13 N ATOM 1416 CA GLU A 93 -24.162 15.694 -25.698 1.00 11.25 C ATOM 1417 C GLU A 93 -24.774 15.326 -27.046 1.00 70.40 C ATOM 1418 O GLU A 93 -25.921 15.667 -27.335 1.00 12.24 O ATOM 1419 CB GLU A 93 -23.371 16.998 -25.823 1.00 70.13 C ATOM 1420 CG GLU A 93 -24.095 18.206 -25.254 1.00 51.53 C ATOM 1421 CD GLU A 93 -25.514 18.334 -25.773 1.00 51.13 C ATOM 1422 OE1 GLU A 93 -25.690 18.834 -26.904 1.00 13.54 O ATOM 1423 OE2 GLU A 93 -26.449 17.933 -25.048 1.00 64.02 O ATOM 0 H GLU A 93 -22.360 14.923 -24.951 1.00 54.13 H new ATOM 0 HA GLU A 93 -24.969 15.834 -24.979 1.00 11.25 H new ATOM 0 HB2 GLU A 93 -22.415 16.884 -25.312 1.00 70.13 H new ATOM 0 HB3 GLU A 93 -23.150 17.180 -26.875 1.00 70.13 H new ATOM 0 HG2 GLU A 93 -24.115 18.134 -24.167 1.00 51.53 H new ATOM 0 HG3 GLU A 93 -23.538 19.109 -25.503 1.00 51.53 H new ATOM 1430 N LYS A 94 -24.000 14.627 -27.869 1.00 61.40 N ATOM 1431 CA LYS A 94 -24.463 14.210 -29.187 1.00 75.12 C ATOM 1432 C LYS A 94 -25.273 12.920 -29.097 1.00 13.54 C ATOM 1433 O LYS A 94 -26.089 12.625 -29.971 1.00 65.43 O ATOM 1434 CB LYS A 94 -23.274 14.013 -30.130 1.00 32.51 C ATOM 1435 CG LYS A 94 -22.363 15.224 -30.222 1.00 12.43 C ATOM 1436 CD LYS A 94 -22.455 15.889 -31.585 1.00 63.33 C ATOM 1437 CE LYS A 94 -23.804 16.560 -31.789 1.00 10.54 C ATOM 1438 NZ LYS A 94 -24.577 15.930 -32.894 1.00 64.35 N ATOM 0 H LYS A 94 -23.048 14.337 -27.646 1.00 61.40 H new ATOM 0 HA LYS A 94 -25.107 14.996 -29.583 1.00 75.12 H new ATOM 0 HB2 LYS A 94 -22.692 13.156 -29.792 1.00 32.51 H new ATOM 0 HB3 LYS A 94 -23.647 13.773 -31.126 1.00 32.51 H new ATOM 0 HG2 LYS A 94 -22.631 15.942 -29.447 1.00 12.43 H new ATOM 0 HG3 LYS A 94 -21.333 14.921 -30.033 1.00 12.43 H new ATOM 0 HD2 LYS A 94 -21.661 16.629 -31.684 1.00 63.33 H new ATOM 0 HD3 LYS A 94 -22.296 15.145 -32.365 1.00 63.33 H new ATOM 0 HE2 LYS A 94 -24.380 16.504 -30.865 1.00 10.54 H new ATOM 0 HE3 LYS A 94 -23.654 17.617 -32.008 1.00 10.54 H new ATOM 0 HZ1 LYS A 94 -25.490 16.417 -33.000 1.00 64.35 H new ATOM 0 HZ2 LYS A 94 -24.039 16.005 -33.781 1.00 64.35 H new ATOM 0 HZ3 LYS A 94 -24.743 14.927 -32.674 1.00 64.35 H new ATOM 1452 N LEU A 95 -25.045 12.157 -28.033 1.00 40.44 N ATOM 1453 CA LEU A 95 -25.755 10.900 -27.828 1.00 30.34 C ATOM 1454 C LEU A 95 -27.127 11.144 -27.207 1.00 3.12 C ATOM 1455 O LEU A 95 -28.032 10.319 -27.330 1.00 52.13 O ATOM 1456 CB LEU A 95 -24.935 9.969 -26.932 1.00 15.33 C ATOM 1457 CG LEU A 95 -25.157 8.471 -27.140 1.00 23.32 C ATOM 1458 CD1 LEU A 95 -24.818 8.074 -28.568 1.00 52.45 C ATOM 1459 CD2 LEU A 95 -24.326 7.667 -26.150 1.00 60.43 C ATOM 0 H LEU A 95 -24.374 12.387 -27.300 1.00 40.44 H new ATOM 0 HA LEU A 95 -25.896 10.428 -28.800 1.00 30.34 H new ATOM 0 HB2 LEU A 95 -23.878 10.185 -27.089 1.00 15.33 H new ATOM 0 HB3 LEU A 95 -25.158 10.208 -25.892 1.00 15.33 H new ATOM 0 HG LEU A 95 -26.210 8.251 -26.964 1.00 23.32 H new ATOM 0 HD11 LEU A 95 -24.982 7.004 -28.697 1.00 52.45 H new ATOM 0 HD12 LEU A 95 -25.455 8.625 -29.260 1.00 52.45 H new ATOM 0 HD13 LEU A 95 -23.773 8.308 -28.772 1.00 52.45 H new ATOM 0 HD21 LEU A 95 -24.496 6.603 -26.312 1.00 60.43 H new ATOM 0 HD22 LEU A 95 -23.269 7.892 -26.295 1.00 60.43 H new ATOM 0 HD23 LEU A 95 -24.617 7.930 -25.133 1.00 60.43 H new ATOM 1471 N LYS A 96 -27.274 12.284 -26.540 1.00 50.02 N ATOM 1472 CA LYS A 96 -28.536 12.640 -25.902 1.00 41.45 C ATOM 1473 C LYS A 96 -29.525 13.193 -26.924 1.00 3.22 C ATOM 1474 O LYS A 96 -30.728 12.949 -26.834 1.00 11.02 O ATOM 1475 CB LYS A 96 -28.299 13.671 -24.797 1.00 2.35 C ATOM 1476 CG LYS A 96 -27.710 13.078 -23.528 1.00 41.23 C ATOM 1477 CD LYS A 96 -28.602 13.335 -22.326 1.00 14.53 C ATOM 1478 CE LYS A 96 -28.148 12.537 -21.113 1.00 42.34 C ATOM 1479 NZ LYS A 96 -28.967 12.844 -19.908 1.00 74.14 N ATOM 0 H LYS A 96 -26.534 12.977 -26.427 1.00 50.02 H new ATOM 0 HA LYS A 96 -28.960 11.737 -25.463 1.00 41.45 H new ATOM 0 HB2 LYS A 96 -27.629 14.445 -25.171 1.00 2.35 H new ATOM 0 HB3 LYS A 96 -29.244 14.157 -24.556 1.00 2.35 H new ATOM 0 HG2 LYS A 96 -27.572 12.004 -23.657 1.00 41.23 H new ATOM 0 HG3 LYS A 96 -26.724 13.507 -23.349 1.00 41.23 H new ATOM 0 HD2 LYS A 96 -28.594 14.398 -22.087 1.00 14.53 H new ATOM 0 HD3 LYS A 96 -29.631 13.071 -22.572 1.00 14.53 H new ATOM 0 HE2 LYS A 96 -28.213 11.472 -21.334 1.00 42.34 H new ATOM 0 HE3 LYS A 96 -27.101 12.756 -20.906 1.00 42.34 H new ATOM 0 HZ1 LYS A 96 -28.626 12.280 -19.104 1.00 74.14 H new ATOM 0 HZ2 LYS A 96 -28.885 13.856 -19.681 1.00 74.14 H new ATOM 0 HZ3 LYS A 96 -29.963 12.611 -20.097 1.00 74.14 H new ATOM 1493 N LYS A 97 -29.010 13.938 -27.896 1.00 44.20 N ATOM 1494 CA LYS A 97 -29.846 14.524 -28.937 1.00 31.21 C ATOM 1495 C LYS A 97 -30.351 13.451 -29.897 1.00 11.24 C ATOM 1496 O LYS A 97 -31.249 13.699 -30.702 1.00 42.12 O ATOM 1497 CB LYS A 97 -29.064 15.588 -29.710 1.00 62.32 C ATOM 1498 CG LYS A 97 -29.638 16.987 -29.570 1.00 32.21 C ATOM 1499 CD LYS A 97 -30.730 17.247 -30.594 1.00 33.50 C ATOM 1500 CE LYS A 97 -32.079 16.734 -30.112 1.00 51.54 C ATOM 1501 NZ LYS A 97 -32.569 17.492 -28.927 1.00 60.35 N ATOM 0 H LYS A 97 -28.016 14.150 -27.985 1.00 44.20 H new ATOM 0 HA LYS A 97 -30.706 14.992 -28.457 1.00 31.21 H new ATOM 0 HB2 LYS A 97 -28.031 15.592 -29.362 1.00 62.32 H new ATOM 0 HB3 LYS A 97 -29.044 15.317 -30.765 1.00 62.32 H new ATOM 0 HG2 LYS A 97 -30.041 17.117 -28.566 1.00 32.21 H new ATOM 0 HG3 LYS A 97 -28.842 17.722 -29.691 1.00 32.21 H new ATOM 0 HD2 LYS A 97 -30.796 18.317 -30.793 1.00 33.50 H new ATOM 0 HD3 LYS A 97 -30.470 16.763 -31.535 1.00 33.50 H new ATOM 0 HE2 LYS A 97 -32.807 16.812 -30.920 1.00 51.54 H new ATOM 0 HE3 LYS A 97 -31.996 15.677 -29.858 1.00 51.54 H new ATOM 0 HZ1 LYS A 97 -33.606 17.433 -28.882 1.00 60.35 H new ATOM 0 HZ2 LYS A 97 -32.161 17.085 -28.061 1.00 60.35 H new ATOM 0 HZ3 LYS A 97 -32.282 18.488 -29.009 1.00 60.35 H new ATOM 1515 N ILE A 98 -29.770 12.260 -29.804 1.00 71.20 N ATOM 1516 CA ILE A 98 -30.164 11.150 -30.663 1.00 21.45 C ATOM 1517 C ILE A 98 -31.672 10.931 -30.621 1.00 55.25 C ATOM 1518 O ILE A 98 -32.258 10.391 -31.560 1.00 32.22 O ATOM 1519 CB ILE A 98 -29.456 9.844 -30.255 1.00 11.05 C ATOM 1520 CG1 ILE A 98 -29.475 8.844 -31.413 1.00 14.42 C ATOM 1521 CG2 ILE A 98 -30.117 9.247 -29.021 1.00 63.41 C ATOM 1522 CD1 ILE A 98 -28.143 8.709 -32.116 1.00 52.14 C ATOM 0 H ILE A 98 -29.025 12.039 -29.143 1.00 71.20 H new ATOM 0 HA ILE A 98 -29.866 11.415 -31.677 1.00 21.45 H new ATOM 0 HB ILE A 98 -28.418 10.071 -30.013 1.00 11.05 H new ATOM 0 HG12 ILE A 98 -29.778 7.868 -31.034 1.00 14.42 H new ATOM 0 HG13 ILE A 98 -30.229 9.153 -32.137 1.00 14.42 H new ATOM 0 HG21 ILE A 98 -29.606 8.325 -28.745 1.00 63.41 H new ATOM 0 HG22 ILE A 98 -30.056 9.957 -28.196 1.00 63.41 H new ATOM 0 HG23 ILE A 98 -31.163 9.031 -29.237 1.00 63.41 H new ATOM 0 HD11 ILE A 98 -28.231 7.984 -32.925 1.00 52.14 H new ATOM 0 HD12 ILE A 98 -27.848 9.675 -32.525 1.00 52.14 H new ATOM 0 HD13 ILE A 98 -27.389 8.370 -31.405 1.00 52.14 H new ATOM 1534 N VAL A 99 -32.297 11.357 -29.528 1.00 30.41 N ATOM 1535 CA VAL A 99 -33.739 11.210 -29.365 1.00 5.50 C ATOM 1536 C VAL A 99 -34.492 11.894 -30.500 1.00 40.23 C ATOM 1537 O VAL A 99 -35.652 11.581 -30.765 1.00 31.01 O ATOM 1538 CB VAL A 99 -34.214 11.796 -28.022 1.00 41.31 C ATOM 1539 CG1 VAL A 99 -34.523 13.279 -28.165 1.00 63.35 C ATOM 1540 CG2 VAL A 99 -35.429 11.037 -27.510 1.00 42.25 C ATOM 0 H VAL A 99 -31.828 11.807 -28.742 1.00 30.41 H new ATOM 0 HA VAL A 99 -33.953 10.141 -29.383 1.00 5.50 H new ATOM 0 HB VAL A 99 -33.411 11.686 -27.293 1.00 41.31 H new ATOM 0 HG11 VAL A 99 -34.857 13.675 -27.206 1.00 63.35 H new ATOM 0 HG12 VAL A 99 -33.625 13.809 -28.484 1.00 63.35 H new ATOM 0 HG13 VAL A 99 -35.309 13.417 -28.908 1.00 63.35 H new ATOM 0 HG21 VAL A 99 -35.751 11.464 -26.560 1.00 42.25 H new ATOM 0 HG22 VAL A 99 -36.239 11.114 -28.236 1.00 42.25 H new ATOM 0 HG23 VAL A 99 -35.169 9.988 -27.366 1.00 42.25 H new ATOM 1550 N GLU A 100 -33.824 12.829 -31.168 1.00 45.32 N ATOM 1551 CA GLU A 100 -34.431 13.558 -32.276 1.00 32.33 C ATOM 1552 C GLU A 100 -34.241 12.806 -33.590 1.00 54.53 C ATOM 1553 O GLU A 100 -34.950 13.053 -34.567 1.00 44.35 O ATOM 1554 CB GLU A 100 -33.828 14.960 -32.385 1.00 71.31 C ATOM 1555 CG GLU A 100 -34.200 15.684 -33.668 1.00 71.10 C ATOM 1556 CD GLU A 100 -34.317 17.184 -33.478 1.00 71.24 C ATOM 1557 OE1 GLU A 100 -34.775 17.612 -32.398 1.00 61.05 O ATOM 1558 OE2 GLU A 100 -33.950 17.929 -34.411 1.00 11.43 O ATOM 0 H GLU A 100 -32.862 13.100 -30.961 1.00 45.32 H new ATOM 0 HA GLU A 100 -35.499 13.645 -32.079 1.00 32.33 H new ATOM 0 HB2 GLU A 100 -34.157 15.555 -31.533 1.00 71.31 H new ATOM 0 HB3 GLU A 100 -32.742 14.885 -32.321 1.00 71.31 H new ATOM 0 HG2 GLU A 100 -33.449 15.475 -34.430 1.00 71.10 H new ATOM 0 HG3 GLU A 100 -35.147 15.294 -34.040 1.00 71.10 H new ATOM 1565 N LEU A 101 -33.281 11.889 -33.607 1.00 43.21 N ATOM 1566 CA LEU A 101 -32.996 11.101 -34.801 1.00 52.03 C ATOM 1567 C LEU A 101 -33.854 9.840 -34.839 1.00 1.32 C ATOM 1568 O LEU A 101 -34.742 9.707 -35.681 1.00 53.11 O ATOM 1569 CB LEU A 101 -31.514 10.725 -34.847 1.00 72.10 C ATOM 1570 CG LEU A 101 -30.718 11.275 -36.031 1.00 74.23 C ATOM 1571 CD1 LEU A 101 -30.769 12.795 -36.049 1.00 32.40 C ATOM 1572 CD2 LEU A 101 -29.278 10.788 -35.978 1.00 4.14 C ATOM 0 H LEU A 101 -32.686 11.672 -32.807 1.00 43.21 H new ATOM 0 HA LEU A 101 -33.237 11.709 -35.673 1.00 52.03 H new ATOM 0 HB2 LEU A 101 -31.043 11.071 -33.927 1.00 72.10 H new ATOM 0 HB3 LEU A 101 -31.436 9.638 -34.856 1.00 72.10 H new ATOM 0 HG LEU A 101 -31.171 10.906 -36.951 1.00 74.23 H new ATOM 0 HD11 LEU A 101 -30.197 13.168 -36.898 1.00 32.40 H new ATOM 0 HD12 LEU A 101 -31.805 13.123 -36.137 1.00 32.40 H new ATOM 0 HD13 LEU A 101 -30.342 13.184 -35.125 1.00 32.40 H new ATOM 0 HD21 LEU A 101 -28.727 11.189 -36.828 1.00 4.14 H new ATOM 0 HD22 LEU A 101 -28.813 11.126 -35.052 1.00 4.14 H new ATOM 0 HD23 LEU A 101 -29.261 9.699 -36.016 1.00 4.14 H new ATOM 1584 N ILE A 102 -33.583 8.919 -33.920 1.00 53.31 N ATOM 1585 CA ILE A 102 -34.333 7.671 -33.846 1.00 44.24 C ATOM 1586 C ILE A 102 -34.619 7.287 -32.399 1.00 21.41 C ATOM 1587 O ILE A 102 -34.013 6.371 -31.842 1.00 60.33 O ATOM 1588 CB ILE A 102 -33.575 6.519 -34.532 1.00 32.42 C ATOM 1589 CG1 ILE A 102 -33.239 6.889 -35.978 1.00 5.13 C ATOM 1590 CG2 ILE A 102 -34.400 5.241 -34.485 1.00 0.10 C ATOM 1591 CD1 ILE A 102 -31.832 7.416 -36.155 1.00 24.24 C ATOM 0 H ILE A 102 -32.850 9.013 -33.217 1.00 53.31 H new ATOM 0 HA ILE A 102 -35.276 7.837 -34.368 1.00 44.24 H new ATOM 0 HB ILE A 102 -32.642 6.347 -33.995 1.00 32.42 H new ATOM 0 HG12 ILE A 102 -33.372 6.011 -36.610 1.00 5.13 H new ATOM 0 HG13 ILE A 102 -33.947 7.641 -36.326 1.00 5.13 H new ATOM 0 HG21 ILE A 102 -33.852 4.436 -34.974 1.00 0.10 H new ATOM 0 HG22 ILE A 102 -34.593 4.971 -33.447 1.00 0.10 H new ATOM 0 HG23 ILE A 102 -35.347 5.400 -35.001 1.00 0.10 H new ATOM 0 HD11 ILE A 102 -31.663 7.658 -37.204 1.00 24.24 H new ATOM 0 HD12 ILE A 102 -31.701 8.313 -35.550 1.00 24.24 H new ATOM 0 HD13 ILE A 102 -31.117 6.657 -35.838 1.00 24.24 H new ATOM 1603 N PRO A 103 -35.566 8.001 -31.773 1.00 73.12 N ATOM 1604 CA PRO A 103 -35.957 7.751 -30.383 1.00 0.14 C ATOM 1605 C PRO A 103 -36.705 6.432 -30.218 1.00 43.35 C ATOM 1606 O PRO A 103 -37.935 6.405 -30.185 1.00 41.32 O ATOM 1607 CB PRO A 103 -36.875 8.931 -30.055 1.00 34.12 C ATOM 1608 CG PRO A 103 -37.419 9.365 -31.372 1.00 53.00 C ATOM 1609 CD PRO A 103 -36.329 9.107 -32.375 1.00 53.04 C ATOM 0 HA PRO A 103 -35.092 7.670 -29.725 1.00 0.14 H new ATOM 0 HB2 PRO A 103 -37.674 8.634 -29.375 1.00 34.12 H new ATOM 0 HB3 PRO A 103 -36.325 9.737 -29.569 1.00 34.12 H new ATOM 0 HG2 PRO A 103 -38.321 8.808 -31.624 1.00 53.00 H new ATOM 0 HG3 PRO A 103 -37.691 10.420 -31.353 1.00 53.00 H new ATOM 0 HD2 PRO A 103 -36.735 8.832 -33.348 1.00 53.04 H new ATOM 0 HD3 PRO A 103 -35.706 9.989 -32.527 1.00 53.04 H new ATOM 1617 N SER A 104 -35.954 5.340 -30.116 1.00 1.31 N ATOM 1618 CA SER A 104 -36.546 4.017 -29.959 1.00 14.24 C ATOM 1619 C SER A 104 -37.543 4.002 -28.803 1.00 41.14 C ATOM 1620 O SER A 104 -38.749 3.866 -29.010 1.00 14.44 O ATOM 1621 CB SER A 104 -35.455 2.972 -29.720 1.00 33.33 C ATOM 1622 OG SER A 104 -34.557 2.913 -30.814 1.00 60.20 O ATOM 0 H SER A 104 -34.934 5.346 -30.139 1.00 1.31 H new ATOM 0 HA SER A 104 -37.078 3.772 -30.878 1.00 14.24 H new ATOM 0 HB2 SER A 104 -34.908 3.215 -28.809 1.00 33.33 H new ATOM 0 HB3 SER A 104 -35.911 1.994 -29.567 1.00 33.33 H new ATOM 0 HG SER A 104 -33.868 2.239 -30.636 1.00 60.20 H new ATOM 1628 N THR A 105 -37.029 4.142 -27.585 1.00 53.42 N ATOM 1629 CA THR A 105 -37.872 4.144 -26.396 1.00 61.20 C ATOM 1630 C THR A 105 -37.362 5.141 -25.362 1.00 50.11 C ATOM 1631 O THR A 105 -36.174 5.163 -25.040 1.00 33.14 O ATOM 1632 CB THR A 105 -37.940 2.745 -25.754 1.00 4.31 C ATOM 1633 OG1 THR A 105 -36.783 2.524 -24.939 1.00 14.14 O ATOM 1634 CG2 THR A 105 -38.029 1.664 -26.820 1.00 41.02 C ATOM 0 H THR A 105 -36.033 4.255 -27.396 1.00 53.42 H new ATOM 0 HA THR A 105 -38.871 4.438 -26.717 1.00 61.20 H new ATOM 0 HB THR A 105 -38.836 2.697 -25.135 1.00 4.31 H new ATOM 0 HG1 THR A 105 -37.061 2.363 -24.013 1.00 14.14 H new ATOM 0 HG21 THR A 105 -38.076 0.685 -26.343 1.00 41.02 H new ATOM 0 HG22 THR A 105 -38.925 1.818 -27.421 1.00 41.02 H new ATOM 0 HG23 THR A 105 -37.149 1.713 -27.462 1.00 41.02 H new ATOM 1642 N SER A 106 -38.268 5.965 -24.845 1.00 4.31 N ATOM 1643 CA SER A 106 -37.908 6.968 -23.849 1.00 32.23 C ATOM 1644 C SER A 106 -37.785 6.338 -22.464 1.00 51.34 C ATOM 1645 O SER A 106 -37.385 6.997 -21.504 1.00 62.44 O ATOM 1646 CB SER A 106 -38.951 8.087 -23.822 1.00 1.05 C ATOM 1647 OG SER A 106 -38.436 9.248 -23.193 1.00 14.13 O ATOM 0 H SER A 106 -39.256 5.958 -25.099 1.00 4.31 H new ATOM 0 HA SER A 106 -36.941 7.389 -24.125 1.00 32.23 H new ATOM 0 HB2 SER A 106 -39.258 8.327 -24.840 1.00 1.05 H new ATOM 0 HB3 SER A 106 -39.841 7.747 -23.292 1.00 1.05 H new ATOM 0 HG SER A 106 -37.840 8.986 -22.461 1.00 14.13 H new ATOM 1653 N SER A 107 -38.132 5.059 -22.370 1.00 75.31 N ATOM 1654 CA SER A 107 -38.065 4.340 -21.103 1.00 73.22 C ATOM 1655 C SER A 107 -36.627 3.952 -20.775 1.00 21.44 C ATOM 1656 O SER A 107 -36.242 3.884 -19.608 1.00 2.22 O ATOM 1657 CB SER A 107 -38.944 3.088 -21.155 1.00 41.55 C ATOM 1658 OG SER A 107 -40.073 3.222 -20.310 1.00 1.45 O ATOM 0 H SER A 107 -38.462 4.499 -23.156 1.00 75.31 H new ATOM 0 HA SER A 107 -38.433 5.001 -20.318 1.00 73.22 H new ATOM 0 HB2 SER A 107 -39.272 2.912 -22.180 1.00 41.55 H new ATOM 0 HB3 SER A 107 -38.361 2.218 -20.853 1.00 41.55 H new ATOM 0 HG SER A 107 -40.619 2.410 -20.363 1.00 1.45 H new ATOM 1664 N ALA A 108 -35.837 3.697 -21.813 1.00 14.20 N ATOM 1665 CA ALA A 108 -34.441 3.318 -21.636 1.00 72.41 C ATOM 1666 C ALA A 108 -33.566 4.542 -21.393 1.00 42.54 C ATOM 1667 O ALA A 108 -32.435 4.426 -20.920 1.00 14.21 O ATOM 1668 CB ALA A 108 -33.946 2.545 -22.850 1.00 55.10 C ATOM 0 H ALA A 108 -36.141 3.746 -22.786 1.00 14.20 H new ATOM 0 HA ALA A 108 -34.373 2.676 -20.758 1.00 72.41 H new ATOM 0 HB1 ALA A 108 -32.902 2.268 -22.704 1.00 55.10 H new ATOM 0 HB2 ALA A 108 -34.546 1.644 -22.977 1.00 55.10 H new ATOM 0 HB3 ALA A 108 -34.035 3.169 -23.740 1.00 55.10 H new ATOM 1674 N VAL A 109 -34.095 5.717 -21.721 1.00 72.14 N ATOM 1675 CA VAL A 109 -33.362 6.964 -21.539 1.00 21.25 C ATOM 1676 C VAL A 109 -32.833 7.086 -20.114 1.00 1.30 C ATOM 1677 O VAL A 109 -31.633 7.231 -19.881 1.00 44.53 O ATOM 1678 CB VAL A 109 -34.245 8.186 -21.853 1.00 72.33 C ATOM 1679 CG1 VAL A 109 -33.847 9.370 -20.986 1.00 52.21 C ATOM 1680 CG2 VAL A 109 -34.155 8.541 -23.330 1.00 14.23 C ATOM 0 H VAL A 109 -35.029 5.831 -22.114 1.00 72.14 H new ATOM 0 HA VAL A 109 -32.524 6.943 -22.235 1.00 21.25 H new ATOM 0 HB VAL A 109 -35.281 7.933 -21.625 1.00 72.33 H new ATOM 0 HG11 VAL A 109 -34.482 10.224 -21.222 1.00 52.21 H new ATOM 0 HG12 VAL A 109 -33.968 9.108 -19.935 1.00 52.21 H new ATOM 0 HG13 VAL A 109 -32.806 9.628 -21.178 1.00 52.21 H new ATOM 0 HG21 VAL A 109 -34.785 9.407 -23.535 1.00 14.23 H new ATOM 0 HG22 VAL A 109 -33.122 8.775 -23.586 1.00 14.23 H new ATOM 0 HG23 VAL A 109 -34.494 7.696 -23.929 1.00 14.23 H new ATOM 1690 N PRO A 110 -33.748 7.026 -19.136 1.00 15.44 N ATOM 1691 CA PRO A 110 -33.398 7.127 -17.716 1.00 3.41 C ATOM 1692 C PRO A 110 -32.641 5.901 -17.217 1.00 33.00 C ATOM 1693 O PRO A 110 -31.913 5.969 -16.226 1.00 30.31 O ATOM 1694 CB PRO A 110 -34.757 7.236 -17.021 1.00 55.14 C ATOM 1695 CG PRO A 110 -35.714 6.578 -17.955 1.00 65.04 C ATOM 1696 CD PRO A 110 -35.197 6.855 -19.340 1.00 63.21 C ATOM 0 HA PRO A 110 -32.735 7.970 -17.519 1.00 3.41 H new ATOM 0 HB2 PRO A 110 -34.746 6.740 -16.051 1.00 55.14 H new ATOM 0 HB3 PRO A 110 -35.029 8.277 -16.844 1.00 55.14 H new ATOM 0 HG2 PRO A 110 -35.769 5.506 -17.766 1.00 65.04 H new ATOM 0 HG3 PRO A 110 -36.721 6.976 -17.827 1.00 65.04 H new ATOM 0 HD2 PRO A 110 -35.412 6.032 -20.021 1.00 63.21 H new ATOM 0 HD3 PRO A 110 -35.651 7.749 -19.767 1.00 63.21 H new ATOM 1704 N LEU A 111 -32.818 4.781 -17.909 1.00 64.12 N ATOM 1705 CA LEU A 111 -32.151 3.538 -17.536 1.00 41.13 C ATOM 1706 C LEU A 111 -30.668 3.589 -17.888 1.00 44.11 C ATOM 1707 O LEU A 111 -29.808 3.436 -17.020 1.00 32.43 O ATOM 1708 CB LEU A 111 -32.813 2.351 -18.238 1.00 64.12 C ATOM 1709 CG LEU A 111 -33.010 1.094 -17.390 1.00 2.35 C ATOM 1710 CD1 LEU A 111 -33.906 0.099 -18.110 1.00 31.02 C ATOM 1711 CD2 LEU A 111 -31.667 0.461 -17.055 1.00 33.23 C ATOM 0 H LEU A 111 -33.417 4.708 -18.731 1.00 64.12 H new ATOM 0 HA LEU A 111 -32.245 3.413 -16.457 1.00 41.13 H new ATOM 0 HB2 LEU A 111 -33.787 2.671 -18.609 1.00 64.12 H new ATOM 0 HB3 LEU A 111 -32.211 2.087 -19.108 1.00 64.12 H new ATOM 0 HG LEU A 111 -33.497 1.380 -16.458 1.00 2.35 H new ATOM 0 HD11 LEU A 111 -34.035 -0.789 -17.491 1.00 31.02 H new ATOM 0 HD12 LEU A 111 -34.878 0.554 -18.298 1.00 31.02 H new ATOM 0 HD13 LEU A 111 -33.448 -0.183 -19.058 1.00 31.02 H new ATOM 0 HD21 LEU A 111 -31.826 -0.432 -16.451 1.00 33.23 H new ATOM 0 HD22 LEU A 111 -31.153 0.189 -17.977 1.00 33.23 H new ATOM 0 HD23 LEU A 111 -31.059 1.173 -16.497 1.00 33.23 H new ATOM 1723 N ILE A 112 -30.375 3.808 -19.166 1.00 30.33 N ATOM 1724 CA ILE A 112 -28.996 3.883 -19.631 1.00 23.50 C ATOM 1725 C ILE A 112 -28.217 4.951 -18.872 1.00 42.40 C ATOM 1726 O ILE A 112 -26.993 4.884 -18.765 1.00 11.02 O ATOM 1727 CB ILE A 112 -28.926 4.186 -21.139 1.00 51.32 C ATOM 1728 CG1 ILE A 112 -27.623 3.645 -21.731 1.00 74.52 C ATOM 1729 CG2 ILE A 112 -29.043 5.683 -21.384 1.00 12.31 C ATOM 1730 CD1 ILE A 112 -27.836 2.642 -22.843 1.00 72.53 C ATOM 0 H ILE A 112 -31.074 3.936 -19.897 1.00 30.33 H new ATOM 0 HA ILE A 112 -28.547 2.908 -19.444 1.00 23.50 H new ATOM 0 HB ILE A 112 -29.761 3.689 -21.633 1.00 51.32 H new ATOM 0 HG12 ILE A 112 -27.033 4.478 -22.112 1.00 74.52 H new ATOM 0 HG13 ILE A 112 -27.039 3.178 -20.938 1.00 74.52 H new ATOM 0 HG21 ILE A 112 -28.992 5.882 -22.455 1.00 12.31 H new ATOM 0 HG22 ILE A 112 -29.995 6.042 -20.993 1.00 12.31 H new ATOM 0 HG23 ILE A 112 -28.226 6.199 -20.880 1.00 12.31 H new ATOM 0 HD11 ILE A 112 -26.870 2.301 -23.215 1.00 72.53 H new ATOM 0 HD12 ILE A 112 -28.399 1.790 -22.462 1.00 72.53 H new ATOM 0 HD13 ILE A 112 -28.393 3.111 -23.654 1.00 72.53 H new ATOM 1742 N GLY A 113 -28.936 5.938 -18.345 1.00 22.23 N ATOM 1743 CA GLY A 113 -28.296 7.006 -17.600 1.00 44.53 C ATOM 1744 C GLY A 113 -27.404 6.486 -16.491 1.00 5.54 C ATOM 1745 O GLY A 113 -26.392 7.103 -16.156 1.00 42.22 O ATOM 0 H GLY A 113 -29.950 6.017 -18.421 1.00 22.23 H new ATOM 0 HA2 GLY A 113 -27.704 7.616 -18.282 1.00 44.53 H new ATOM 0 HA3 GLY A 113 -29.060 7.655 -17.173 1.00 44.53 H new ATOM 1749 N LYS A 114 -27.779 5.349 -15.916 1.00 61.30 N ATOM 1750 CA LYS A 114 -27.007 4.745 -14.837 1.00 24.13 C ATOM 1751 C LYS A 114 -25.860 3.906 -15.392 1.00 3.24 C ATOM 1752 O LYS A 114 -24.793 3.816 -14.783 1.00 71.32 O ATOM 1753 CB LYS A 114 -27.910 3.875 -13.960 1.00 14.53 C ATOM 1754 CG LYS A 114 -27.153 3.058 -12.928 1.00 3.33 C ATOM 1755 CD LYS A 114 -28.094 2.219 -12.080 1.00 53.12 C ATOM 1756 CE LYS A 114 -28.271 0.824 -12.659 1.00 22.41 C ATOM 1757 NZ LYS A 114 -29.042 -0.063 -11.744 1.00 5.03 N ATOM 0 H LYS A 114 -28.614 4.826 -16.180 1.00 61.30 H new ATOM 0 HA LYS A 114 -26.587 5.548 -14.231 1.00 24.13 H new ATOM 0 HB2 LYS A 114 -28.630 4.514 -13.448 1.00 14.53 H new ATOM 0 HB3 LYS A 114 -28.480 3.200 -14.598 1.00 14.53 H new ATOM 0 HG2 LYS A 114 -26.438 2.407 -13.431 1.00 3.33 H new ATOM 0 HG3 LYS A 114 -26.579 3.725 -12.285 1.00 3.33 H new ATOM 0 HD2 LYS A 114 -27.704 2.146 -11.065 1.00 53.12 H new ATOM 0 HD3 LYS A 114 -29.064 2.712 -12.014 1.00 53.12 H new ATOM 0 HE2 LYS A 114 -28.785 0.891 -13.618 1.00 22.41 H new ATOM 0 HE3 LYS A 114 -27.293 0.384 -12.852 1.00 22.41 H new ATOM 0 HZ1 LYS A 114 -29.141 -1.004 -12.175 1.00 5.03 H new ATOM 0 HZ2 LYS A 114 -28.539 -0.148 -10.838 1.00 5.03 H new ATOM 0 HZ3 LYS A 114 -29.985 0.343 -11.580 1.00 5.03 H new ATOM 1771 N TYR A 115 -26.086 3.296 -16.550 1.00 24.04 N ATOM 1772 CA TYR A 115 -25.071 2.464 -17.186 1.00 12.01 C ATOM 1773 C TYR A 115 -23.965 3.322 -17.792 1.00 60.15 C ATOM 1774 O TYR A 115 -22.814 2.896 -17.884 1.00 40.31 O ATOM 1775 CB TYR A 115 -25.705 1.589 -18.269 1.00 22.14 C ATOM 1776 CG TYR A 115 -26.388 0.354 -17.726 1.00 14.21 C ATOM 1777 CD1 TYR A 115 -25.650 -0.699 -17.201 1.00 61.11 C ATOM 1778 CD2 TYR A 115 -27.773 0.242 -17.737 1.00 73.52 C ATOM 1779 CE1 TYR A 115 -26.270 -1.829 -16.705 1.00 73.21 C ATOM 1780 CE2 TYR A 115 -28.402 -0.884 -17.242 1.00 35.31 C ATOM 1781 CZ TYR A 115 -27.647 -1.917 -16.727 1.00 63.04 C ATOM 1782 OH TYR A 115 -28.269 -3.041 -16.233 1.00 4.41 O ATOM 0 H TYR A 115 -26.963 3.362 -17.067 1.00 24.04 H new ATOM 0 HA TYR A 115 -24.631 1.823 -16.422 1.00 12.01 H new ATOM 0 HB2 TYR A 115 -26.432 2.182 -18.824 1.00 22.14 H new ATOM 0 HB3 TYR A 115 -24.934 1.286 -18.977 1.00 22.14 H new ATOM 0 HD1 TYR A 115 -24.572 -0.633 -17.180 1.00 61.11 H new ATOM 0 HD2 TYR A 115 -28.368 1.049 -18.139 1.00 73.52 H new ATOM 0 HE1 TYR A 115 -25.680 -2.639 -16.302 1.00 73.21 H new ATOM 0 HE2 TYR A 115 -29.480 -0.955 -17.258 1.00 35.31 H new ATOM 0 HH TYR A 115 -29.240 -2.943 -16.322 1.00 4.41 H new ATOM 1792 N MET A 116 -24.324 4.533 -18.205 1.00 4.42 N ATOM 1793 CA MET A 116 -23.362 5.453 -18.801 1.00 42.13 C ATOM 1794 C MET A 116 -22.330 5.903 -17.772 1.00 42.31 C ATOM 1795 O MET A 116 -21.124 5.778 -17.991 1.00 52.02 O ATOM 1796 CB MET A 116 -24.082 6.670 -19.385 1.00 1.22 C ATOM 1797 CG MET A 116 -24.148 6.667 -20.903 1.00 71.25 C ATOM 1798 SD MET A 116 -25.627 7.482 -21.536 1.00 43.01 S ATOM 1799 CE MET A 116 -25.287 9.185 -21.099 1.00 14.50 C ATOM 0 H MET A 116 -25.273 4.900 -18.138 1.00 4.42 H new ATOM 0 HA MET A 116 -22.843 4.928 -19.603 1.00 42.13 H new ATOM 0 HB2 MET A 116 -25.095 6.708 -18.986 1.00 1.22 H new ATOM 0 HB3 MET A 116 -23.574 7.576 -19.053 1.00 1.22 H new ATOM 0 HG2 MET A 116 -23.264 7.165 -21.302 1.00 71.25 H new ATOM 0 HG3 MET A 116 -24.123 5.638 -21.262 1.00 71.25 H new ATOM 0 HE1 MET A 116 -25.861 9.848 -21.746 1.00 14.50 H new ATOM 0 HE2 MET A 116 -25.570 9.358 -20.061 1.00 14.50 H new ATOM 0 HE3 MET A 116 -24.223 9.387 -21.224 1.00 14.50 H new ATOM 1809 N LEU A 117 -22.810 6.428 -16.650 1.00 61.21 N ATOM 1810 CA LEU A 117 -21.928 6.897 -15.587 1.00 15.34 C ATOM 1811 C LEU A 117 -21.007 5.779 -15.110 1.00 44.41 C ATOM 1812 O LEU A 117 -19.914 6.035 -14.604 1.00 0.14 O ATOM 1813 CB LEU A 117 -22.752 7.430 -14.413 1.00 20.03 C ATOM 1814 CG LEU A 117 -22.336 8.796 -13.866 1.00 50.11 C ATOM 1815 CD1 LEU A 117 -23.316 9.870 -14.312 1.00 10.33 C ATOM 1816 CD2 LEU A 117 -22.239 8.756 -12.348 1.00 15.30 C ATOM 0 H LEU A 117 -23.805 6.540 -16.453 1.00 61.21 H new ATOM 0 HA LEU A 117 -21.313 7.703 -15.988 1.00 15.34 H new ATOM 0 HB2 LEU A 117 -23.795 7.488 -14.724 1.00 20.03 H new ATOM 0 HB3 LEU A 117 -22.701 6.705 -13.601 1.00 20.03 H new ATOM 0 HG LEU A 117 -21.352 9.042 -14.266 1.00 50.11 H new ATOM 0 HD11 LEU A 117 -23.004 10.835 -13.913 1.00 10.33 H new ATOM 0 HD12 LEU A 117 -23.335 9.916 -15.401 1.00 10.33 H new ATOM 0 HD13 LEU A 117 -24.313 9.630 -13.942 1.00 10.33 H new ATOM 0 HD21 LEU A 117 -21.942 9.737 -11.976 1.00 15.30 H new ATOM 0 HD22 LEU A 117 -23.209 8.487 -11.928 1.00 15.30 H new ATOM 0 HD23 LEU A 117 -21.497 8.015 -12.050 1.00 15.30 H new ATOM 1828 N PHE A 118 -21.453 4.539 -15.278 1.00 14.22 N ATOM 1829 CA PHE A 118 -20.668 3.381 -14.866 1.00 52.50 C ATOM 1830 C PHE A 118 -19.268 3.431 -15.471 1.00 32.12 C ATOM 1831 O PHE A 118 -18.284 3.083 -14.818 1.00 22.24 O ATOM 1832 CB PHE A 118 -21.371 2.088 -15.283 1.00 23.31 C ATOM 1833 CG PHE A 118 -21.168 0.957 -14.315 1.00 61.24 C ATOM 1834 CD1 PHE A 118 -19.911 0.405 -14.128 1.00 62.34 C ATOM 1835 CD2 PHE A 118 -22.234 0.446 -13.593 1.00 0.34 C ATOM 1836 CE1 PHE A 118 -19.722 -0.636 -13.239 1.00 62.44 C ATOM 1837 CE2 PHE A 118 -22.051 -0.595 -12.702 1.00 2.53 C ATOM 1838 CZ PHE A 118 -20.793 -1.136 -12.524 1.00 43.22 C ATOM 0 H PHE A 118 -22.354 4.310 -15.697 1.00 14.22 H new ATOM 0 HA PHE A 118 -20.576 3.402 -13.780 1.00 52.50 H new ATOM 0 HB2 PHE A 118 -22.439 2.281 -15.385 1.00 23.31 H new ATOM 0 HB3 PHE A 118 -21.006 1.786 -16.265 1.00 23.31 H new ATOM 0 HD1 PHE A 118 -19.070 0.793 -14.683 1.00 62.34 H new ATOM 0 HD2 PHE A 118 -23.220 0.866 -13.728 1.00 0.34 H new ATOM 0 HE1 PHE A 118 -18.737 -1.058 -13.103 1.00 62.44 H new ATOM 0 HE2 PHE A 118 -22.891 -0.985 -12.146 1.00 2.53 H new ATOM 0 HZ PHE A 118 -20.647 -1.948 -11.827 1.00 43.22 H new ATOM 1848 N THR A 119 -19.186 3.866 -16.725 1.00 35.45 N ATOM 1849 CA THR A 119 -17.909 3.959 -17.419 1.00 43.32 C ATOM 1850 C THR A 119 -17.066 5.103 -16.868 1.00 4.33 C ATOM 1851 O THR A 119 -15.868 4.946 -16.627 1.00 14.31 O ATOM 1852 CB THR A 119 -18.106 4.166 -18.933 1.00 31.41 C ATOM 1853 OG1 THR A 119 -19.034 3.201 -19.442 1.00 11.21 O ATOM 1854 CG2 THR A 119 -16.783 4.043 -19.673 1.00 4.02 C ATOM 0 H THR A 119 -19.990 4.159 -17.280 1.00 35.45 H new ATOM 0 HA THR A 119 -17.390 3.015 -17.253 1.00 43.32 H new ATOM 0 HB THR A 119 -18.501 5.169 -19.092 1.00 31.41 H new ATOM 0 HG1 THR A 119 -19.155 3.340 -20.404 1.00 11.21 H new ATOM 0 HG21 THR A 119 -16.948 4.193 -20.740 1.00 4.02 H new ATOM 0 HG22 THR A 119 -16.088 4.797 -19.304 1.00 4.02 H new ATOM 0 HG23 THR A 119 -16.364 3.051 -19.506 1.00 4.02 H new ATOM 1862 N LYS A 120 -17.697 6.255 -16.668 1.00 55.14 N ATOM 1863 CA LYS A 120 -17.006 7.426 -16.143 1.00 14.51 C ATOM 1864 C LYS A 120 -16.548 7.189 -14.707 1.00 52.45 C ATOM 1865 O LYS A 120 -15.596 7.813 -14.240 1.00 20.00 O ATOM 1866 CB LYS A 120 -17.920 8.652 -16.202 1.00 15.52 C ATOM 1867 CG LYS A 120 -18.493 8.919 -17.583 1.00 63.24 C ATOM 1868 CD LYS A 120 -19.581 9.979 -17.542 1.00 24.24 C ATOM 1869 CE LYS A 120 -19.017 11.366 -17.808 1.00 13.33 C ATOM 1870 NZ LYS A 120 -20.085 12.336 -18.178 1.00 45.53 N ATOM 0 H LYS A 120 -18.687 6.402 -16.862 1.00 55.14 H new ATOM 0 HA LYS A 120 -16.127 7.606 -16.761 1.00 14.51 H new ATOM 0 HB2 LYS A 120 -18.741 8.517 -15.497 1.00 15.52 H new ATOM 0 HB3 LYS A 120 -17.360 9.528 -15.875 1.00 15.52 H new ATOM 0 HG2 LYS A 120 -17.695 9.241 -18.252 1.00 63.24 H new ATOM 0 HG3 LYS A 120 -18.900 7.995 -17.994 1.00 63.24 H new ATOM 0 HD2 LYS A 120 -20.345 9.747 -18.284 1.00 24.24 H new ATOM 0 HD3 LYS A 120 -20.069 9.964 -16.567 1.00 24.24 H new ATOM 0 HE2 LYS A 120 -18.494 11.722 -16.920 1.00 13.33 H new ATOM 0 HE3 LYS A 120 -18.282 11.312 -18.611 1.00 13.33 H new ATOM 0 HZ1 LYS A 120 -19.661 13.270 -18.351 1.00 45.53 H new ATOM 0 HZ2 LYS A 120 -20.567 12.009 -19.039 1.00 45.53 H new ATOM 0 HZ3 LYS A 120 -20.773 12.407 -17.402 1.00 45.53 H new ATOM 1884 N GLU A 121 -17.232 6.284 -14.015 1.00 25.43 N ATOM 1885 CA GLU A 121 -16.893 5.965 -12.633 1.00 22.13 C ATOM 1886 C GLU A 121 -15.644 5.090 -12.566 1.00 52.05 C ATOM 1887 O GLU A 121 -14.873 5.161 -11.609 1.00 70.23 O ATOM 1888 CB GLU A 121 -18.063 5.255 -11.948 1.00 41.51 C ATOM 1889 CG GLU A 121 -18.404 5.825 -10.581 1.00 72.42 C ATOM 1890 CD GLU A 121 -19.348 4.934 -9.797 1.00 74.25 C ATOM 1891 OE1 GLU A 121 -20.284 4.377 -10.410 1.00 44.23 O ATOM 1892 OE2 GLU A 121 -19.153 4.793 -8.572 1.00 43.43 O ATOM 0 H GLU A 121 -18.023 5.759 -14.388 1.00 25.43 H new ATOM 0 HA GLU A 121 -16.689 6.900 -12.112 1.00 22.13 H new ATOM 0 HB2 GLU A 121 -18.942 5.320 -12.589 1.00 41.51 H new ATOM 0 HB3 GLU A 121 -17.823 4.197 -11.842 1.00 41.51 H new ATOM 0 HG2 GLU A 121 -17.486 5.966 -10.011 1.00 72.42 H new ATOM 0 HG3 GLU A 121 -18.857 6.809 -10.704 1.00 72.42 H new ATOM 1899 N PHE A 122 -15.452 4.265 -13.590 1.00 72.22 N ATOM 1900 CA PHE A 122 -14.299 3.375 -13.649 1.00 22.54 C ATOM 1901 C PHE A 122 -13.016 4.162 -13.903 1.00 35.42 C ATOM 1902 O PHE A 122 -12.029 4.011 -13.183 1.00 60.43 O ATOM 1903 CB PHE A 122 -14.493 2.325 -14.745 1.00 45.44 C ATOM 1904 CG PHE A 122 -14.419 0.912 -14.243 1.00 35.03 C ATOM 1905 CD1 PHE A 122 -13.194 0.294 -14.049 1.00 15.23 C ATOM 1906 CD2 PHE A 122 -15.576 0.201 -13.964 1.00 4.35 C ATOM 1907 CE1 PHE A 122 -13.125 -1.007 -13.587 1.00 4.41 C ATOM 1908 CE2 PHE A 122 -15.512 -1.100 -13.501 1.00 41.21 C ATOM 1909 CZ PHE A 122 -14.285 -1.704 -13.312 1.00 4.04 C ATOM 0 H PHE A 122 -16.080 4.195 -14.390 1.00 72.22 H new ATOM 0 HA PHE A 122 -14.211 2.872 -12.686 1.00 22.54 H new ATOM 0 HB2 PHE A 122 -15.461 2.483 -15.220 1.00 45.44 H new ATOM 0 HB3 PHE A 122 -13.733 2.469 -15.513 1.00 45.44 H new ATOM 0 HD1 PHE A 122 -12.283 0.835 -14.261 1.00 15.23 H new ATOM 0 HD2 PHE A 122 -16.538 0.669 -14.110 1.00 4.35 H new ATOM 0 HE1 PHE A 122 -12.164 -1.478 -13.441 1.00 4.41 H new ATOM 0 HE2 PHE A 122 -16.421 -1.643 -13.287 1.00 41.21 H new ATOM 0 HZ PHE A 122 -14.232 -2.720 -12.950 1.00 4.04 H new ATOM 1919 N VAL A 123 -13.039 5.002 -14.932 1.00 54.14 N ATOM 1920 CA VAL A 123 -11.880 5.814 -15.282 1.00 60.14 C ATOM 1921 C VAL A 123 -11.456 6.699 -14.116 1.00 32.14 C ATOM 1922 O VAL A 123 -10.306 7.128 -14.036 1.00 23.34 O ATOM 1923 CB VAL A 123 -12.166 6.701 -16.508 1.00 42.53 C ATOM 1924 CG1 VAL A 123 -13.393 7.568 -16.266 1.00 64.54 C ATOM 1925 CG2 VAL A 123 -10.954 7.560 -16.838 1.00 61.34 C ATOM 0 H VAL A 123 -13.848 5.138 -15.538 1.00 54.14 H new ATOM 0 HA VAL A 123 -11.071 5.124 -15.523 1.00 60.14 H new ATOM 0 HB VAL A 123 -12.369 6.055 -17.362 1.00 42.53 H new ATOM 0 HG11 VAL A 123 -13.579 8.188 -17.143 1.00 64.54 H new ATOM 0 HG12 VAL A 123 -14.258 6.931 -16.081 1.00 64.54 H new ATOM 0 HG13 VAL A 123 -13.222 8.207 -15.400 1.00 64.54 H new ATOM 0 HG21 VAL A 123 -11.174 8.180 -17.707 1.00 61.34 H new ATOM 0 HG22 VAL A 123 -10.718 8.198 -15.987 1.00 61.34 H new ATOM 0 HG23 VAL A 123 -10.101 6.917 -17.057 1.00 61.34 H new ATOM 1935 N GLU A 124 -12.394 6.968 -13.213 1.00 32.33 N ATOM 1936 CA GLU A 124 -12.117 7.802 -12.050 1.00 11.44 C ATOM 1937 C GLU A 124 -11.112 7.126 -11.122 1.00 10.14 C ATOM 1938 O GLU A 124 -10.473 7.781 -10.298 1.00 43.15 O ATOM 1939 CB GLU A 124 -13.410 8.101 -11.288 1.00 74.43 C ATOM 1940 CG GLU A 124 -13.646 9.582 -11.046 1.00 32.14 C ATOM 1941 CD GLU A 124 -13.542 9.957 -9.580 1.00 34.41 C ATOM 1942 OE1 GLU A 124 -12.581 9.511 -8.920 1.00 31.15 O ATOM 1943 OE2 GLU A 124 -14.423 10.696 -9.094 1.00 14.44 O ATOM 0 H GLU A 124 -13.352 6.621 -13.265 1.00 32.33 H new ATOM 0 HA GLU A 124 -11.687 8.739 -12.403 1.00 11.44 H new ATOM 0 HB2 GLU A 124 -14.253 7.694 -11.846 1.00 74.43 H new ATOM 0 HB3 GLU A 124 -13.384 7.584 -10.329 1.00 74.43 H new ATOM 0 HG2 GLU A 124 -12.920 10.160 -11.618 1.00 32.14 H new ATOM 0 HG3 GLU A 124 -14.634 9.854 -11.418 1.00 32.14 H new ATOM 1950 N SER A 125 -10.979 5.811 -11.261 1.00 21.02 N ATOM 1951 CA SER A 125 -10.055 5.044 -10.433 1.00 14.33 C ATOM 1952 C SER A 125 -8.619 5.222 -10.914 1.00 63.53 C ATOM 1953 O SER A 125 -7.713 5.475 -10.120 1.00 61.41 O ATOM 1954 CB SER A 125 -10.432 3.562 -10.450 1.00 70.44 C ATOM 1955 OG SER A 125 -11.822 3.391 -10.667 1.00 60.11 O ATOM 0 H SER A 125 -11.499 5.254 -11.939 1.00 21.02 H new ATOM 0 HA SER A 125 -10.126 5.417 -9.411 1.00 14.33 H new ATOM 0 HB2 SER A 125 -9.873 3.050 -11.234 1.00 70.44 H new ATOM 0 HB3 SER A 125 -10.149 3.101 -9.504 1.00 70.44 H new ATOM 0 HG SER A 125 -11.986 3.220 -11.618 1.00 60.11 H new ATOM 1961 N SER A 126 -8.418 5.086 -12.221 1.00 54.44 N ATOM 1962 CA SER A 126 -7.092 5.228 -12.810 1.00 62.41 C ATOM 1963 C SER A 126 -6.500 6.598 -12.494 1.00 31.33 C ATOM 1964 O SER A 126 -5.294 6.731 -12.283 1.00 13.33 O ATOM 1965 CB SER A 126 -7.159 5.026 -14.325 1.00 61.11 C ATOM 1966 OG SER A 126 -7.697 6.168 -14.968 1.00 42.33 O ATOM 0 H SER A 126 -9.157 4.878 -12.892 1.00 54.44 H new ATOM 0 HA SER A 126 -6.446 4.464 -12.377 1.00 62.41 H new ATOM 0 HB2 SER A 126 -6.161 4.823 -14.713 1.00 61.11 H new ATOM 0 HB3 SER A 126 -7.772 4.154 -14.552 1.00 61.11 H new ATOM 0 HG SER A 126 -8.566 6.388 -14.571 1.00 42.33 H new ATOM 1972 N ILE A 127 -7.357 7.612 -12.463 1.00 13.52 N ATOM 1973 CA ILE A 127 -6.920 8.972 -12.171 1.00 55.24 C ATOM 1974 C ILE A 127 -6.715 9.174 -10.674 1.00 44.51 C ATOM 1975 O ILE A 127 -5.955 10.047 -10.253 1.00 12.15 O ATOM 1976 CB ILE A 127 -7.935 10.011 -12.684 1.00 11.43 C ATOM 1977 CG1 ILE A 127 -9.264 9.868 -11.940 1.00 14.44 C ATOM 1978 CG2 ILE A 127 -8.142 9.856 -14.183 1.00 23.31 C ATOM 1979 CD1 ILE A 127 -10.284 10.920 -12.317 1.00 32.02 C ATOM 0 H ILE A 127 -8.358 7.518 -12.636 1.00 13.52 H new ATOM 0 HA ILE A 127 -5.971 9.117 -12.688 1.00 55.24 H new ATOM 0 HB ILE A 127 -7.538 11.008 -12.494 1.00 11.43 H new ATOM 0 HG12 ILE A 127 -9.680 8.881 -12.142 1.00 14.44 H new ATOM 0 HG13 ILE A 127 -9.078 9.922 -10.867 1.00 14.44 H new ATOM 0 HG21 ILE A 127 -8.862 10.597 -14.529 1.00 23.31 H new ATOM 0 HG22 ILE A 127 -7.193 10.003 -14.698 1.00 23.31 H new ATOM 0 HG23 ILE A 127 -8.520 8.856 -14.397 1.00 23.31 H new ATOM 0 HD11 ILE A 127 -11.201 10.757 -11.751 1.00 32.02 H new ATOM 0 HD12 ILE A 127 -9.888 11.909 -12.089 1.00 32.02 H new ATOM 0 HD13 ILE A 127 -10.499 10.853 -13.383 1.00 32.02 H new ATOM 1991 N LYS A 128 -7.395 8.361 -9.874 1.00 22.23 N ATOM 1992 CA LYS A 128 -7.285 8.447 -8.422 1.00 74.33 C ATOM 1993 C LYS A 128 -6.054 7.698 -7.924 1.00 65.43 C ATOM 1994 O LYS A 128 -5.475 8.051 -6.896 1.00 65.45 O ATOM 1995 CB LYS A 128 -8.543 7.878 -7.761 1.00 0.41 C ATOM 1996 CG LYS A 128 -8.575 8.064 -6.254 1.00 5.42 C ATOM 1997 CD LYS A 128 -9.226 9.382 -5.868 1.00 60.11 C ATOM 1998 CE LYS A 128 -10.183 9.209 -4.699 1.00 13.12 C ATOM 1999 NZ LYS A 128 -11.007 10.429 -4.471 1.00 63.22 N ATOM 0 H LYS A 128 -8.029 7.634 -10.206 1.00 22.23 H new ATOM 0 HA LYS A 128 -7.183 9.498 -8.152 1.00 74.33 H new ATOM 0 HB2 LYS A 128 -9.420 8.356 -8.196 1.00 0.41 H new ATOM 0 HB3 LYS A 128 -8.614 6.814 -7.989 1.00 0.41 H new ATOM 0 HG2 LYS A 128 -9.122 7.239 -5.796 1.00 5.42 H new ATOM 0 HG3 LYS A 128 -7.559 8.030 -5.861 1.00 5.42 H new ATOM 0 HD2 LYS A 128 -8.455 10.106 -5.605 1.00 60.11 H new ATOM 0 HD3 LYS A 128 -9.765 9.787 -6.724 1.00 60.11 H new ATOM 0 HE2 LYS A 128 -10.838 8.359 -4.889 1.00 13.12 H new ATOM 0 HE3 LYS A 128 -9.616 8.980 -3.797 1.00 13.12 H new ATOM 0 HZ1 LYS A 128 -11.646 10.271 -3.666 1.00 63.22 H new ATOM 0 HZ2 LYS A 128 -10.384 11.235 -4.265 1.00 63.22 H new ATOM 0 HZ3 LYS A 128 -11.567 10.634 -5.323 1.00 63.22 H new ATOM 2013 N ILE A 129 -5.658 6.664 -8.660 1.00 21.05 N ATOM 2014 CA ILE A 129 -4.493 5.868 -8.293 1.00 73.30 C ATOM 2015 C ILE A 129 -3.215 6.695 -8.371 1.00 1.30 C ATOM 2016 O ILE A 129 -2.297 6.518 -7.570 1.00 24.23 O ATOM 2017 CB ILE A 129 -4.348 4.632 -9.201 1.00 3.21 C ATOM 2018 CG1 ILE A 129 -5.409 3.587 -8.850 1.00 63.14 C ATOM 2019 CG2 ILE A 129 -2.952 4.042 -9.072 1.00 24.41 C ATOM 2020 CD1 ILE A 129 -5.529 2.481 -9.875 1.00 70.14 C ATOM 0 H ILE A 129 -6.126 6.358 -9.513 1.00 21.05 H new ATOM 0 HA ILE A 129 -4.647 5.538 -7.265 1.00 73.30 H new ATOM 0 HB ILE A 129 -4.497 4.940 -10.236 1.00 3.21 H new ATOM 0 HG12 ILE A 129 -5.170 3.149 -7.881 1.00 63.14 H new ATOM 0 HG13 ILE A 129 -6.375 4.082 -8.746 1.00 63.14 H new ATOM 0 HG21 ILE A 129 -2.865 3.169 -9.719 1.00 24.41 H new ATOM 0 HG22 ILE A 129 -2.213 4.788 -9.366 1.00 24.41 H new ATOM 0 HG23 ILE A 129 -2.776 3.746 -8.038 1.00 24.41 H new ATOM 0 HD11 ILE A 129 -6.299 1.776 -9.562 1.00 70.14 H new ATOM 0 HD12 ILE A 129 -5.799 2.908 -10.841 1.00 70.14 H new ATOM 0 HD13 ILE A 129 -4.575 1.961 -9.962 1.00 70.14 H new ATOM 2032 N THR A 130 -3.162 7.603 -9.341 1.00 61.21 N ATOM 2033 CA THR A 130 -1.997 8.459 -9.524 1.00 1.21 C ATOM 2034 C THR A 130 -1.820 9.407 -8.343 1.00 31.52 C ATOM 2035 O THR A 130 -0.722 9.902 -8.093 1.00 10.24 O ATOM 2036 CB THR A 130 -2.105 9.286 -10.819 1.00 12.11 C ATOM 2037 OG1 THR A 130 -3.482 9.509 -11.144 1.00 62.12 O ATOM 2038 CG2 THR A 130 -1.414 8.576 -11.974 1.00 14.35 C ATOM 0 H THR A 130 -3.913 7.764 -10.012 1.00 61.21 H new ATOM 0 HA THR A 130 -1.130 7.802 -9.592 1.00 1.21 H new ATOM 0 HB THR A 130 -1.611 10.244 -10.655 1.00 12.11 H new ATOM 0 HG1 THR A 130 -3.967 9.786 -10.339 1.00 62.12 H new ATOM 0 HG21 THR A 130 -1.504 9.179 -12.878 1.00 14.35 H new ATOM 0 HG22 THR A 130 -0.360 8.434 -11.735 1.00 14.35 H new ATOM 0 HG23 THR A 130 -1.883 7.606 -12.137 1.00 14.35 H new ATOM 2046 N GLU A 131 -2.908 9.653 -7.620 1.00 31.14 N ATOM 2047 CA GLU A 131 -2.871 10.542 -6.464 1.00 74.13 C ATOM 2048 C GLU A 131 -1.897 10.024 -5.410 1.00 40.22 C ATOM 2049 O GLU A 131 -1.465 10.769 -4.531 1.00 34.11 O ATOM 2050 CB GLU A 131 -4.269 10.683 -5.857 1.00 43.52 C ATOM 2051 CG GLU A 131 -4.471 11.979 -5.090 1.00 4.31 C ATOM 2052 CD GLU A 131 -5.063 11.755 -3.712 1.00 42.31 C ATOM 2053 OE1 GLU A 131 -6.277 11.476 -3.626 1.00 2.34 O ATOM 2054 OE2 GLU A 131 -4.311 11.859 -2.720 1.00 72.10 O ATOM 0 H GLU A 131 -3.825 9.250 -7.814 1.00 31.14 H new ATOM 0 HA GLU A 131 -2.528 11.520 -6.801 1.00 74.13 H new ATOM 0 HB2 GLU A 131 -5.010 10.623 -6.654 1.00 43.52 H new ATOM 0 HB3 GLU A 131 -4.452 9.842 -5.188 1.00 43.52 H new ATOM 0 HG2 GLU A 131 -3.514 12.491 -4.991 1.00 4.31 H new ATOM 0 HG3 GLU A 131 -5.127 12.636 -5.661 1.00 4.31 H new ATOM 2061 N GLU A 132 -1.556 8.743 -5.506 1.00 71.23 N ATOM 2062 CA GLU A 132 -0.634 8.125 -4.560 1.00 52.33 C ATOM 2063 C GLU A 132 0.814 8.346 -4.989 1.00 12.14 C ATOM 2064 O GLU A 132 1.736 8.233 -4.181 1.00 40.20 O ATOM 2065 CB GLU A 132 -0.919 6.627 -4.440 1.00 72.24 C ATOM 2066 CG GLU A 132 -2.183 6.308 -3.660 1.00 13.23 C ATOM 2067 CD GLU A 132 -1.979 5.199 -2.646 1.00 71.23 C ATOM 2068 OE1 GLU A 132 -2.004 4.017 -3.047 1.00 64.50 O ATOM 2069 OE2 GLU A 132 -1.794 5.514 -1.452 1.00 35.11 O ATOM 0 H GLU A 132 -1.904 8.113 -6.229 1.00 71.23 H new ATOM 0 HA GLU A 132 -0.783 8.594 -3.588 1.00 52.33 H new ATOM 0 HB2 GLU A 132 -1.002 6.200 -5.440 1.00 72.24 H new ATOM 0 HB3 GLU A 132 -0.071 6.142 -3.956 1.00 72.24 H new ATOM 0 HG2 GLU A 132 -2.525 7.207 -3.146 1.00 13.23 H new ATOM 0 HG3 GLU A 132 -2.971 6.019 -4.355 1.00 13.23 H new ATOM 2076 N VAL A 133 1.005 8.661 -6.266 1.00 4.02 N ATOM 2077 CA VAL A 133 2.340 8.898 -6.803 1.00 0.33 C ATOM 2078 C VAL A 133 2.760 10.351 -6.610 1.00 55.32 C ATOM 2079 O VAL A 133 3.949 10.658 -6.526 1.00 40.55 O ATOM 2080 CB VAL A 133 2.413 8.549 -8.301 1.00 34.30 C ATOM 2081 CG1 VAL A 133 2.250 9.800 -9.150 1.00 54.20 C ATOM 2082 CG2 VAL A 133 3.723 7.845 -8.620 1.00 74.55 C ATOM 0 H VAL A 133 0.253 8.758 -6.948 1.00 4.02 H new ATOM 0 HA VAL A 133 3.022 8.249 -6.253 1.00 0.33 H new ATOM 0 HB VAL A 133 1.594 7.870 -8.538 1.00 34.30 H new ATOM 0 HG11 VAL A 133 2.304 9.533 -10.205 1.00 54.20 H new ATOM 0 HG12 VAL A 133 1.283 10.258 -8.941 1.00 54.20 H new ATOM 0 HG13 VAL A 133 3.045 10.507 -8.913 1.00 54.20 H new ATOM 0 HG21 VAL A 133 3.758 7.606 -9.683 1.00 74.55 H new ATOM 0 HG22 VAL A 133 4.558 8.498 -8.368 1.00 74.55 H new ATOM 0 HG23 VAL A 133 3.793 6.926 -8.039 1.00 74.55 H new ATOM 2092 N ILE A 134 1.775 11.241 -6.540 1.00 43.14 N ATOM 2093 CA ILE A 134 2.043 12.662 -6.356 1.00 15.11 C ATOM 2094 C ILE A 134 2.461 12.961 -4.920 1.00 74.02 C ATOM 2095 O ILE A 134 3.236 13.882 -4.668 1.00 13.31 O ATOM 2096 CB ILE A 134 0.811 13.517 -6.709 1.00 30.05 C ATOM 2097 CG1 ILE A 134 1.084 14.992 -6.409 1.00 2.34 C ATOM 2098 CG2 ILE A 134 -0.409 13.031 -5.939 1.00 44.54 C ATOM 2099 CD1 ILE A 134 0.550 15.445 -5.068 1.00 4.14 C ATOM 0 H ILE A 134 0.785 11.003 -6.608 1.00 43.14 H new ATOM 0 HA ILE A 134 2.860 12.920 -7.031 1.00 15.11 H new ATOM 0 HB ILE A 134 0.609 13.414 -7.775 1.00 30.05 H new ATOM 0 HG12 ILE A 134 2.159 15.168 -6.441 1.00 2.34 H new ATOM 0 HG13 ILE A 134 0.638 15.603 -7.194 1.00 2.34 H new ATOM 0 HG21 ILE A 134 -1.271 13.645 -6.199 1.00 44.54 H new ATOM 0 HG22 ILE A 134 -0.612 11.992 -6.197 1.00 44.54 H new ATOM 0 HG23 ILE A 134 -0.218 13.108 -4.869 1.00 44.54 H new ATOM 0 HD11 ILE A 134 0.780 16.501 -4.923 1.00 4.14 H new ATOM 0 HD12 ILE A 134 -0.530 15.301 -5.039 1.00 4.14 H new ATOM 0 HD13 ILE A 134 1.015 14.860 -4.275 1.00 4.14 H new ATOM 2111 N ASN A 135 1.943 12.174 -3.983 1.00 33.12 N ATOM 2112 CA ASN A 135 2.263 12.353 -2.571 1.00 41.44 C ATOM 2113 C ASN A 135 3.673 11.857 -2.266 1.00 70.32 C ATOM 2114 O ASN A 135 4.283 12.255 -1.273 1.00 33.41 O ATOM 2115 CB ASN A 135 1.249 11.612 -1.698 1.00 71.34 C ATOM 2116 CG ASN A 135 1.914 10.685 -0.699 1.00 43.21 C ATOM 2117 OD1 ASN A 135 2.097 11.039 0.466 1.00 63.22 O ATOM 2118 ND2 ASN A 135 2.280 9.492 -1.152 1.00 22.42 N ATOM 0 H ASN A 135 1.300 11.406 -4.176 1.00 33.12 H new ATOM 0 HA ASN A 135 2.215 13.418 -2.346 1.00 41.44 H new ATOM 0 HB2 ASN A 135 0.635 12.337 -1.164 1.00 71.34 H new ATOM 0 HB3 ASN A 135 0.579 11.035 -2.335 1.00 71.34 H new ATOM 0 HD21 ASN A 135 2.733 8.826 -0.526 1.00 22.42 H new ATOM 0 HD22 ASN A 135 2.108 9.242 -2.126 1.00 22.42 H new ATOM 2125 N THR A 136 4.187 10.984 -3.128 1.00 12.31 N ATOM 2126 CA THR A 136 5.524 10.432 -2.951 1.00 40.41 C ATOM 2127 C THR A 136 6.593 11.441 -3.356 1.00 30.01 C ATOM 2128 O THR A 136 7.593 11.614 -2.659 1.00 1.44 O ATOM 2129 CB THR A 136 5.713 9.143 -3.773 1.00 50.40 C ATOM 2130 OG1 THR A 136 4.544 8.888 -4.559 1.00 73.21 O ATOM 2131 CG2 THR A 136 5.987 7.956 -2.862 1.00 44.32 C ATOM 0 H THR A 136 3.697 10.644 -3.956 1.00 12.31 H new ATOM 0 HA THR A 136 5.632 10.198 -1.892 1.00 40.41 H new ATOM 0 HB THR A 136 6.570 9.280 -4.432 1.00 50.40 H new ATOM 0 HG1 THR A 136 3.798 8.653 -3.969 1.00 73.21 H new ATOM 0 HG21 THR A 136 6.117 7.057 -3.465 1.00 44.32 H new ATOM 0 HG22 THR A 136 6.894 8.141 -2.286 1.00 44.32 H new ATOM 0 HG23 THR A 136 5.147 7.818 -2.181 1.00 44.32 H new ATOM 2139 N HIS A 137 6.376 12.105 -4.487 1.00 13.02 N ATOM 2140 CA HIS A 137 7.321 13.098 -4.984 1.00 0.42 C ATOM 2141 C HIS A 137 7.211 14.398 -4.192 1.00 34.45 C ATOM 2142 O HIS A 137 8.032 15.302 -4.345 1.00 53.34 O ATOM 2143 CB HIS A 137 7.075 13.370 -6.468 1.00 55.11 C ATOM 2144 CG HIS A 137 8.297 13.823 -7.205 1.00 62.33 C ATOM 2145 ND1 HIS A 137 8.757 15.122 -7.174 1.00 53.41 N ATOM 2146 CD2 HIS A 137 9.158 13.140 -7.996 1.00 21.35 C ATOM 2147 CE1 HIS A 137 9.846 15.220 -7.915 1.00 23.33 C ATOM 2148 NE2 HIS A 137 10.112 14.030 -8.424 1.00 15.20 N ATOM 0 H HIS A 137 5.554 11.973 -5.076 1.00 13.02 H new ATOM 0 HA HIS A 137 8.328 12.700 -4.857 1.00 0.42 H new ATOM 0 HB2 HIS A 137 6.694 12.463 -6.937 1.00 55.11 H new ATOM 0 HB3 HIS A 137 6.299 14.130 -6.566 1.00 55.11 H new ATOM 0 HD2 HIS A 137 9.104 12.090 -8.244 1.00 21.35 H new ATOM 0 HE1 HIS A 137 10.421 16.120 -8.077 1.00 23.33 H new ATOM 0 HE2 HIS A 137 10.898 13.809 -9.035 1.00 15.20 H new ATOM 2156 N HIS A 138 6.190 14.483 -3.344 1.00 50.51 N ATOM 2157 CA HIS A 138 5.972 15.672 -2.528 1.00 2.44 C ATOM 2158 C HIS A 138 6.378 15.418 -1.079 1.00 1.30 C ATOM 2159 O HIS A 138 6.706 16.350 -0.344 1.00 32.34 O ATOM 2160 CB HIS A 138 4.505 16.099 -2.591 1.00 64.12 C ATOM 2161 CG HIS A 138 4.315 17.583 -2.654 1.00 4.20 C ATOM 2162 ND1 HIS A 138 3.857 18.329 -1.589 1.00 30.04 N ATOM 2163 CD2 HIS A 138 4.526 18.461 -3.663 1.00 24.14 C ATOM 2164 CE1 HIS A 138 3.793 19.601 -1.940 1.00 35.14 C ATOM 2165 NE2 HIS A 138 4.194 19.708 -3.193 1.00 71.15 N ATOM 0 H HIS A 138 5.502 13.743 -3.204 1.00 50.51 H new ATOM 0 HA HIS A 138 6.593 16.474 -2.926 1.00 2.44 H new ATOM 0 HB2 HIS A 138 4.040 15.644 -3.466 1.00 64.12 H new ATOM 0 HB3 HIS A 138 3.984 15.711 -1.715 1.00 64.12 H new ATOM 0 HD2 HIS A 138 4.888 18.225 -4.653 1.00 24.14 H new ATOM 0 HE1 HIS A 138 3.468 20.415 -1.309 1.00 35.14 H new ATOM 0 HE2 HIS A 138 4.248 20.576 -3.726 1.00 71.15 H new ATOM 2173 N ARG A 139 6.353 14.152 -0.676 1.00 11.12 N ATOM 2174 CA ARG A 139 6.716 13.776 0.685 1.00 2.31 C ATOM 2175 C ARG A 139 8.076 14.356 1.065 1.00 53.13 C ATOM 2176 O ARG A 139 8.160 15.318 1.828 1.00 22.02 O ATOM 2177 CB ARG A 139 6.742 12.253 0.827 1.00 51.32 C ATOM 2178 CG ARG A 139 5.431 11.666 1.324 1.00 61.35 C ATOM 2179 CD ARG A 139 5.154 10.310 0.693 1.00 70.01 C ATOM 2180 NE ARG A 139 4.934 9.274 1.698 1.00 74.40 N ATOM 2181 CZ ARG A 139 5.916 8.655 2.344 1.00 41.23 C ATOM 2182 NH1 ARG A 139 7.180 8.968 2.091 1.00 74.42 N ATOM 2183 NH2 ARG A 139 5.636 7.723 3.245 1.00 74.42 N ATOM 0 H ARG A 139 6.085 13.369 -1.273 1.00 11.12 H new ATOM 0 HA ARG A 139 5.964 14.184 1.360 1.00 2.31 H new ATOM 0 HB2 ARG A 139 6.986 11.810 -0.139 1.00 51.32 H new ATOM 0 HB3 ARG A 139 7.540 11.974 1.516 1.00 51.32 H new ATOM 0 HG2 ARG A 139 5.465 11.564 2.409 1.00 61.35 H new ATOM 0 HG3 ARG A 139 4.614 12.350 1.093 1.00 61.35 H new ATOM 0 HD2 ARG A 139 4.278 10.382 0.049 1.00 70.01 H new ATOM 0 HD3 ARG A 139 5.994 10.027 0.058 1.00 70.01 H new ATOM 0 HE ARG A 139 3.973 9.011 1.916 1.00 74.40 H new ATOM 0 HH11 ARG A 139 7.399 9.685 1.399 1.00 74.42 H new ATOM 0 HH12 ARG A 139 7.933 8.492 2.588 1.00 74.42 H new ATOM 0 HH21 ARG A 139 4.665 7.480 3.443 1.00 74.42 H new ATOM 0 HH22 ARG A 139 6.391 7.249 3.740 1.00 74.42 H new ATOM 2197 N SER A 140 9.137 13.764 0.527 1.00 60.14 N ATOM 2198 CA SER A 140 10.493 14.219 0.812 1.00 32.51 C ATOM 2199 C SER A 140 11.454 13.788 -0.292 1.00 30.33 C ATOM 2200 O SER A 140 11.057 13.131 -1.253 1.00 33.14 O ATOM 2201 CB SER A 140 10.965 13.668 2.159 1.00 61.31 C ATOM 2202 OG SER A 140 10.973 14.681 3.150 1.00 73.32 O ATOM 0 H SER A 140 9.084 12.968 -0.109 1.00 60.14 H new ATOM 0 HA SER A 140 10.483 15.308 0.856 1.00 32.51 H new ATOM 0 HB2 SER A 140 10.311 12.854 2.472 1.00 61.31 H new ATOM 0 HB3 SER A 140 11.966 13.250 2.054 1.00 61.31 H new ATOM 0 HG SER A 140 10.155 15.216 3.078 1.00 73.32 H new TER 2208 SER A 140