USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 998 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.115 (180deg=-0.973) USER MOD Single : A 2 SER OG : rot -54:sc= 0.0214 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -177:sc= -0.531 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.39 F(o=-2.8!,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= -2.35 K(o=-2.4,f=-3.8!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 160:sc= -0.8 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 76 SER OG : rot -170:sc= -1.2 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 84 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.6) USER MOD Single : A 87 TYR OH : rot 159:sc= -1.68! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 115 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.761 -0.210 1.355 1.00 15.44 N ATOM 2 CA MET A 1 2.280 -0.135 -0.006 1.00 3.31 C ATOM 3 C MET A 1 2.366 -1.523 -0.632 1.00 74.14 C ATOM 4 O MET A 1 2.501 -2.524 0.072 1.00 71.53 O ATOM 5 CB MET A 1 3.659 0.527 -0.014 1.00 63.25 C ATOM 6 CG MET A 1 4.675 -0.174 0.873 1.00 72.34 C ATOM 7 SD MET A 1 5.626 -1.423 -0.014 1.00 74.21 S ATOM 8 CE MET A 1 6.028 -2.551 1.317 1.00 74.05 C ATOM 0 H1 MET A 1 2.270 0.468 1.958 1.00 15.44 H new ATOM 0 H2 MET A 1 0.747 0.021 1.353 1.00 15.44 H new ATOM 0 H3 MET A 1 1.896 -1.172 1.725 1.00 15.44 H new ATOM 0 HA MET A 1 1.592 0.469 -0.597 1.00 3.31 H new ATOM 0 HB2 MET A 1 4.036 0.550 -1.036 1.00 63.25 H new ATOM 0 HB3 MET A 1 3.558 1.562 0.312 1.00 63.25 H new ATOM 0 HG2 MET A 1 5.357 0.566 1.293 1.00 72.34 H new ATOM 0 HG3 MET A 1 4.158 -0.643 1.710 1.00 72.34 H new ATOM 0 HE1 MET A 1 6.617 -3.380 0.926 1.00 74.05 H new ATOM 0 HE2 MET A 1 6.603 -2.025 2.079 1.00 74.05 H new ATOM 0 HE3 MET A 1 5.108 -2.936 1.758 1.00 74.05 H new ATOM 18 N SER A 2 2.286 -1.577 -1.957 1.00 74.23 N ATOM 19 CA SER A 2 2.351 -2.843 -2.677 1.00 34.35 C ATOM 20 C SER A 2 1.192 -3.752 -2.282 1.00 3.11 C ATOM 21 O SER A 2 1.341 -4.972 -2.211 1.00 53.21 O ATOM 22 CB SER A 2 3.682 -3.545 -2.398 1.00 53.05 C ATOM 23 OG SER A 2 3.991 -4.475 -3.421 1.00 72.31 O ATOM 0 H SER A 2 2.176 -0.758 -2.555 1.00 74.23 H new ATOM 0 HA SER A 2 2.277 -2.630 -3.743 1.00 34.35 H new ATOM 0 HB2 SER A 2 4.478 -2.805 -2.322 1.00 53.05 H new ATOM 0 HB3 SER A 2 3.632 -4.059 -1.438 1.00 53.05 H new ATOM 0 HG SER A 2 3.243 -5.099 -3.533 1.00 72.31 H new ATOM 29 N SER A 3 0.035 -3.148 -2.027 1.00 72.01 N ATOM 30 CA SER A 3 -1.150 -3.902 -1.635 1.00 24.41 C ATOM 31 C SER A 3 -2.222 -3.829 -2.718 1.00 2.44 C ATOM 32 O SER A 3 -3.417 -3.847 -2.426 1.00 21.24 O ATOM 33 CB SER A 3 -1.707 -3.367 -0.315 1.00 44.53 C ATOM 34 OG SER A 3 -0.996 -3.898 0.791 1.00 72.50 O ATOM 0 H SER A 3 -0.107 -2.140 -2.085 1.00 72.01 H new ATOM 0 HA SER A 3 -0.860 -4.944 -1.503 1.00 24.41 H new ATOM 0 HB2 SER A 3 -1.643 -2.279 -0.304 1.00 44.53 H new ATOM 0 HB3 SER A 3 -2.763 -3.625 -0.231 1.00 44.53 H new ATOM 0 HG SER A 3 -1.370 -3.540 1.623 1.00 72.50 H new ATOM 40 N GLU A 4 -1.784 -3.747 -3.971 1.00 74.53 N ATOM 41 CA GLU A 4 -2.706 -3.671 -5.098 1.00 44.43 C ATOM 42 C GLU A 4 -3.449 -4.991 -5.284 1.00 72.00 C ATOM 43 O GLU A 4 -4.593 -5.015 -5.738 1.00 41.22 O ATOM 44 CB GLU A 4 -1.951 -3.314 -6.380 1.00 55.41 C ATOM 45 CG GLU A 4 -1.584 -1.843 -6.480 1.00 51.52 C ATOM 46 CD GLU A 4 -2.799 -0.945 -6.610 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.605 -1.167 -7.539 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -2.946 -0.021 -5.783 1.00 44.14 O ATOM 0 H GLU A 4 -0.798 -3.732 -4.231 1.00 74.53 H new ATOM 0 HA GLU A 4 -3.436 -2.890 -4.885 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.041 -3.911 -6.434 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.563 -3.587 -7.240 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -1.016 -1.553 -5.596 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -0.932 -1.693 -7.341 1.00 51.52 H new ATOM 55 N LEU A 5 -2.790 -6.089 -4.931 1.00 43.24 N ATOM 56 CA LEU A 5 -3.386 -7.414 -5.058 1.00 13.32 C ATOM 57 C LEU A 5 -4.733 -7.477 -4.346 1.00 63.44 C ATOM 58 O LEU A 5 -5.655 -8.158 -4.797 1.00 51.25 O ATOM 59 CB LEU A 5 -2.444 -8.476 -4.487 1.00 63.32 C ATOM 60 CG LEU A 5 -2.357 -8.544 -2.961 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.679 -9.833 -2.522 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.612 -7.335 -2.416 1.00 74.41 C ATOM 0 H LEU A 5 -1.842 -6.088 -4.554 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.547 -7.612 -6.118 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.761 -9.451 -4.857 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.444 -8.295 -4.881 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.369 -8.535 -2.557 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.626 -9.864 -1.434 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.253 -10.687 -2.882 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.671 -9.873 -2.936 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.559 -7.400 -1.329 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.603 -7.314 -2.828 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.139 -6.424 -2.700 1.00 74.41 H new ATOM 74 N LEU A 6 -4.841 -6.760 -3.233 1.00 10.52 N ATOM 75 CA LEU A 6 -6.077 -6.730 -2.459 1.00 13.21 C ATOM 76 C LEU A 6 -7.222 -6.147 -3.282 1.00 51.12 C ATOM 77 O LEU A 6 -8.306 -6.726 -3.355 1.00 73.12 O ATOM 78 CB LEU A 6 -5.883 -5.912 -1.181 1.00 44.03 C ATOM 79 CG LEU A 6 -4.751 -6.364 -0.260 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.470 -5.309 0.800 1.00 31.20 C ATOM 81 CD2 LEU A 6 -5.091 -7.698 0.389 1.00 22.10 C ATOM 0 H LEU A 6 -4.088 -6.192 -2.846 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.333 -7.755 -2.191 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.703 -4.874 -1.462 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.815 -5.933 -0.615 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.851 -6.494 -0.861 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.661 -5.649 1.446 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.181 -4.376 0.317 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.367 -5.145 1.397 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.273 -8.004 1.041 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -6.004 -7.595 0.975 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.240 -8.452 -0.384 1.00 22.10 H new ATOM 93 N ASP A 7 -6.972 -4.998 -3.900 1.00 4.52 N ATOM 94 CA ASP A 7 -7.981 -4.337 -4.721 1.00 25.12 C ATOM 95 C ASP A 7 -8.293 -5.161 -5.967 1.00 33.21 C ATOM 96 O ASP A 7 -9.422 -5.164 -6.454 1.00 24.02 O ATOM 97 CB ASP A 7 -7.506 -2.941 -5.124 1.00 34.32 C ATOM 98 CG ASP A 7 -8.656 -2.012 -5.461 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.589 -1.900 -4.638 1.00 34.22 O ATOM 100 OD2 ASP A 7 -8.623 -1.397 -6.547 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.081 -4.505 -3.848 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.892 -4.246 -4.130 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -6.922 -2.511 -4.311 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -6.843 -3.021 -5.985 1.00 34.32 H new ATOM 105 N ALA A 8 -7.282 -5.858 -6.477 1.00 74.43 N ATOM 106 CA ALA A 8 -7.449 -6.686 -7.665 1.00 44.45 C ATOM 107 C ALA A 8 -8.581 -7.691 -7.480 1.00 72.11 C ATOM 108 O ALA A 8 -9.434 -7.849 -8.355 1.00 71.43 O ATOM 109 CB ALA A 8 -6.149 -7.407 -7.993 1.00 72.11 C ATOM 0 H ALA A 8 -6.340 -5.865 -6.086 1.00 74.43 H new ATOM 0 HA ALA A 8 -7.710 -6.034 -8.498 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.288 -8.022 -8.882 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.363 -6.674 -8.178 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -5.863 -8.042 -7.154 1.00 72.11 H new ATOM 115 N LEU A 9 -8.585 -8.366 -6.336 1.00 65.10 N ATOM 116 CA LEU A 9 -9.613 -9.357 -6.036 1.00 30.43 C ATOM 117 C LEU A 9 -11.001 -8.724 -6.054 1.00 2.51 C ATOM 118 O LEU A 9 -11.933 -9.261 -6.654 1.00 14.11 O ATOM 119 CB LEU A 9 -9.350 -9.996 -4.672 1.00 54.45 C ATOM 120 CG LEU A 9 -7.932 -10.520 -4.438 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.578 -10.460 -2.960 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.796 -11.942 -4.964 1.00 32.24 C ATOM 0 H LEU A 9 -7.888 -8.245 -5.601 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.575 -10.128 -6.805 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.576 -9.261 -3.899 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.048 -10.823 -4.540 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.235 -9.884 -4.983 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.566 -10.837 -2.813 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.635 -9.428 -2.614 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.279 -11.072 -2.393 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.781 -12.299 -4.789 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.503 -12.591 -4.447 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.007 -11.956 -6.033 1.00 32.24 H new ATOM 134 N THR A 10 -11.131 -7.576 -5.396 1.00 42.42 N ATOM 135 CA THR A 10 -12.404 -6.869 -5.337 1.00 45.22 C ATOM 136 C THR A 10 -12.947 -6.598 -6.736 1.00 33.22 C ATOM 137 O THR A 10 -14.137 -6.782 -6.997 1.00 71.53 O ATOM 138 CB THR A 10 -12.271 -5.533 -4.582 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.752 -5.763 -3.267 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.616 -4.829 -4.486 1.00 62.04 C ATOM 0 H THR A 10 -10.370 -7.116 -4.896 1.00 42.42 H new ATOM 0 HA THR A 10 -13.099 -7.513 -4.799 1.00 45.22 H new ATOM 0 HB THR A 10 -11.584 -4.894 -5.137 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.669 -4.909 -2.794 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.497 -3.888 -3.949 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.994 -4.629 -5.488 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.322 -5.465 -3.952 1.00 62.04 H new ATOM 148 N ILE A 11 -12.068 -6.159 -7.632 1.00 32.10 N ATOM 149 CA ILE A 11 -12.461 -5.864 -9.004 1.00 21.23 C ATOM 150 C ILE A 11 -13.127 -7.070 -9.656 1.00 62.33 C ATOM 151 O ILE A 11 -14.035 -6.923 -10.476 1.00 65.32 O ATOM 152 CB ILE A 11 -11.250 -5.436 -9.856 1.00 71.24 C ATOM 153 CG1 ILE A 11 -10.598 -4.186 -9.262 1.00 53.43 C ATOM 154 CG2 ILE A 11 -11.677 -5.187 -11.294 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.110 -4.102 -9.520 1.00 14.01 C ATOM 0 H ILE A 11 -11.080 -6.000 -7.432 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.173 -5.040 -8.959 1.00 21.23 H new ATOM 0 HB ILE A 11 -10.516 -6.242 -9.851 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.081 -3.302 -9.677 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -10.774 -4.170 -8.186 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -10.811 -4.885 -11.884 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.100 -6.101 -11.711 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -12.426 -4.396 -11.319 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -8.714 -3.191 -9.071 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -8.615 -4.968 -9.081 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -8.927 -4.086 -10.594 1.00 14.01 H new ATOM 167 N LEU A 12 -12.672 -8.262 -9.288 1.00 75.15 N ATOM 168 CA LEU A 12 -13.226 -9.495 -9.837 1.00 35.45 C ATOM 169 C LEU A 12 -14.657 -9.710 -9.356 1.00 52.41 C ATOM 170 O LEU A 12 -15.455 -10.362 -10.028 1.00 23.30 O ATOM 171 CB LEU A 12 -12.357 -10.689 -9.436 1.00 52.11 C ATOM 172 CG LEU A 12 -10.858 -10.547 -9.700 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.138 -11.854 -9.408 1.00 0.53 C ATOM 174 CD2 LEU A 12 -10.608 -10.108 -11.136 1.00 60.44 C ATOM 0 H LEU A 12 -11.921 -8.401 -8.612 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.236 -9.408 -10.923 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.502 -10.877 -8.372 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.717 -11.570 -9.968 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.463 -9.781 -9.033 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.072 -11.733 -9.602 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.288 -12.127 -8.363 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.537 -12.640 -10.049 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.536 -10.012 -11.306 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.019 -10.851 -11.820 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.091 -9.147 -11.312 1.00 60.44 H new ATOM 186 N GLU A 13 -14.974 -9.157 -8.190 1.00 2.20 N ATOM 187 CA GLU A 13 -16.311 -9.287 -7.622 1.00 73.44 C ATOM 188 C GLU A 13 -17.368 -8.768 -8.591 1.00 24.32 C ATOM 189 O GLU A 13 -18.515 -9.214 -8.576 1.00 32.15 O ATOM 190 CB GLU A 13 -16.402 -8.528 -6.296 1.00 53.14 C ATOM 191 CG GLU A 13 -15.367 -8.963 -5.273 1.00 32.32 C ATOM 192 CD GLU A 13 -15.876 -10.058 -4.356 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.896 -11.230 -4.788 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.255 -9.744 -3.209 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.324 -8.615 -7.620 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.499 -10.345 -7.441 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -16.284 -7.462 -6.489 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.398 -8.668 -5.875 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -14.475 -9.314 -5.791 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -15.070 -8.102 -4.674 1.00 32.32 H new ATOM 201 N LYS A 14 -16.973 -7.822 -9.436 1.00 41.41 N ATOM 202 CA LYS A 14 -17.884 -7.240 -10.415 1.00 53.15 C ATOM 203 C LYS A 14 -18.479 -8.320 -11.313 1.00 32.03 C ATOM 204 O LYS A 14 -19.569 -8.155 -11.858 1.00 33.02 O ATOM 205 CB LYS A 14 -17.154 -6.199 -11.267 1.00 52.04 C ATOM 206 CG LYS A 14 -18.034 -5.037 -11.694 1.00 23.23 C ATOM 207 CD LYS A 14 -17.309 -4.114 -12.660 1.00 74.34 C ATOM 208 CE LYS A 14 -16.325 -3.209 -11.934 1.00 0.54 C ATOM 209 NZ LYS A 14 -17.001 -2.029 -11.329 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.027 -7.441 -9.463 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.696 -6.753 -9.874 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -16.304 -5.813 -10.704 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -16.753 -6.686 -12.156 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -18.940 -5.419 -12.165 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -18.345 -4.473 -10.815 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -16.778 -4.708 -13.404 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -18.036 -3.505 -13.198 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -15.817 -3.776 -11.154 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -15.559 -2.871 -12.632 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -16.297 -1.437 -10.844 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -17.465 -1.474 -12.076 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.714 -2.351 -10.644 1.00 44.11 H new ATOM 223 N GLU A 15 -17.755 -9.426 -11.461 1.00 31.13 N ATOM 224 CA GLU A 15 -18.214 -10.532 -12.294 1.00 10.21 C ATOM 225 C GLU A 15 -18.929 -11.585 -11.451 1.00 74.31 C ATOM 226 O GLU A 15 -18.400 -12.056 -10.444 1.00 23.34 O ATOM 227 CB GLU A 15 -17.033 -11.168 -13.031 1.00 45.25 C ATOM 228 CG GLU A 15 -17.385 -12.466 -13.737 1.00 55.15 C ATOM 229 CD GLU A 15 -18.432 -12.277 -14.818 1.00 24.20 C ATOM 230 OE1 GLU A 15 -18.416 -11.218 -15.480 1.00 1.53 O ATOM 231 OE2 GLU A 15 -19.268 -13.187 -15.000 1.00 50.25 O1- ATOM 0 H GLU A 15 -16.850 -9.580 -11.016 1.00 31.13 H new ATOM 0 HA GLU A 15 -18.919 -10.136 -13.026 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -16.648 -10.459 -13.763 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -16.230 -11.358 -12.318 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.484 -12.890 -14.180 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -17.750 -13.186 -13.005 1.00 55.15 H new ATOM 238 N LYS A 16 -20.135 -11.950 -11.872 1.00 54.02 N ATOM 239 CA LYS A 16 -20.925 -12.947 -11.160 1.00 15.32 C ATOM 240 C LYS A 16 -20.500 -14.359 -11.551 1.00 60.10 C ATOM 241 O LYS A 16 -19.668 -14.543 -12.438 1.00 20.10 O ATOM 242 CB LYS A 16 -22.414 -12.752 -11.451 1.00 20.41 C ATOM 243 CG LYS A 16 -23.297 -12.880 -10.221 1.00 32.52 C ATOM 244 CD LYS A 16 -22.973 -11.812 -9.190 1.00 20.11 C ATOM 245 CE LYS A 16 -24.083 -11.679 -8.158 1.00 73.12 C ATOM 246 NZ LYS A 16 -23.647 -10.888 -6.974 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.587 -11.570 -12.704 1.00 54.02 H new ATOM 0 HA LYS A 16 -20.750 -12.817 -10.092 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -22.563 -11.767 -11.894 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.730 -13.486 -12.192 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.344 -12.799 -10.513 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.165 -13.867 -9.778 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -22.037 -12.060 -8.689 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -22.823 -10.855 -9.690 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -24.949 -11.201 -8.616 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -24.400 -12.671 -7.836 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -24.431 -10.820 -6.294 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -22.837 -11.358 -6.522 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -23.369 -9.933 -7.278 1.00 30.23 H new ATOM 260 N GLY A 17 -21.078 -15.353 -10.884 1.00 53.14 N ATOM 261 CA GLY A 17 -20.748 -16.735 -11.178 1.00 1.24 C ATOM 262 C GLY A 17 -19.326 -17.087 -10.787 1.00 24.31 C ATOM 263 O GLY A 17 -18.752 -18.046 -11.305 1.00 30.33 O ATOM 0 H GLY A 17 -21.769 -15.226 -10.145 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.440 -17.391 -10.650 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.885 -16.919 -12.244 1.00 1.24 H new ATOM 267 N ILE A 18 -18.757 -16.311 -9.871 1.00 51.44 N ATOM 268 CA ILE A 18 -17.394 -16.546 -9.411 1.00 32.50 C ATOM 269 C ILE A 18 -17.192 -16.015 -7.996 1.00 3.32 C ATOM 270 O ILE A 18 -18.055 -15.326 -7.452 1.00 25.41 O ATOM 271 CB ILE A 18 -16.363 -15.887 -10.346 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.787 -14.456 -10.681 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.199 -16.708 -11.616 1.00 34.32 C ATOM 274 CD1 ILE A 18 -15.631 -13.553 -11.051 1.00 3.12 C ATOM 0 H ILE A 18 -19.219 -15.514 -9.433 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.241 -17.625 -9.417 1.00 32.50 H new ATOM 0 HB ILE A 18 -15.401 -15.850 -9.834 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.497 -14.480 -11.508 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -17.310 -14.031 -9.824 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.467 -16.229 -12.267 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.856 -17.710 -11.360 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -17.156 -16.773 -12.133 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -16.007 -12.555 -11.276 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -14.931 -13.498 -10.217 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.121 -13.955 -11.927 1.00 3.12 H new ATOM 286 N SER A 19 -16.047 -16.342 -7.405 1.00 72.20 N ATOM 287 CA SER A 19 -15.732 -15.900 -6.052 1.00 5.03 C ATOM 288 C SER A 19 -14.250 -15.562 -5.921 1.00 10.11 C ATOM 289 O SER A 19 -13.387 -16.312 -6.378 1.00 55.41 O ATOM 290 CB SER A 19 -16.111 -16.981 -5.038 1.00 70.31 C ATOM 291 OG SER A 19 -17.368 -16.707 -4.445 1.00 12.11 O ATOM 0 H SER A 19 -15.322 -16.911 -7.842 1.00 72.20 H new ATOM 0 HA SER A 19 -16.312 -15.000 -5.847 1.00 5.03 H new ATOM 0 HB2 SER A 19 -16.143 -17.952 -5.532 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.346 -17.042 -4.264 1.00 70.31 H new ATOM 0 HG SER A 19 -17.588 -17.414 -3.802 1.00 12.11 H new ATOM 297 N LYS A 20 -13.962 -14.426 -5.295 1.00 21.45 N ATOM 298 CA LYS A 20 -12.585 -13.986 -5.102 1.00 74.43 C ATOM 299 C LYS A 20 -11.866 -14.875 -4.093 1.00 44.01 C ATOM 300 O LYS A 20 -10.638 -14.951 -4.083 1.00 62.25 O ATOM 301 CB LYS A 20 -12.554 -12.530 -4.629 1.00 25.14 C ATOM 302 CG LYS A 20 -13.300 -12.299 -3.327 1.00 31.04 C ATOM 303 CD LYS A 20 -12.352 -11.929 -2.199 1.00 45.33 C ATOM 304 CE LYS A 20 -12.058 -10.437 -2.184 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.804 -9.736 -1.102 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.664 -13.793 -4.912 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.069 -14.062 -6.059 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.517 -12.219 -4.504 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.986 -11.896 -5.403 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.033 -11.504 -3.463 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.852 -13.199 -3.059 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.788 -12.225 -1.245 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.420 -12.483 -2.309 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -10.988 -10.279 -2.049 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.325 -10.004 -3.148 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.577 -8.721 -1.125 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.826 -9.865 -1.245 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.531 -10.131 -0.180 1.00 24.23 H new ATOM 319 N GLU A 21 -12.640 -15.546 -3.245 1.00 64.52 N ATOM 320 CA GLU A 21 -12.075 -16.430 -2.232 1.00 11.33 C ATOM 321 C GLU A 21 -11.143 -17.458 -2.866 1.00 34.03 C ATOM 322 O GLU A 21 -10.102 -17.799 -2.302 1.00 42.53 O ATOM 323 CB GLU A 21 -13.192 -17.142 -1.465 1.00 34.13 C ATOM 324 CG GLU A 21 -14.113 -16.197 -0.713 1.00 74.01 C ATOM 325 CD GLU A 21 -15.285 -16.913 -0.070 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.118 -17.430 1.055 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -16.368 -16.957 -0.690 1.00 12.41 O ATOM 0 H GLU A 21 -13.659 -15.494 -3.240 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.497 -15.822 -1.536 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.784 -17.731 -2.166 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.747 -17.841 -0.757 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.543 -15.677 0.057 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.488 -15.438 -1.400 1.00 74.01 H new ATOM 334 N ILE A 22 -11.524 -17.949 -4.040 1.00 11.12 N ATOM 335 CA ILE A 22 -10.722 -18.938 -4.751 1.00 52.11 C ATOM 336 C ILE A 22 -9.536 -18.282 -5.452 1.00 5.14 C ATOM 337 O ILE A 22 -8.495 -18.910 -5.649 1.00 62.02 O ATOM 338 CB ILE A 22 -11.562 -19.701 -5.793 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.786 -20.333 -5.128 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.716 -20.762 -6.479 1.00 74.20 C ATOM 341 CD1 ILE A 22 -14.022 -19.462 -5.183 1.00 40.42 C ATOM 0 H ILE A 22 -12.383 -17.679 -4.519 1.00 11.12 H new ATOM 0 HA ILE A 22 -10.356 -19.643 -4.005 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.907 -18.996 -6.549 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -13.001 -21.286 -5.612 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.551 -20.551 -4.086 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.323 -21.293 -7.212 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.873 -20.287 -6.981 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -10.345 -21.468 -5.736 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.850 -19.974 -4.693 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.825 -18.519 -4.673 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.282 -19.265 -6.223 1.00 40.42 H new ATOM 353 N ILE A 23 -9.700 -17.017 -5.823 1.00 13.43 N ATOM 354 CA ILE A 23 -8.642 -16.276 -6.498 1.00 72.34 C ATOM 355 C ILE A 23 -7.394 -16.184 -5.627 1.00 55.40 C ATOM 356 O ILE A 23 -6.274 -16.350 -6.112 1.00 31.34 O ATOM 357 CB ILE A 23 -9.102 -14.855 -6.872 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.333 -14.914 -7.778 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.972 -14.096 -7.553 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.054 -15.517 -9.137 1.00 34.01 C ATOM 0 H ILE A 23 -10.555 -16.484 -5.668 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.404 -16.823 -7.410 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.373 -14.325 -5.959 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.110 -15.496 -7.284 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.726 -13.906 -7.910 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.312 -13.093 -7.812 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.120 -14.027 -6.876 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.674 -14.623 -8.459 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.971 -15.527 -9.726 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.299 -14.922 -9.651 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.690 -16.537 -9.015 1.00 34.01 H new ATOM 372 N ILE A 24 -7.595 -15.919 -4.341 1.00 51.31 N ATOM 373 CA ILE A 24 -6.487 -15.807 -3.402 1.00 74.21 C ATOM 374 C ILE A 24 -5.579 -17.032 -3.474 1.00 44.54 C ATOM 375 O ILE A 24 -4.356 -16.914 -3.404 1.00 32.23 O ATOM 376 CB ILE A 24 -6.987 -15.639 -1.955 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.808 -14.354 -1.824 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.815 -15.627 -0.986 1.00 1.24 C ATOM 379 CD1 ILE A 24 -9.233 -14.590 -1.375 1.00 31.23 C ATOM 0 H ILE A 24 -8.516 -15.778 -3.926 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.922 -14.920 -3.687 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.628 -16.485 -1.707 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.317 -13.690 -1.113 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.819 -13.840 -2.785 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -6.186 -15.508 0.032 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -5.268 -16.566 -1.065 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -5.150 -14.798 -1.230 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.755 -13.636 -1.304 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.741 -15.229 -2.098 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.231 -15.076 -0.399 1.00 31.23 H new ATOM 391 N GLU A 25 -6.188 -18.205 -3.617 1.00 72.53 N ATOM 392 CA GLU A 25 -5.434 -19.450 -3.700 1.00 43.13 C ATOM 393 C GLU A 25 -4.623 -19.510 -4.991 1.00 2.50 C ATOM 394 O GLU A 25 -3.572 -20.148 -5.047 1.00 34.42 O ATOM 395 CB GLU A 25 -6.380 -20.650 -3.623 1.00 73.04 C ATOM 396 CG GLU A 25 -7.235 -20.672 -2.367 1.00 44.41 C ATOM 397 CD GLU A 25 -6.515 -21.284 -1.182 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.516 -22.001 -1.399 1.00 32.20 O ATOM 399 OE2 GLU A 25 -6.950 -21.045 -0.036 1.00 21.12 O1- ATOM 0 H GLU A 25 -7.200 -18.319 -3.678 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.745 -19.485 -2.856 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -7.032 -20.644 -4.496 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.794 -21.568 -3.669 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -7.535 -19.654 -2.119 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -8.148 -21.235 -2.563 1.00 44.41 H new ATOM 406 N ALA A 26 -5.120 -18.842 -6.026 1.00 1.41 N ATOM 407 CA ALA A 26 -4.441 -18.817 -7.317 1.00 44.13 C ATOM 408 C ALA A 26 -3.107 -18.085 -7.222 1.00 13.13 C ATOM 409 O ALA A 26 -2.070 -18.609 -7.630 1.00 24.00 O ATOM 410 CB ALA A 26 -5.328 -18.167 -8.368 1.00 14.40 C ATOM 0 H ALA A 26 -5.990 -18.311 -5.997 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.240 -19.847 -7.613 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.808 -18.155 -9.326 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.254 -18.734 -8.464 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.559 -17.145 -8.068 1.00 14.40 H new ATOM 416 N ILE A 27 -3.140 -16.871 -6.681 1.00 44.10 N ATOM 417 CA ILE A 27 -1.933 -16.068 -6.533 1.00 13.45 C ATOM 418 C ILE A 27 -0.865 -16.821 -5.747 1.00 13.44 C ATOM 419 O ILE A 27 0.310 -16.809 -6.111 1.00 54.42 O ATOM 420 CB ILE A 27 -2.229 -14.732 -5.825 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.196 -13.891 -6.660 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.937 -13.970 -5.571 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.631 -13.974 -6.190 1.00 74.33 C ATOM 0 H ILE A 27 -3.990 -16.423 -6.338 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.565 -15.863 -7.538 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.698 -14.942 -4.864 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.874 -12.850 -6.635 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.143 -14.216 -7.699 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.162 -13.028 -5.070 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.280 -14.568 -4.940 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.442 -13.767 -6.521 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.259 -13.353 -6.828 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.971 -15.008 -6.241 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.698 -13.621 -5.161 1.00 74.33 H new ATOM 435 N GLU A 28 -1.283 -17.477 -4.669 1.00 54.21 N ATOM 436 CA GLU A 28 -0.361 -18.236 -3.833 1.00 54.51 C ATOM 437 C GLU A 28 0.358 -19.307 -4.649 1.00 43.41 C ATOM 438 O GLU A 28 1.560 -19.517 -4.494 1.00 43.02 O ATOM 439 CB GLU A 28 -1.111 -18.886 -2.668 1.00 64.12 C ATOM 440 CG GLU A 28 -1.744 -17.883 -1.717 1.00 40.22 C ATOM 441 CD GLU A 28 -2.934 -18.457 -0.972 1.00 51.43 C ATOM 442 OE1 GLU A 28 -3.221 -19.659 -1.149 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -3.577 -17.704 -0.211 1.00 63.03 O ATOM 0 H GLU A 28 -2.253 -17.498 -4.355 1.00 54.21 H new ATOM 0 HA GLU A 28 0.383 -17.545 -3.437 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.889 -19.538 -3.066 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.420 -19.518 -2.110 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.997 -17.548 -0.998 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -2.061 -17.005 -2.279 1.00 40.22 H new ATOM 450 N ALA A 29 -0.389 -19.980 -5.518 1.00 30.04 N ATOM 451 CA ALA A 29 0.176 -21.028 -6.359 1.00 12.54 C ATOM 452 C ALA A 29 1.064 -20.437 -7.450 1.00 13.03 C ATOM 453 O ALA A 29 2.025 -21.067 -7.889 1.00 61.31 O ATOM 454 CB ALA A 29 -0.934 -21.865 -6.977 1.00 31.13 C ATOM 0 H ALA A 29 -1.386 -19.818 -5.658 1.00 30.04 H new ATOM 0 HA ALA A 29 0.794 -21.670 -5.731 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.497 -22.644 -7.602 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.526 -22.325 -6.186 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.575 -21.227 -7.586 1.00 31.13 H new ATOM 460 N ALA A 30 0.733 -19.225 -7.882 1.00 53.23 N ATOM 461 CA ALA A 30 1.502 -18.549 -8.921 1.00 23.45 C ATOM 462 C ALA A 30 2.873 -18.128 -8.402 1.00 61.02 C ATOM 463 O ALA A 30 3.892 -18.358 -9.055 1.00 51.44 O ATOM 464 CB ALA A 30 0.737 -17.340 -9.440 1.00 32.41 C ATOM 0 H ALA A 30 -0.061 -18.691 -7.530 1.00 53.23 H new ATOM 0 HA ALA A 30 1.653 -19.250 -9.742 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.322 -16.844 -10.215 1.00 32.41 H new ATOM 0 HB2 ALA A 30 -0.217 -17.664 -9.857 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.557 -16.644 -8.621 1.00 32.41 H new ATOM 470 N LEU A 31 2.892 -17.509 -7.227 1.00 5.35 N ATOM 471 CA LEU A 31 4.139 -17.055 -6.621 1.00 1.23 C ATOM 472 C LEU A 31 5.093 -18.224 -6.398 1.00 21.11 C ATOM 473 O LEU A 31 6.254 -18.175 -6.804 1.00 34.51 O ATOM 474 CB LEU A 31 3.856 -16.352 -5.293 1.00 45.33 C ATOM 475 CG LEU A 31 3.608 -14.845 -5.369 1.00 33.31 C ATOM 476 CD1 LEU A 31 4.813 -14.137 -5.971 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.355 -14.552 -6.180 1.00 43.31 C ATOM 0 H LEU A 31 2.058 -17.310 -6.675 1.00 5.35 H new ATOM 0 HA LEU A 31 4.612 -16.350 -7.305 1.00 1.23 H new ATOM 0 HB2 LEU A 31 2.984 -16.820 -4.836 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.699 -16.528 -4.625 1.00 45.33 H new ATOM 0 HG LEU A 31 3.458 -14.468 -4.357 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.619 -13.065 -6.018 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.690 -14.321 -5.351 1.00 53.12 H new ATOM 0 HD13 LEU A 31 4.994 -14.517 -6.976 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.194 -13.475 -6.224 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.476 -14.942 -7.191 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.496 -15.029 -5.708 1.00 43.31 H new ATOM 489 N ILE A 32 4.596 -19.274 -5.753 1.00 24.45 N ATOM 490 CA ILE A 32 5.403 -20.456 -5.481 1.00 71.03 C ATOM 491 C ILE A 32 5.916 -21.081 -6.774 1.00 24.23 C ATOM 492 O ILE A 32 7.064 -21.518 -6.851 1.00 63.05 O ATOM 493 CB ILE A 32 4.607 -21.512 -4.693 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.462 -22.759 -4.461 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.326 -21.871 -5.433 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.070 -23.541 -3.227 1.00 4.22 C ATOM 0 H ILE A 32 3.637 -19.330 -5.409 1.00 24.45 H new ATOM 0 HA ILE A 32 6.250 -20.128 -4.878 1.00 71.03 H new ATOM 0 HB ILE A 32 4.338 -21.094 -3.723 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.385 -23.409 -5.333 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.507 -22.462 -4.376 1.00 22.33 H new ATOM 0 HG21 ILE A 32 2.774 -22.619 -4.863 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.712 -20.978 -5.551 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.574 -22.273 -6.415 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.719 -24.411 -3.126 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.174 -22.907 -2.346 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.035 -23.869 -3.318 1.00 4.22 H new ATOM 508 N SER A 33 5.057 -21.120 -7.787 1.00 23.51 N ATOM 509 CA SER A 33 5.422 -21.695 -9.076 1.00 62.33 C ATOM 510 C SER A 33 6.483 -20.844 -9.769 1.00 1.44 C ATOM 511 O SER A 33 7.468 -21.365 -10.291 1.00 2.10 O ATOM 512 CB SER A 33 4.188 -21.818 -9.971 1.00 3.21 C ATOM 513 OG SER A 33 4.545 -21.779 -11.342 1.00 24.42 O ATOM 0 H SER A 33 4.104 -20.760 -7.740 1.00 23.51 H new ATOM 0 HA SER A 33 5.835 -22.688 -8.899 1.00 62.33 H new ATOM 0 HB2 SER A 33 3.669 -22.752 -9.754 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.493 -21.008 -9.750 1.00 3.21 H new ATOM 0 HG SER A 33 3.738 -21.861 -11.893 1.00 24.42 H new ATOM 519 N ALA A 34 6.273 -19.532 -9.769 1.00 22.53 N ATOM 520 CA ALA A 34 7.211 -18.608 -10.395 1.00 1.34 C ATOM 521 C ALA A 34 8.612 -18.771 -9.815 1.00 52.14 C ATOM 522 O ALA A 34 9.587 -18.913 -10.553 1.00 62.24 O ATOM 523 CB ALA A 34 6.731 -17.173 -10.225 1.00 23.24 C ATOM 0 H ALA A 34 5.462 -19.085 -9.342 1.00 22.53 H new ATOM 0 HA ALA A 34 7.257 -18.841 -11.459 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.441 -16.494 -10.697 1.00 23.24 H new ATOM 0 HB2 ALA A 34 5.753 -17.059 -10.693 1.00 23.24 H new ATOM 0 HB3 ALA A 34 6.655 -16.938 -9.163 1.00 23.24 H new ATOM 529 N TYR A 35 8.705 -18.750 -8.490 1.00 60.44 N ATOM 530 CA TYR A 35 9.987 -18.893 -7.812 1.00 42.44 C ATOM 531 C TYR A 35 10.536 -20.307 -7.975 1.00 40.45 C ATOM 532 O TYR A 35 11.748 -20.512 -8.052 1.00 13.24 O ATOM 533 CB TYR A 35 9.843 -18.558 -6.326 1.00 14.41 C ATOM 534 CG TYR A 35 11.050 -18.938 -5.499 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.167 -20.207 -4.945 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.075 -18.028 -5.272 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.268 -20.559 -4.189 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.181 -18.371 -4.518 1.00 13.02 C ATOM 539 CZ TYR A 35 13.272 -19.637 -3.978 1.00 1.20 C ATOM 540 OH TYR A 35 14.371 -19.983 -3.226 1.00 72.42 O ATOM 0 H TYR A 35 7.908 -18.635 -7.864 1.00 60.44 H new ATOM 0 HA TYR A 35 10.689 -18.195 -8.268 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.662 -17.488 -6.219 1.00 14.41 H new ATOM 0 HB3 TYR A 35 8.966 -19.070 -5.930 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.383 -20.931 -5.109 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.006 -17.035 -5.692 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.342 -21.550 -3.766 1.00 4.45 H new ATOM 0 HE2 TYR A 35 13.970 -17.652 -4.352 1.00 13.02 H new ATOM 0 HH TYR A 35 14.962 -19.207 -3.134 1.00 72.42 H new ATOM 550 N LYS A 36 9.635 -21.282 -8.028 1.00 5.13 N ATOM 551 CA LYS A 36 10.025 -22.678 -8.184 1.00 11.15 C ATOM 552 C LYS A 36 10.708 -22.905 -9.528 1.00 32.14 C ATOM 553 O LYS A 36 11.615 -23.730 -9.644 1.00 62.43 O ATOM 554 CB LYS A 36 8.800 -23.588 -8.062 1.00 64.34 C ATOM 555 CG LYS A 36 8.583 -24.131 -6.661 1.00 20.30 C ATOM 556 CD LYS A 36 7.593 -25.283 -6.657 1.00 1.42 C ATOM 557 CE LYS A 36 7.314 -25.774 -5.244 1.00 45.53 C ATOM 558 NZ LYS A 36 7.045 -27.239 -5.210 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.628 -21.131 -7.965 1.00 5.13 H new ATOM 0 HA LYS A 36 10.732 -22.922 -7.391 1.00 11.15 H new ATOM 0 HB2 LYS A 36 7.914 -23.033 -8.369 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.908 -24.423 -8.754 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.535 -24.466 -6.248 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.218 -23.334 -6.013 1.00 20.30 H new ATOM 0 HD2 LYS A 36 6.661 -24.964 -7.123 1.00 1.42 H new ATOM 0 HD3 LYS A 36 7.986 -26.104 -7.258 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.167 -25.546 -4.605 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.458 -25.238 -4.835 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 6.860 -27.535 -4.230 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.215 -27.453 -5.800 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 7.872 -27.752 -5.576 1.00 21.13 H new ATOM 572 N ARG A 37 10.268 -22.166 -10.543 1.00 74.25 N ATOM 573 CA ARG A 37 10.838 -22.288 -11.879 1.00 53.51 C ATOM 574 C ARG A 37 12.346 -22.057 -11.850 1.00 13.30 C ATOM 575 O ARG A 37 13.071 -22.511 -12.734 1.00 74.35 O ATOM 576 CB ARG A 37 10.178 -21.288 -12.831 1.00 25.33 C ATOM 577 CG ARG A 37 8.784 -21.702 -13.276 1.00 1.44 C ATOM 578 CD ARG A 37 8.438 -21.116 -14.637 1.00 4.13 C ATOM 579 NE ARG A 37 7.096 -21.495 -15.070 1.00 22.22 N ATOM 580 CZ ARG A 37 6.428 -20.864 -16.028 1.00 71.43 C ATOM 581 NH1 ARG A 37 6.974 -19.829 -16.652 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 5.210 -21.269 -16.367 1.00 43.33 N ATOM 0 H ARG A 37 9.519 -21.478 -10.465 1.00 74.25 H new ATOM 0 HA ARG A 37 10.649 -23.300 -12.236 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.120 -20.316 -12.341 1.00 25.33 H new ATOM 0 HB3 ARG A 37 10.810 -21.165 -13.711 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.723 -22.789 -13.320 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.052 -21.371 -12.539 1.00 1.44 H new ATOM 0 HD2 ARG A 37 8.512 -20.029 -14.593 1.00 4.13 H new ATOM 0 HD3 ARG A 37 9.166 -21.455 -15.374 1.00 4.13 H new ATOM 0 HE ARG A 37 6.647 -22.288 -14.611 1.00 22.22 H new ATOM 0 HH11 ARG A 37 7.910 -19.515 -16.396 1.00 64.15 H new ATOM 0 HH12 ARG A 37 6.458 -19.347 -17.388 1.00 64.15 H new ATOM 0 HH21 ARG A 37 4.787 -22.066 -15.891 1.00 43.33 H new ATOM 0 HH22 ARG A 37 4.698 -20.783 -17.103 1.00 43.33 H new ATOM 596 N ASN A 38 12.812 -21.347 -10.827 1.00 64.14 N ATOM 597 CA ASN A 38 14.233 -21.056 -10.682 1.00 2.44 C ATOM 598 C ASN A 38 14.965 -22.224 -10.029 1.00 62.25 C ATOM 599 O ASN A 38 16.156 -22.434 -10.262 1.00 62.41 O ATOM 600 CB ASN A 38 14.433 -19.785 -9.854 1.00 14.03 C ATOM 601 CG ASN A 38 14.238 -18.524 -10.672 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.177 -18.019 -11.288 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.015 -18.008 -10.682 1.00 43.51 N ATOM 0 H ASN A 38 12.225 -20.963 -10.086 1.00 64.14 H new ATOM 0 HA ASN A 38 14.650 -20.902 -11.677 1.00 2.44 H new ATOM 0 HB2 ASN A 38 13.732 -19.785 -9.019 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.436 -19.787 -9.428 1.00 14.03 H new ATOM 0 HD21 ASN A 38 12.824 -17.160 -11.215 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.266 -18.460 -10.157 1.00 43.51 H new ATOM 610 N PHE A 39 14.244 -22.981 -9.207 1.00 74.50 N ATOM 611 CA PHE A 39 14.824 -24.128 -8.519 1.00 13.22 C ATOM 612 C PHE A 39 13.757 -25.174 -8.210 1.00 13.23 C ATOM 613 O PHE A 39 13.368 -25.357 -7.058 1.00 12.23 O ATOM 614 CB PHE A 39 15.506 -23.681 -7.224 1.00 22.33 C ATOM 615 CG PHE A 39 16.783 -22.921 -7.450 1.00 63.55 C ATOM 616 CD1 PHE A 39 17.831 -23.497 -8.150 1.00 54.30 C ATOM 617 CD2 PHE A 39 16.934 -21.634 -6.962 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.007 -22.800 -8.360 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.106 -20.933 -7.169 1.00 73.20 C ATOM 620 CZ PHE A 39 19.145 -21.517 -7.868 1.00 41.30 C ATOM 0 H PHE A 39 13.258 -22.820 -9.002 1.00 74.50 H new ATOM 0 HA PHE A 39 15.568 -24.577 -9.177 1.00 13.22 H new ATOM 0 HB2 PHE A 39 14.816 -23.056 -6.656 1.00 22.33 H new ATOM 0 HB3 PHE A 39 15.718 -24.558 -6.613 1.00 22.33 H new ATOM 0 HD1 PHE A 39 17.728 -24.501 -8.536 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.126 -21.173 -6.413 1.00 1.45 H new ATOM 0 HE1 PHE A 39 19.817 -23.259 -8.908 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.210 -19.929 -6.785 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.063 -20.971 -8.029 1.00 41.30 H new ATOM 630 N ASN A 40 13.288 -25.856 -9.249 1.00 5.11 N ATOM 631 CA ASN A 40 12.265 -26.883 -9.090 1.00 31.44 C ATOM 632 C ASN A 40 12.864 -28.165 -8.519 1.00 13.21 C ATOM 633 O ASN A 40 12.445 -28.642 -7.465 1.00 10.21 O ATOM 634 CB ASN A 40 11.591 -27.174 -10.433 1.00 21.11 C ATOM 635 CG ASN A 40 10.527 -28.251 -10.325 1.00 35.33 C ATOM 636 OD1 ASN A 40 10.816 -29.439 -10.462 1.00 34.12 O ATOM 637 ND2 ASN A 40 9.291 -27.836 -10.078 1.00 33.42 N ATOM 0 H ASN A 40 13.600 -25.716 -10.210 1.00 5.11 H new ATOM 0 HA ASN A 40 11.517 -26.510 -8.390 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.140 -26.259 -10.816 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.346 -27.484 -11.156 1.00 21.11 H new ATOM 0 HD21 ASN A 40 8.533 -28.513 -9.994 1.00 33.42 H new ATOM 0 HD22 ASN A 40 9.099 -26.840 -9.972 1.00 33.42 H new ATOM 644 N GLN A 41 13.846 -28.717 -9.225 1.00 42.41 N ATOM 645 CA GLN A 41 14.503 -29.944 -8.789 1.00 32.21 C ATOM 646 C GLN A 41 15.688 -29.633 -7.880 1.00 10.23 C ATOM 647 O GLN A 41 16.482 -30.516 -7.557 1.00 2.54 O ATOM 648 CB GLN A 41 14.972 -30.755 -9.998 1.00 24.30 C ATOM 649 CG GLN A 41 15.935 -30.000 -10.901 1.00 23.03 C ATOM 650 CD GLN A 41 16.389 -30.825 -12.088 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.170 -31.766 -11.944 1.00 25.31 O ATOM 652 NE2 GLN A 41 15.902 -30.475 -13.274 1.00 53.52 N ATOM 0 H GLN A 41 14.204 -28.335 -10.100 1.00 42.41 H new ATOM 0 HA GLN A 41 13.779 -30.533 -8.225 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.455 -31.667 -9.648 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.102 -31.058 -10.581 1.00 24.30 H new ATOM 0 HG2 GLN A 41 15.454 -29.090 -11.259 1.00 23.03 H new ATOM 0 HG3 GLN A 41 16.806 -29.694 -10.322 1.00 23.03 H new ATOM 0 HE21 GLN A 41 15.257 -29.688 -13.348 1.00 53.52 H new ATOM 0 HE22 GLN A 41 16.173 -30.993 -14.110 1.00 53.52 H new ATOM 661 N ALA A 42 15.801 -28.373 -7.473 1.00 53.10 N ATOM 662 CA ALA A 42 16.888 -27.947 -6.600 1.00 45.11 C ATOM 663 C ALA A 42 16.464 -27.984 -5.137 1.00 30.22 C ATOM 664 O ALA A 42 17.256 -28.334 -4.261 1.00 53.42 O ATOM 665 CB ALA A 42 17.353 -26.549 -6.981 1.00 52.01 C ATOM 0 H ALA A 42 15.153 -27.630 -7.734 1.00 53.10 H new ATOM 0 HA ALA A 42 17.718 -28.642 -6.728 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.165 -26.243 -6.321 1.00 52.01 H new ATOM 0 HB2 ALA A 42 17.705 -26.551 -8.013 1.00 52.01 H new ATOM 0 HB3 ALA A 42 16.523 -25.850 -6.882 1.00 52.01 H new ATOM 671 N GLN A 43 15.212 -27.622 -4.878 1.00 44.33 N ATOM 672 CA GLN A 43 14.684 -27.614 -3.518 1.00 63.21 C ATOM 673 C GLN A 43 13.205 -27.245 -3.511 1.00 62.24 C ATOM 674 O GLN A 43 12.725 -26.544 -4.401 1.00 74.55 O ATOM 675 CB GLN A 43 15.471 -26.630 -2.649 1.00 72.12 C ATOM 676 CG GLN A 43 15.517 -27.020 -1.180 1.00 43.55 C ATOM 677 CD GLN A 43 15.819 -25.842 -0.274 1.00 74.41 C ATOM 678 OE1 GLN A 43 14.924 -25.577 0.670 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 16.844 -25.178 -0.421 1.00 50.05 N flip ATOM 0 H GLN A 43 14.544 -27.330 -5.591 1.00 44.33 H new ATOM 0 HA GLN A 43 14.791 -28.618 -3.107 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.490 -26.556 -3.029 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.025 -25.640 -2.740 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.561 -27.458 -0.894 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.276 -27.789 -1.035 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.505 -25.417 -1.160 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.033 -24.388 0.196 1.00 50.05 H new ATOM 688 N ASN A 44 12.486 -27.723 -2.500 1.00 61.24 N ATOM 689 CA ASN A 44 11.060 -27.444 -2.377 1.00 5.03 C ATOM 690 C ASN A 44 10.826 -26.059 -1.781 1.00 45.14 C ATOM 691 O ASN A 44 11.773 -25.333 -1.478 1.00 15.42 O ATOM 692 CB ASN A 44 10.383 -28.507 -1.510 1.00 2.54 C ATOM 693 CG ASN A 44 10.897 -28.500 -0.083 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.771 -27.709 0.270 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.353 -29.384 0.745 1.00 2.43 N ATOM 0 H ASN A 44 12.868 -28.305 -1.754 1.00 61.24 H new ATOM 0 HA ASN A 44 10.623 -27.469 -3.375 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.306 -28.338 -1.507 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.550 -29.491 -1.949 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.657 -29.426 1.718 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.631 -30.021 0.408 1.00 2.43 H new ATOM 702 N VAL A 45 9.557 -25.700 -1.612 1.00 44.30 N ATOM 703 CA VAL A 45 9.197 -24.404 -1.049 1.00 71.11 C ATOM 704 C VAL A 45 7.692 -24.299 -0.828 1.00 24.13 C ATOM 705 O VAL A 45 6.908 -24.969 -1.500 1.00 24.45 O ATOM 706 CB VAL A 45 9.652 -23.250 -1.963 1.00 60.41 C ATOM 707 CG1 VAL A 45 8.833 -23.228 -3.244 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.549 -21.920 -1.231 1.00 21.34 C ATOM 0 H VAL A 45 8.761 -26.289 -1.857 1.00 44.30 H new ATOM 0 HA VAL A 45 9.708 -24.322 -0.090 1.00 71.11 H new ATOM 0 HB VAL A 45 10.696 -23.412 -2.231 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.169 -22.406 -3.877 1.00 23.33 H new ATOM 0 HG12 VAL A 45 8.963 -24.171 -3.775 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.780 -23.091 -3.000 1.00 23.33 H new ATOM 0 HG21 VAL A 45 9.874 -21.115 -1.891 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.515 -21.748 -0.932 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.184 -21.942 -0.345 1.00 21.34 H new ATOM 718 N ARG A 46 7.296 -23.455 0.119 1.00 33.25 N ATOM 719 CA ARG A 46 5.885 -23.263 0.430 1.00 13.25 C ATOM 720 C ARG A 46 5.595 -21.801 0.757 1.00 35.22 C ATOM 721 O ARG A 46 5.926 -21.318 1.840 1.00 45.34 O ATOM 722 CB ARG A 46 5.475 -24.150 1.606 1.00 60.23 C ATOM 723 CG ARG A 46 6.016 -25.568 1.518 1.00 34.50 C ATOM 724 CD ARG A 46 5.440 -26.454 2.610 1.00 54.54 C ATOM 725 NE ARG A 46 3.984 -26.553 2.524 1.00 74.02 N ATOM 726 CZ ARG A 46 3.350 -27.363 1.684 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.040 -28.143 0.863 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.024 -27.395 1.665 1.00 42.44 N ATOM 0 H ARG A 46 7.933 -22.893 0.684 1.00 33.25 H new ATOM 0 HA ARG A 46 5.304 -23.544 -0.448 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.824 -23.694 2.533 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.387 -24.188 1.659 1.00 60.23 H new ATOM 0 HG2 ARG A 46 5.776 -25.990 0.542 1.00 34.50 H new ATOM 0 HG3 ARG A 46 7.103 -25.549 1.599 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.876 -27.450 2.536 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.719 -26.055 3.585 1.00 54.54 H new ATOM 0 HE ARG A 46 3.424 -25.967 3.144 1.00 74.02 H new ATOM 0 HH11 ARG A 46 5.060 -28.122 0.876 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.551 -28.764 0.219 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.490 -26.797 2.296 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.538 -28.017 1.019 1.00 42.44 H new ATOM 742 N VAL A 47 4.974 -21.101 -0.188 1.00 13.15 N ATOM 743 CA VAL A 47 4.638 -19.695 -0.001 1.00 40.55 C ATOM 744 C VAL A 47 3.268 -19.539 0.649 1.00 21.11 C ATOM 745 O VAL A 47 2.381 -20.372 0.460 1.00 40.40 O ATOM 746 CB VAL A 47 4.648 -18.933 -1.340 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.477 -17.439 -1.105 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.932 -19.217 -2.103 1.00 3.11 C ATOM 0 H VAL A 47 4.694 -21.485 -1.090 1.00 13.15 H new ATOM 0 HA VAL A 47 5.399 -19.272 0.655 1.00 40.55 H new ATOM 0 HB VAL A 47 3.809 -19.280 -1.943 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.486 -16.917 -2.062 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.528 -17.256 -0.601 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.294 -17.073 -0.484 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.923 -18.671 -3.046 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.787 -18.898 -1.507 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.008 -20.286 -2.303 1.00 3.11 H new ATOM 758 N ASP A 48 3.102 -18.467 1.416 1.00 31.11 N ATOM 759 CA ASP A 48 1.838 -18.200 2.094 1.00 72.44 C ATOM 760 C ASP A 48 1.439 -16.736 1.942 1.00 70.23 C ATOM 761 O ASP A 48 2.022 -15.853 2.574 1.00 21.40 O ATOM 762 CB ASP A 48 1.944 -18.561 3.576 1.00 33.25 C ATOM 763 CG ASP A 48 0.663 -19.166 4.117 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.067 -20.014 3.421 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.258 -18.792 5.237 1.00 32.52 O1- ATOM 0 H ASP A 48 3.826 -17.769 1.584 1.00 31.11 H new ATOM 0 HA ASP A 48 1.068 -18.818 1.632 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.763 -19.266 3.718 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.190 -17.667 4.148 1.00 33.25 H new ATOM 770 N LEU A 49 0.443 -16.484 1.100 1.00 24.33 N ATOM 771 CA LEU A 49 -0.034 -15.125 0.863 1.00 74.30 C ATOM 772 C LEU A 49 -0.971 -14.676 1.980 1.00 41.23 C ATOM 773 O LEU A 49 -1.793 -15.453 2.463 1.00 13.24 O ATOM 774 CB LEU A 49 -0.751 -15.043 -0.486 1.00 25.14 C ATOM 775 CG LEU A 49 -1.146 -13.641 -0.951 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.650 -13.390 -2.367 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.654 -13.458 -0.872 1.00 21.20 C ATOM 0 H LEU A 49 -0.050 -17.202 0.570 1.00 24.33 H new ATOM 0 HA LEU A 49 0.829 -14.459 0.848 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.107 -15.488 -1.245 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.652 -15.654 -0.434 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.677 -12.913 -0.289 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.940 -12.388 -2.682 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.436 -13.479 -2.393 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -1.090 -14.124 -3.042 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.917 -12.454 -1.207 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.144 -14.193 -1.510 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.984 -13.595 0.158 1.00 21.20 H new ATOM 789 N ASN A 50 -0.842 -13.415 2.382 1.00 2.14 N ATOM 790 CA ASN A 50 -1.680 -12.862 3.440 1.00 51.24 C ATOM 791 C ASN A 50 -2.571 -11.747 2.901 1.00 73.32 C ATOM 792 O ASN A 50 -2.132 -10.606 2.750 1.00 30.13 O ATOM 793 CB ASN A 50 -0.810 -12.329 4.580 1.00 23.52 C ATOM 794 CG ASN A 50 -0.290 -13.436 5.477 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.238 -14.600 5.079 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.096 -13.078 6.696 1.00 44.50 N ATOM 0 H ASN A 50 -0.166 -12.758 1.992 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.318 -13.660 3.820 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.032 -11.777 4.163 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.389 -11.624 5.176 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.453 -13.780 7.345 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.035 -12.101 6.984 1.00 44.50 H new ATOM 803 N ARG A 51 -3.824 -12.084 2.614 1.00 0.13 N ATOM 804 CA ARG A 51 -4.776 -11.113 2.090 1.00 51.01 C ATOM 805 C ARG A 51 -5.143 -10.084 3.156 1.00 31.24 C ATOM 806 O ARG A 51 -5.765 -9.064 2.860 1.00 2.24 O ATOM 807 CB ARG A 51 -6.039 -11.820 1.594 1.00 21.12 C ATOM 808 CG ARG A 51 -6.902 -12.380 2.712 1.00 33.14 C ATOM 809 CD ARG A 51 -7.937 -13.359 2.178 1.00 3.53 C ATOM 810 NE ARG A 51 -9.221 -12.712 1.922 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.371 -13.371 1.833 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.397 -14.688 1.979 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -11.499 -12.711 1.598 1.00 73.32 N ATOM 0 H ARG A 51 -4.203 -13.023 2.736 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.306 -10.595 1.254 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.631 -11.118 1.006 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.752 -12.632 0.926 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.270 -12.881 3.445 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.405 -11.563 3.229 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -7.568 -13.810 1.257 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.075 -14.168 2.896 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.236 -11.699 1.805 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -9.533 -15.198 2.160 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.281 -15.191 1.910 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -11.483 -11.697 1.486 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -12.382 -13.218 1.530 1.00 73.32 H new ATOM 827 N GLU A 52 -4.753 -10.359 4.397 1.00 34.15 N ATOM 828 CA GLU A 52 -5.043 -9.458 5.506 1.00 24.22 C ATOM 829 C GLU A 52 -4.229 -8.172 5.389 1.00 0.20 C ATOM 830 O GLU A 52 -4.734 -7.079 5.641 1.00 22.35 O ATOM 831 CB GLU A 52 -4.743 -10.144 6.841 1.00 52.12 C ATOM 832 CG GLU A 52 -3.316 -10.649 6.960 1.00 75.31 C ATOM 833 CD GLU A 52 -3.067 -11.397 8.255 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.399 -12.598 8.321 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.540 -10.778 9.204 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.236 -11.198 4.659 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.102 -9.203 5.466 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.940 -9.443 7.652 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.428 -10.982 6.971 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.096 -11.305 6.118 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.629 -9.805 6.895 1.00 75.31 H new ATOM 842 N THR A 53 -2.964 -8.312 5.005 1.00 23.40 N ATOM 843 CA THR A 53 -2.079 -7.164 4.855 1.00 34.31 C ATOM 844 C THR A 53 -1.443 -7.136 3.471 1.00 54.44 C ATOM 845 O THR A 53 -0.455 -6.440 3.244 1.00 31.00 O ATOM 846 CB THR A 53 -0.964 -7.172 5.919 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.104 -8.300 5.720 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.553 -7.220 7.321 1.00 32.42 C ATOM 0 H THR A 53 -2.529 -9.210 4.792 1.00 23.40 H new ATOM 0 HA THR A 53 -2.693 -6.273 4.988 1.00 34.31 H new ATOM 0 HB THR A 53 -0.388 -6.253 5.815 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.755 -8.139 6.164 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.747 -7.225 8.054 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.184 -6.345 7.481 1.00 32.42 H new ATOM 0 HG23 THR A 53 -2.151 -8.124 7.434 1.00 32.42 H new ATOM 856 N GLY A 54 -2.019 -7.897 2.545 1.00 23.41 N ATOM 857 CA GLY A 54 -1.496 -7.944 1.192 1.00 44.31 C ATOM 858 C GLY A 54 -0.017 -8.276 1.153 1.00 5.13 C ATOM 859 O GLY A 54 0.682 -7.921 0.205 1.00 74.51 O ATOM 0 H GLY A 54 -2.839 -8.482 2.708 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -2.048 -8.689 0.618 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.662 -6.982 0.708 1.00 44.31 H new ATOM 863 N SER A 55 0.462 -8.960 2.189 1.00 33.40 N ATOM 864 CA SER A 55 1.868 -9.335 2.272 1.00 75.11 C ATOM 865 C SER A 55 2.079 -10.763 1.780 1.00 63.23 C ATOM 866 O SER A 55 1.119 -11.488 1.512 1.00 45.55 O ATOM 867 CB SER A 55 2.369 -9.202 3.712 1.00 55.25 C ATOM 868 OG SER A 55 3.614 -8.527 3.758 1.00 71.01 O ATOM 0 H SER A 55 -0.103 -9.265 2.981 1.00 33.40 H new ATOM 0 HA SER A 55 2.437 -8.660 1.632 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.635 -8.659 4.307 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.471 -10.191 4.158 1.00 55.25 H new ATOM 0 HG SER A 55 3.912 -8.453 4.689 1.00 71.01 H new ATOM 874 N ILE A 56 3.342 -11.162 1.664 1.00 3.53 N ATOM 875 CA ILE A 56 3.679 -12.504 1.204 1.00 74.13 C ATOM 876 C ILE A 56 4.994 -12.978 1.813 1.00 0.40 C ATOM 877 O ILE A 56 5.926 -12.193 1.994 1.00 42.33 O ATOM 878 CB ILE A 56 3.787 -12.563 -0.331 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.631 -14.004 -0.820 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.116 -11.982 -0.791 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.241 -14.324 -1.326 1.00 3.04 C ATOM 0 H ILE A 56 4.148 -10.576 1.882 1.00 3.53 H new ATOM 0 HA ILE A 56 2.872 -13.161 1.528 1.00 74.13 H new ATOM 0 HB ILE A 56 2.983 -11.965 -0.761 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.351 -14.188 -1.618 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.878 -14.684 -0.005 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.178 -12.031 -1.878 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.190 -10.943 -0.470 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.934 -12.555 -0.355 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.204 -15.362 -1.656 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.518 -14.172 -0.524 1.00 3.04 H new ATOM 0 HD13 ILE A 56 1.998 -13.668 -2.162 1.00 3.04 H new ATOM 893 N ARG A 57 5.063 -14.268 2.126 1.00 32.14 N ATOM 894 CA ARG A 57 6.264 -14.848 2.714 1.00 64.45 C ATOM 895 C ARG A 57 6.555 -16.221 2.115 1.00 32.01 C ATOM 896 O ARG A 57 5.681 -17.088 2.071 1.00 32.22 O ATOM 897 CB ARG A 57 6.110 -14.964 4.232 1.00 61.04 C ATOM 898 CG ARG A 57 6.180 -13.629 4.955 1.00 70.51 C ATOM 899 CD ARG A 57 7.555 -12.992 4.818 1.00 15.33 C ATOM 900 NE ARG A 57 7.828 -12.042 5.893 1.00 71.31 N ATOM 901 CZ ARG A 57 7.369 -10.796 5.905 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.620 -10.351 4.906 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.661 -9.990 6.919 1.00 34.43 N ATOM 0 H ARG A 57 4.301 -14.931 1.982 1.00 32.14 H new ATOM 0 HA ARG A 57 7.102 -14.188 2.490 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.155 -15.440 4.457 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.891 -15.619 4.619 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.424 -12.955 4.551 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.948 -13.773 6.010 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.317 -13.771 4.821 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.624 -12.482 3.857 1.00 15.33 H new ATOM 0 HE ARG A 57 8.402 -12.352 6.677 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.394 -10.966 4.124 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.269 -9.393 4.919 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.238 -10.328 7.689 1.00 34.43 H new ATOM 0 HH22 ARG A 57 7.308 -9.033 6.928 1.00 34.43 H new ATOM 917 N VAL A 58 7.787 -16.412 1.654 1.00 42.34 N ATOM 918 CA VAL A 58 8.193 -17.679 1.058 1.00 43.54 C ATOM 919 C VAL A 58 9.164 -18.427 1.965 1.00 10.15 C ATOM 920 O VAL A 58 10.250 -17.935 2.269 1.00 73.04 O ATOM 921 CB VAL A 58 8.852 -17.466 -0.317 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.978 -18.788 -1.059 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.062 -16.458 -1.137 1.00 4.35 C ATOM 0 H VAL A 58 8.522 -15.705 1.682 1.00 42.34 H new ATOM 0 HA VAL A 58 7.288 -18.274 0.931 1.00 43.54 H new ATOM 0 HB VAL A 58 9.854 -17.067 -0.162 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.446 -18.618 -2.029 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.591 -19.475 -0.476 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.988 -19.219 -1.205 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.543 -16.320 -2.106 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.046 -16.825 -1.285 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.030 -15.505 -0.609 1.00 4.35 H new ATOM 933 N PHE A 59 8.765 -19.619 2.395 1.00 1.31 N ATOM 934 CA PHE A 59 9.599 -20.436 3.269 1.00 44.44 C ATOM 935 C PHE A 59 9.914 -21.780 2.618 1.00 1.24 C ATOM 936 O PHE A 59 9.121 -22.306 1.837 1.00 3.23 O ATOM 937 CB PHE A 59 8.902 -20.659 4.612 1.00 43.13 C ATOM 938 CG PHE A 59 8.517 -19.383 5.306 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.486 -18.541 5.827 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.184 -19.026 5.437 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.134 -17.367 6.466 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.826 -17.853 6.073 1.00 52.11 C ATOM 943 CZ PHE A 59 7.803 -17.022 6.590 1.00 33.22 C ATOM 0 H PHE A 59 7.869 -20.041 2.152 1.00 1.31 H new ATOM 0 HA PHE A 59 10.536 -19.904 3.437 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.007 -21.261 4.453 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.561 -21.233 5.263 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.529 -18.805 5.733 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.417 -19.672 5.037 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.900 -16.720 6.868 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.784 -17.585 6.166 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.526 -16.106 7.089 1.00 33.22 H new ATOM 953 N ALA A 60 11.078 -22.331 2.946 1.00 64.33 N ATOM 954 CA ALA A 60 11.499 -23.612 2.396 1.00 61.55 C ATOM 955 C ALA A 60 11.381 -24.721 3.436 1.00 45.11 C ATOM 956 O ALA A 60 11.813 -24.563 4.577 1.00 31.21 O ATOM 957 CB ALA A 60 12.928 -23.522 1.878 1.00 21.41 C ATOM 0 H ALA A 60 11.746 -21.909 3.591 1.00 64.33 H new ATOM 0 HA ALA A 60 10.838 -23.856 1.565 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.229 -24.487 1.470 1.00 21.41 H new ATOM 0 HB2 ALA A 60 12.985 -22.764 1.097 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.595 -23.250 2.696 1.00 21.41 H new ATOM 963 N ARG A 61 10.791 -25.843 3.034 1.00 41.23 N ATOM 964 CA ARG A 61 10.615 -26.978 3.932 1.00 72.14 C ATOM 965 C ARG A 61 11.779 -27.957 3.806 1.00 20.13 C ATOM 966 O ARG A 61 12.035 -28.499 2.731 1.00 1.01 O ATOM 967 CB ARG A 61 9.297 -27.694 3.629 1.00 64.24 C ATOM 968 CG ARG A 61 8.779 -28.530 4.789 1.00 32.03 C ATOM 969 CD ARG A 61 7.336 -28.954 4.567 1.00 70.43 C ATOM 970 NE ARG A 61 7.219 -29.979 3.533 1.00 4.21 N ATOM 971 CZ ARG A 61 6.057 -30.434 3.078 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.918 -29.959 3.565 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.032 -31.368 2.136 1.00 24.30 N ATOM 0 H ARG A 61 10.427 -25.990 2.092 1.00 41.23 H new ATOM 0 HA ARG A 61 10.590 -26.601 4.954 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.544 -26.953 3.361 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.434 -28.338 2.760 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.405 -29.414 4.910 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.853 -27.958 5.714 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.922 -29.333 5.501 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.742 -28.085 4.284 1.00 70.43 H new ATOM 0 HE ARG A 61 8.076 -30.366 3.139 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.933 -29.242 4.291 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.027 -30.310 3.214 1.00 71.04 H new ATOM 0 HH21 ARG A 61 6.906 -31.737 1.761 1.00 24.30 H new ATOM 0 HH22 ARG A 61 5.139 -31.717 1.787 1.00 24.30 H new ATOM 987 N LYS A 62 12.480 -28.179 4.913 1.00 10.33 N ATOM 988 CA LYS A 62 13.616 -29.092 4.929 1.00 21.43 C ATOM 989 C LYS A 62 13.341 -30.288 5.836 1.00 75.40 C ATOM 990 O LYS A 62 12.826 -30.132 6.944 1.00 2.42 O ATOM 991 CB LYS A 62 14.877 -28.363 5.397 1.00 43.22 C ATOM 992 CG LYS A 62 15.614 -27.643 4.281 1.00 41.54 C ATOM 993 CD LYS A 62 16.502 -26.535 4.822 1.00 43.23 C ATOM 994 CE LYS A 62 17.489 -26.050 3.772 1.00 43.44 C ATOM 995 NZ LYS A 62 18.553 -25.192 4.365 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.281 -27.739 5.811 1.00 10.33 H new ATOM 0 HA LYS A 62 13.771 -29.456 3.913 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.604 -27.640 6.166 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.551 -29.083 5.861 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.221 -28.357 3.725 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.893 -27.223 3.580 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.884 -25.701 5.154 1.00 43.23 H new ATOM 0 HD3 LYS A 62 17.046 -26.896 5.695 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.947 -26.908 3.280 1.00 43.44 H new ATOM 0 HE3 LYS A 62 16.956 -25.489 3.004 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.206 -24.882 3.617 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.119 -24.360 4.813 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 19.078 -25.735 5.080 1.00 24.24 H new ATOM 1009 N ASP A 63 13.686 -31.478 5.360 1.00 23.54 N ATOM 1010 CA ASP A 63 13.479 -32.699 6.130 1.00 42.41 C ATOM 1011 C ASP A 63 14.493 -32.805 7.265 1.00 73.33 C ATOM 1012 O ASP A 63 15.691 -32.958 7.028 1.00 62.32 O ATOM 1013 CB ASP A 63 13.583 -33.925 5.220 1.00 73.01 C ATOM 1014 CG ASP A 63 12.369 -34.826 5.322 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.322 -35.655 6.255 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.464 -34.702 4.470 1.00 60.22 O1- ATOM 0 H ASP A 63 14.111 -31.624 4.444 1.00 23.54 H new ATOM 0 HA ASP A 63 12.479 -32.661 6.563 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.703 -33.598 4.187 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.476 -34.493 5.481 1.00 73.01 H new ATOM 1021 N VAL A 64 14.003 -32.722 8.498 1.00 22.25 N ATOM 1022 CA VAL A 64 14.865 -32.808 9.670 1.00 63.30 C ATOM 1023 C VAL A 64 15.366 -34.233 9.880 1.00 51.12 C ATOM 1024 O VAL A 64 14.586 -35.143 10.157 1.00 75.14 O ATOM 1025 CB VAL A 64 14.133 -32.341 10.942 1.00 43.02 C ATOM 1026 CG1 VAL A 64 15.085 -32.316 12.128 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.504 -30.973 10.722 1.00 14.04 C ATOM 0 H VAL A 64 13.013 -32.595 8.711 1.00 22.25 H new ATOM 0 HA VAL A 64 15.714 -32.150 9.487 1.00 63.30 H new ATOM 0 HB VAL A 64 13.336 -33.051 11.163 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.550 -31.984 13.017 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.482 -33.317 12.297 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.906 -31.630 11.921 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.991 -30.658 11.631 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.282 -30.250 10.476 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.788 -31.029 9.902 1.00 14.04 H new ATOM 1037 N VAL A 65 16.676 -34.420 9.745 1.00 11.54 N ATOM 1038 CA VAL A 65 17.283 -35.734 9.922 1.00 13.21 C ATOM 1039 C VAL A 65 18.649 -35.622 10.591 1.00 31.21 C ATOM 1040 O VAL A 65 19.343 -34.617 10.446 1.00 25.11 O ATOM 1041 CB VAL A 65 17.441 -36.464 8.575 1.00 54.34 C ATOM 1042 CG1 VAL A 65 16.084 -36.891 8.036 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.168 -35.581 7.572 1.00 31.51 C ATOM 0 H VAL A 65 17.337 -33.678 9.514 1.00 11.54 H new ATOM 0 HA VAL A 65 16.614 -36.309 10.562 1.00 13.21 H new ATOM 0 HB VAL A 65 18.040 -37.360 8.736 1.00 54.34 H new ATOM 0 HG11 VAL A 65 16.216 -37.405 7.084 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.605 -37.563 8.748 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.457 -36.011 7.889 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.271 -36.113 6.626 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.598 -34.665 7.413 1.00 31.51 H new ATOM 0 HG23 VAL A 65 19.157 -35.331 7.957 1.00 31.51 H new ATOM 1053 N ASP A 66 19.027 -36.664 11.324 1.00 62.52 N ATOM 1054 CA ASP A 66 20.312 -36.684 12.015 1.00 23.33 C ATOM 1055 C ASP A 66 21.456 -36.409 11.044 1.00 21.04 C ATOM 1056 O ASP A 66 22.458 -35.795 11.409 1.00 0.24 O ATOM 1057 CB ASP A 66 20.523 -38.035 12.703 1.00 11.32 C ATOM 1058 CG ASP A 66 21.696 -38.017 13.663 1.00 10.50 C ATOM 1059 OD1 ASP A 66 22.288 -36.936 13.858 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 22.021 -39.086 14.221 1.00 32.13 O ATOM 0 H ASP A 66 18.464 -37.504 11.455 1.00 62.52 H new ATOM 0 HA ASP A 66 20.304 -35.897 12.770 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.618 -38.309 13.245 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.687 -38.803 11.947 1.00 11.32 H new ATOM 1065 N GLU A 67 21.299 -36.871 9.807 1.00 15.03 N ATOM 1066 CA GLU A 67 22.321 -36.675 8.785 1.00 31.11 C ATOM 1067 C GLU A 67 21.685 -36.415 7.423 1.00 50.23 C ATOM 1068 O GLU A 67 20.678 -37.029 7.067 1.00 63.43 O ATOM 1069 CB GLU A 67 23.237 -37.898 8.708 1.00 55.42 C ATOM 1070 CG GLU A 67 23.851 -38.285 10.043 1.00 72.25 C ATOM 1071 CD GLU A 67 24.864 -39.406 9.915 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.447 -40.560 9.682 1.00 71.05 O ATOM 1073 OE2 GLU A 67 26.075 -39.130 10.049 1.00 25.33 O1- ATOM 0 H GLU A 67 20.476 -37.382 9.489 1.00 15.03 H new ATOM 0 HA GLU A 67 22.914 -35.803 9.062 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.668 -38.743 8.321 1.00 55.42 H new ATOM 0 HB3 GLU A 67 24.036 -37.698 7.995 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.334 -37.413 10.483 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.060 -38.591 10.728 1.00 72.25 H new ATOM 1080 N VAL A 68 22.279 -35.500 6.664 1.00 15.43 N ATOM 1081 CA VAL A 68 21.772 -35.158 5.340 1.00 65.11 C ATOM 1082 C VAL A 68 21.595 -36.404 4.480 1.00 4.00 C ATOM 1083 O VAL A 68 22.556 -37.127 4.211 1.00 42.11 O ATOM 1084 CB VAL A 68 22.712 -34.176 4.615 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.197 -33.879 3.215 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.865 -32.893 5.419 1.00 63.52 C ATOM 0 H VAL A 68 23.112 -34.982 6.943 1.00 15.43 H new ATOM 0 HA VAL A 68 20.803 -34.681 5.486 1.00 65.11 H new ATOM 0 HB VAL A 68 23.694 -34.640 4.524 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.874 -33.184 2.718 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.144 -34.805 2.643 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.204 -33.435 3.279 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.532 -32.211 4.892 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.889 -32.423 5.543 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.283 -33.125 6.399 1.00 63.52 H new ATOM 1096 N TYR A 69 20.363 -36.650 4.052 1.00 32.10 N ATOM 1097 CA TYR A 69 20.059 -37.810 3.223 1.00 32.14 C ATOM 1098 C TYR A 69 19.575 -37.382 1.842 1.00 61.22 C ATOM 1099 O TYR A 69 19.707 -38.123 0.867 1.00 10.20 O ATOM 1100 CB TYR A 69 18.999 -38.683 3.899 1.00 62.24 C ATOM 1101 CG TYR A 69 19.573 -39.878 4.626 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.680 -39.747 5.455 1.00 23.33 C ATOM 1103 CD2 TYR A 69 19.006 -41.139 4.485 1.00 73.44 C ATOM 1104 CE1 TYR A 69 21.207 -40.836 6.121 1.00 60.10 C ATOM 1105 CE2 TYR A 69 19.527 -42.234 5.148 1.00 1.01 C ATOM 1106 CZ TYR A 69 20.628 -42.077 5.964 1.00 34.24 C ATOM 1107 OH TYR A 69 21.149 -43.165 6.626 1.00 60.13 O ATOM 0 H TYR A 69 19.558 -36.062 4.265 1.00 32.10 H new ATOM 0 HA TYR A 69 20.975 -38.388 3.104 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.436 -38.074 4.606 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.293 -39.031 3.145 1.00 62.24 H new ATOM 0 HD1 TYR A 69 21.137 -38.776 5.581 1.00 23.33 H new ATOM 0 HD2 TYR A 69 18.144 -41.265 3.847 1.00 73.44 H new ATOM 0 HE1 TYR A 69 22.068 -40.716 6.761 1.00 60.10 H new ATOM 0 HE2 TYR A 69 19.075 -43.207 5.028 1.00 1.01 H new ATOM 0 HH TYR A 69 20.624 -43.963 6.408 1.00 60.13 H new ATOM 1117 N ASP A 70 19.013 -36.180 1.765 1.00 20.02 N ATOM 1118 CA ASP A 70 18.510 -35.650 0.503 1.00 33.31 C ATOM 1119 C ASP A 70 19.270 -34.389 0.102 1.00 24.14 C ATOM 1120 O ASP A 70 19.002 -33.303 0.616 1.00 24.10 O ATOM 1121 CB ASP A 70 17.015 -35.347 0.613 1.00 13.03 C ATOM 1122 CG ASP A 70 16.155 -36.513 0.168 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.709 -37.611 -0.048 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.926 -36.328 0.035 1.00 62.25 O1- ATOM 0 H ASP A 70 18.894 -35.555 2.562 1.00 20.02 H new ATOM 0 HA ASP A 70 18.664 -36.405 -0.268 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.773 -35.094 1.645 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.779 -34.473 0.007 1.00 13.03 H new ATOM 1129 N GLN A 71 20.217 -34.542 -0.817 1.00 45.13 N ATOM 1130 CA GLN A 71 21.017 -33.415 -1.284 1.00 73.34 C ATOM 1131 C GLN A 71 20.125 -32.312 -1.847 1.00 44.25 C ATOM 1132 O GLN A 71 20.515 -31.146 -1.888 1.00 55.10 O ATOM 1133 CB GLN A 71 22.012 -33.876 -2.351 1.00 71.25 C ATOM 1134 CG GLN A 71 23.192 -32.934 -2.529 1.00 52.44 C ATOM 1135 CD GLN A 71 23.995 -32.757 -1.256 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.106 -31.650 -0.727 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.562 -33.848 -0.756 1.00 51.40 N ATOM 0 H GLN A 71 20.450 -35.434 -1.253 1.00 45.13 H new ATOM 0 HA GLN A 71 21.567 -33.014 -0.433 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.384 -34.865 -2.086 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.491 -33.976 -3.303 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.843 -33.318 -3.314 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.829 -31.962 -2.863 1.00 52.44 H new ATOM 0 HE21 GLN A 71 24.444 -34.745 -1.227 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.115 -33.789 0.099 1.00 51.40 H new ATOM 1146 N ARG A 72 18.927 -32.690 -2.280 1.00 4.45 N ATOM 1147 CA ARG A 72 17.981 -31.733 -2.842 1.00 31.14 C ATOM 1148 C ARG A 72 17.458 -30.788 -1.763 1.00 3.13 C ATOM 1149 O ARG A 72 17.337 -29.583 -1.985 1.00 25.45 O ATOM 1150 CB ARG A 72 16.812 -32.466 -3.503 1.00 14.31 C ATOM 1151 CG ARG A 72 16.074 -33.406 -2.563 1.00 43.23 C ATOM 1152 CD ARG A 72 15.011 -34.208 -3.299 1.00 44.31 C ATOM 1153 NE ARG A 72 14.437 -35.256 -2.460 1.00 31.03 N ATOM 1154 CZ ARG A 72 13.551 -36.144 -2.896 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.139 -36.111 -4.156 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 13.075 -37.068 -2.071 1.00 72.31 N ATOM 0 H ARG A 72 18.588 -33.652 -2.253 1.00 4.45 H new ATOM 0 HA ARG A 72 18.504 -31.144 -3.595 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.109 -31.732 -3.895 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.186 -33.036 -4.354 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.785 -34.086 -2.094 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.608 -32.831 -1.763 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.219 -33.538 -3.635 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.448 -34.657 -4.191 1.00 44.31 H new ATOM 0 HE ARG A 72 14.733 -35.309 -1.485 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.503 -35.402 -4.793 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.458 -36.794 -4.488 1.00 20.14 H new ATOM 0 HH21 ARG A 72 13.390 -37.097 -1.101 1.00 72.31 H new ATOM 0 HH22 ARG A 72 12.395 -37.750 -2.407 1.00 72.31 H new ATOM 1170 N LEU A 73 17.148 -31.344 -0.598 1.00 3.20 N ATOM 1171 CA LEU A 73 16.638 -30.552 0.516 1.00 51.45 C ATOM 1172 C LEU A 73 16.669 -31.352 1.814 1.00 42.22 C ATOM 1173 O LEU A 73 16.054 -32.413 1.914 1.00 32.31 O ATOM 1174 CB LEU A 73 15.209 -30.087 0.224 1.00 24.54 C ATOM 1175 CG LEU A 73 14.151 -31.188 0.134 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.335 -31.247 1.416 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.246 -30.960 -1.067 1.00 14.14 C ATOM 0 H LEU A 73 17.241 -32.340 -0.400 1.00 3.20 H new ATOM 0 HA LEU A 73 17.281 -29.680 0.634 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.910 -29.386 1.003 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.212 -29.536 -0.716 1.00 24.54 H new ATOM 0 HG LEU A 73 14.657 -32.145 0.005 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.587 -32.036 1.335 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.995 -31.458 2.258 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.838 -30.290 1.575 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.499 -31.753 -1.116 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.746 -29.996 -0.968 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.843 -30.967 -1.979 1.00 14.14 H new ATOM 1189 N GLU A 74 17.388 -30.835 2.805 1.00 52.14 N ATOM 1190 CA GLU A 74 17.498 -31.501 4.097 1.00 53.33 C ATOM 1191 C GLU A 74 18.011 -30.539 5.164 1.00 31.14 C ATOM 1192 O GLU A 74 18.530 -29.467 4.850 1.00 54.40 O ATOM 1193 CB GLU A 74 18.431 -32.711 3.994 1.00 34.50 C ATOM 1194 CG GLU A 74 17.989 -33.893 4.841 1.00 5.55 C ATOM 1195 CD GLU A 74 17.041 -34.818 4.102 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.979 -34.341 3.650 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.361 -36.018 3.976 1.00 54.12 O1- ATOM 0 H GLU A 74 17.903 -29.957 2.738 1.00 52.14 H new ATOM 0 HA GLU A 74 16.504 -31.841 4.387 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.493 -33.024 2.952 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.435 -32.412 4.297 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.867 -34.456 5.158 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.502 -33.526 5.744 1.00 5.55 H new ATOM 1204 N ILE A 75 17.864 -30.930 6.425 1.00 62.14 N ATOM 1205 CA ILE A 75 18.312 -30.102 7.538 1.00 30.31 C ATOM 1206 C ILE A 75 18.726 -30.961 8.729 1.00 75.04 C ATOM 1207 O ILE A 75 17.961 -31.807 9.192 1.00 14.04 O ATOM 1208 CB ILE A 75 17.216 -29.117 7.986 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.684 -28.318 9.203 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.928 -29.865 8.301 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.425 -26.831 9.086 1.00 31.35 C ATOM 0 H ILE A 75 17.438 -31.815 6.702 1.00 62.14 H new ATOM 0 HA ILE A 75 19.173 -29.536 7.183 1.00 30.31 H new ATOM 0 HB ILE A 75 17.020 -28.420 7.171 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.181 -28.697 10.092 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.752 -28.482 9.347 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.163 -29.155 8.616 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.588 -30.394 7.411 1.00 62.41 H new ATOM 0 HG23 ILE A 75 16.110 -30.582 9.102 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.782 -26.328 9.984 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.951 -26.437 8.216 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.355 -26.656 8.973 1.00 31.35 H new ATOM 1223 N SER A 76 19.940 -30.735 9.222 1.00 72.03 N ATOM 1224 CA SER A 76 20.456 -31.488 10.359 1.00 2.32 C ATOM 1225 C SER A 76 19.649 -31.191 11.619 1.00 11.44 C ATOM 1226 O SER A 76 19.283 -30.044 11.878 1.00 13.53 O ATOM 1227 CB SER A 76 21.931 -31.154 10.591 1.00 63.42 C ATOM 1228 OG SER A 76 22.070 -29.946 11.320 1.00 63.00 O ATOM 0 H SER A 76 20.584 -30.036 8.852 1.00 72.03 H new ATOM 0 HA SER A 76 20.363 -32.550 10.133 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.411 -31.968 11.134 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.443 -31.065 9.633 1.00 63.42 H new ATOM 0 HG SER A 76 23.010 -29.670 11.320 1.00 63.00 H new ATOM 1234 N ILE A 77 19.378 -32.232 12.399 1.00 32.21 N ATOM 1235 CA ILE A 77 18.617 -32.083 13.633 1.00 42.24 C ATOM 1236 C ILE A 77 19.211 -30.992 14.518 1.00 3.30 C ATOM 1237 O ILE A 77 18.484 -30.262 15.191 1.00 62.34 O ATOM 1238 CB ILE A 77 18.568 -33.402 14.427 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.731 -33.228 15.696 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.975 -33.864 14.774 1.00 44.33 C ATOM 1241 CD1 ILE A 77 16.297 -32.833 15.424 1.00 2.10 C ATOM 0 H ILE A 77 19.674 -33.187 12.198 1.00 32.21 H new ATOM 0 HA ILE A 77 17.603 -31.803 13.346 1.00 42.24 H new ATOM 0 HB ILE A 77 18.099 -34.165 13.806 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.742 -34.161 16.259 1.00 61.14 H new ATOM 0 HG13 ILE A 77 18.195 -32.470 16.326 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.924 -34.797 15.335 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.542 -34.023 13.857 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.469 -33.104 15.379 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.763 -32.727 16.369 1.00 2.10 H new ATOM 0 HD12 ILE A 77 16.276 -31.884 14.888 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.816 -33.602 14.820 1.00 2.10 H new ATOM 1253 N GLU A 78 20.535 -30.887 14.508 1.00 30.11 N ATOM 1254 CA GLU A 78 21.227 -29.883 15.308 1.00 0.34 C ATOM 1255 C GLU A 78 21.023 -28.487 14.726 1.00 42.21 C ATOM 1256 O GLU A 78 20.996 -27.497 15.457 1.00 45.21 O ATOM 1257 CB GLU A 78 22.721 -30.201 15.387 1.00 12.10 C ATOM 1258 CG GLU A 78 23.412 -30.219 14.034 1.00 52.02 C ATOM 1259 CD GLU A 78 24.787 -30.857 14.088 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.955 -31.842 14.837 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.694 -30.370 13.381 1.00 44.14 O ATOM 0 H GLU A 78 21.150 -31.484 13.955 1.00 30.11 H new ATOM 0 HA GLU A 78 20.805 -29.904 16.313 1.00 0.34 H new ATOM 0 HB2 GLU A 78 23.208 -29.463 16.024 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.852 -31.171 15.866 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.792 -30.762 13.321 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.504 -29.198 13.664 1.00 52.02 H new ATOM 1268 N GLU A 79 20.882 -28.418 13.406 1.00 34.12 N ATOM 1269 CA GLU A 79 20.682 -27.143 12.726 1.00 41.22 C ATOM 1270 C GLU A 79 19.332 -26.537 13.092 1.00 73.11 C ATOM 1271 O GLU A 79 19.247 -25.372 13.480 1.00 3.25 O ATOM 1272 CB GLU A 79 20.776 -27.329 11.210 1.00 40.51 C ATOM 1273 CG GLU A 79 20.529 -26.053 10.423 1.00 71.40 C ATOM 1274 CD GLU A 79 20.556 -26.277 8.924 1.00 23.32 C ATOM 1275 OE1 GLU A 79 21.069 -27.329 8.490 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 20.063 -25.399 8.185 1.00 25.22 O ATOM 0 H GLU A 79 20.902 -29.228 12.787 1.00 34.12 H new ATOM 0 HA GLU A 79 21.467 -26.460 13.051 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.765 -27.714 10.960 1.00 40.51 H new ATOM 0 HB3 GLU A 79 20.053 -28.083 10.900 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.562 -25.637 10.707 1.00 71.40 H new ATOM 0 HG3 GLU A 79 21.285 -25.314 10.690 1.00 71.40 H new ATOM 1283 N ALA A 80 18.277 -27.335 12.966 1.00 23.40 N ATOM 1284 CA ALA A 80 16.930 -26.879 13.284 1.00 41.12 C ATOM 1285 C ALA A 80 16.855 -26.340 14.710 1.00 13.05 C ATOM 1286 O ALA A 80 16.127 -25.388 14.984 1.00 13.31 O ATOM 1287 CB ALA A 80 15.929 -28.009 13.093 1.00 63.34 C ATOM 0 H ALA A 80 18.330 -28.302 12.645 1.00 23.40 H new ATOM 0 HA ALA A 80 16.679 -26.067 12.601 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.928 -27.653 13.334 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.954 -28.346 12.057 1.00 63.34 H new ATOM 0 HB3 ALA A 80 16.187 -28.839 13.751 1.00 63.34 H new ATOM 1293 N GLN A 81 17.613 -26.958 15.610 1.00 53.33 N ATOM 1294 CA GLN A 81 17.631 -26.540 17.008 1.00 55.10 C ATOM 1295 C GLN A 81 18.247 -25.153 17.153 1.00 65.05 C ATOM 1296 O GLN A 81 17.962 -24.433 18.108 1.00 13.14 O ATOM 1297 CB GLN A 81 18.410 -27.549 17.853 1.00 55.14 C ATOM 1298 CG GLN A 81 17.693 -28.877 18.030 1.00 15.04 C ATOM 1299 CD GLN A 81 18.465 -29.844 18.906 1.00 74.24 C ATOM 1300 OE1 GLN A 81 19.412 -29.459 19.592 1.00 60.45 O ATOM 1301 NE2 GLN A 81 18.062 -31.110 18.888 1.00 12.11 N ATOM 0 H GLN A 81 18.222 -27.748 15.397 1.00 53.33 H new ATOM 0 HA GLN A 81 16.601 -26.498 17.363 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.379 -27.728 17.388 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.603 -27.116 18.835 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.711 -28.700 18.469 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.529 -29.330 17.052 1.00 15.04 H new ATOM 0 HE21 GLN A 81 17.272 -31.386 18.304 1.00 12.11 H new ATOM 0 HE22 GLN A 81 18.543 -31.806 19.458 1.00 12.11 H new ATOM 1310 N GLY A 82 19.095 -24.783 16.197 1.00 10.33 N ATOM 1311 CA GLY A 82 19.738 -23.484 16.238 1.00 0.41 C ATOM 1312 C GLY A 82 18.740 -22.343 16.268 1.00 3.45 C ATOM 1313 O GLY A 82 18.967 -21.328 16.927 1.00 20.11 O ATOM 0 H GLY A 82 19.347 -25.361 15.395 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.377 -23.426 17.119 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.384 -23.374 15.367 1.00 0.41 H new ATOM 1317 N ILE A 83 17.634 -22.508 15.550 1.00 31.40 N ATOM 1318 CA ILE A 83 16.600 -21.484 15.496 1.00 1.12 C ATOM 1319 C ILE A 83 15.359 -21.913 16.273 1.00 73.35 C ATOM 1320 O ILE A 83 14.575 -21.078 16.725 1.00 13.12 O ATOM 1321 CB ILE A 83 16.197 -21.165 14.045 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.531 -22.382 13.399 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.413 -20.731 13.240 1.00 22.22 C ATOM 1324 CD1 ILE A 83 15.084 -22.141 11.974 1.00 2.43 C ATOM 0 H ILE A 83 17.432 -23.341 14.998 1.00 31.40 H new ATOM 0 HA ILE A 83 17.021 -20.588 15.953 1.00 1.12 H new ATOM 0 HB ILE A 83 15.480 -20.344 14.055 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.229 -23.219 13.416 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.668 -22.674 13.997 1.00 4.34 H new ATOM 0 HG21 ILE A 83 17.111 -20.509 12.216 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.849 -19.840 13.691 1.00 22.22 H new ATOM 0 HG23 ILE A 83 18.151 -21.533 13.235 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.621 -23.046 11.580 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.362 -21.325 11.952 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.947 -21.879 11.362 1.00 2.43 H new ATOM 1336 N HIS A 84 15.189 -23.223 16.427 1.00 63.03 N ATOM 1337 CA HIS A 84 14.045 -23.765 17.153 1.00 54.51 C ATOM 1338 C HIS A 84 14.354 -25.158 17.691 1.00 12.33 C ATOM 1339 O HIS A 84 14.267 -26.159 16.978 1.00 53.42 O ATOM 1340 CB HIS A 84 12.817 -23.817 16.244 1.00 32.52 C ATOM 1341 CG HIS A 84 11.557 -23.360 16.912 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.243 -23.668 18.218 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.531 -22.609 16.447 1.00 40.41 C ATOM 1344 CE1 HIS A 84 10.077 -23.130 18.528 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.624 -22.481 17.470 1.00 13.00 N ATOM 0 H HIS A 84 15.828 -23.928 16.059 1.00 63.03 H new ATOM 0 HA HIS A 84 13.836 -23.107 17.997 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.999 -23.197 15.366 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.681 -24.839 15.890 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.442 -22.189 15.456 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.579 -23.207 19.483 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.744 -21.968 17.421 1.00 13.00 H new ATOM 1353 N PRO A 85 14.724 -25.227 18.979 1.00 51.33 N ATOM 1354 CA PRO A 85 15.053 -26.493 19.641 1.00 21.45 C ATOM 1355 C PRO A 85 13.828 -27.377 19.843 1.00 1.12 C ATOM 1356 O PRO A 85 13.946 -28.530 20.259 1.00 55.23 O ATOM 1357 CB PRO A 85 15.623 -26.049 20.991 1.00 54.51 C ATOM 1358 CG PRO A 85 15.011 -24.714 21.238 1.00 23.33 C ATOM 1359 CD PRO A 85 14.848 -24.075 19.886 1.00 35.21 C ATOM 0 HA PRO A 85 15.742 -27.096 19.050 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.366 -26.755 21.781 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.711 -25.987 20.961 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.049 -24.813 21.741 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.647 -24.107 21.882 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.966 -23.436 19.847 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.705 -23.452 19.630 1.00 35.21 H new ATOM 1367 N GLU A 86 12.653 -26.829 19.548 1.00 11.24 N ATOM 1368 CA GLU A 86 11.406 -27.570 19.700 1.00 2.30 C ATOM 1369 C GLU A 86 11.257 -28.614 18.597 1.00 54.33 C ATOM 1370 O GLU A 86 10.483 -29.563 18.727 1.00 72.01 O ATOM 1371 CB GLU A 86 10.213 -26.613 19.676 1.00 32.11 C ATOM 1372 CG GLU A 86 10.042 -25.822 20.962 1.00 10.02 C ATOM 1373 CD GLU A 86 9.664 -26.698 22.141 1.00 32.22 C ATOM 1374 OE1 GLU A 86 9.070 -27.773 21.915 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 9.961 -26.308 23.289 1.00 32.50 O ATOM 0 H GLU A 86 12.539 -25.876 19.203 1.00 11.24 H new ATOM 0 HA GLU A 86 11.432 -28.083 20.661 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.332 -25.918 18.845 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.304 -27.184 19.487 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.970 -25.297 21.187 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.274 -25.063 20.817 1.00 10.02 H new ATOM 1382 N TYR A 87 12.001 -28.432 17.512 1.00 13.33 N ATOM 1383 CA TYR A 87 11.950 -29.355 16.385 1.00 62.40 C ATOM 1384 C TYR A 87 12.300 -30.773 16.826 1.00 30.01 C ATOM 1385 O TYR A 87 12.607 -31.014 17.993 1.00 64.21 O ATOM 1386 CB TYR A 87 12.908 -28.901 15.283 1.00 41.24 C ATOM 1387 CG TYR A 87 12.388 -27.736 14.471 1.00 51.15 C ATOM 1388 CD1 TYR A 87 11.078 -27.716 14.008 1.00 4.14 C ATOM 1389 CD2 TYR A 87 13.208 -26.656 14.166 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.599 -26.654 13.265 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.737 -25.589 13.425 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.432 -25.593 12.977 1.00 73.33 C ATOM 1393 OH TYR A 87 10.960 -24.533 12.237 1.00 33.41 O ATOM 0 H TYR A 87 12.647 -27.653 17.389 1.00 13.33 H new ATOM 0 HA TYR A 87 10.932 -29.356 15.995 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.861 -28.623 15.733 1.00 41.24 H new ATOM 0 HB3 TYR A 87 13.104 -29.740 14.615 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.423 -28.545 14.233 1.00 4.14 H new ATOM 0 HD2 TYR A 87 14.230 -26.651 14.514 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.578 -26.655 12.912 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.387 -24.757 13.198 1.00 41.22 H new ATOM 0 HH TYR A 87 11.522 -23.746 12.397 1.00 33.41 H new ATOM 1403 N MET A 88 12.251 -31.708 15.884 1.00 30.33 N ATOM 1404 CA MET A 88 12.565 -33.103 16.173 1.00 15.53 C ATOM 1405 C MET A 88 12.792 -33.888 14.886 1.00 10.42 C ATOM 1406 O MET A 88 12.178 -33.604 13.857 1.00 24.25 O ATOM 1407 CB MET A 88 11.435 -33.744 16.982 1.00 14.22 C ATOM 1408 CG MET A 88 11.826 -35.060 17.635 1.00 4.24 C ATOM 1409 SD MET A 88 11.533 -35.067 19.414 1.00 21.05 S ATOM 1410 CE MET A 88 13.018 -34.259 20.006 1.00 34.51 C ATOM 0 H MET A 88 11.997 -31.526 14.913 1.00 30.33 H new ATOM 0 HA MET A 88 13.483 -33.129 16.759 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.111 -33.046 17.755 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.580 -33.913 16.327 1.00 14.22 H new ATOM 0 HG2 MET A 88 11.262 -35.871 17.175 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.881 -35.257 17.444 1.00 4.24 H new ATOM 0 HE1 MET A 88 12.985 -34.188 21.093 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.891 -34.838 19.706 1.00 34.51 H new ATOM 0 HE3 MET A 88 13.082 -33.258 19.579 1.00 34.51 H new ATOM 1420 N VAL A 89 13.680 -34.875 14.949 1.00 2.14 N ATOM 1421 CA VAL A 89 13.989 -35.702 13.788 1.00 32.25 C ATOM 1422 C VAL A 89 12.718 -36.257 13.157 1.00 31.51 C ATOM 1423 O VAL A 89 11.947 -36.964 13.805 1.00 22.02 O ATOM 1424 CB VAL A 89 14.918 -36.872 14.163 1.00 43.25 C ATOM 1425 CG1 VAL A 89 15.207 -37.735 12.945 1.00 5.33 C ATOM 1426 CG2 VAL A 89 16.208 -36.351 14.777 1.00 64.13 C ATOM 0 H VAL A 89 14.198 -35.122 15.792 1.00 2.14 H new ATOM 0 HA VAL A 89 14.499 -35.061 13.068 1.00 32.25 H new ATOM 0 HB VAL A 89 14.414 -37.491 14.905 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.865 -38.556 13.229 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.272 -38.137 12.554 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.691 -37.131 12.178 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.853 -37.191 15.036 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.719 -35.709 14.060 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.978 -35.779 15.676 1.00 64.13 H new ATOM 1436 N GLY A 90 12.506 -35.936 11.884 1.00 61.31 N ATOM 1437 CA GLY A 90 11.327 -36.412 11.185 1.00 5.34 C ATOM 1438 C GLY A 90 10.337 -35.301 10.896 1.00 73.20 C ATOM 1439 O GLY A 90 9.468 -35.444 10.034 1.00 73.05 O ATOM 0 H GLY A 90 13.130 -35.355 11.325 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.628 -36.879 10.247 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.840 -37.182 11.783 1.00 5.34 H new ATOM 1443 N ASP A 91 10.463 -34.194 11.619 1.00 14.12 N ATOM 1444 CA ASP A 91 9.571 -33.055 11.437 1.00 22.15 C ATOM 1445 C ASP A 91 10.019 -32.198 10.257 1.00 32.31 C ATOM 1446 O ASP A 91 10.908 -32.583 9.498 1.00 53.31 O ATOM 1447 CB ASP A 91 9.524 -32.209 12.709 1.00 12.13 C ATOM 1448 CG ASP A 91 8.106 -31.905 13.151 1.00 44.21 C ATOM 1449 OD1 ASP A 91 7.462 -32.799 13.739 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.640 -30.772 12.908 1.00 3.14 O ATOM 0 H ASP A 91 11.175 -34.061 12.337 1.00 14.12 H new ATOM 0 HA ASP A 91 8.572 -33.437 11.227 1.00 22.15 H new ATOM 0 HB2 ASP A 91 10.046 -32.733 13.510 1.00 12.13 H new ATOM 0 HB3 ASP A 91 10.057 -31.273 12.539 1.00 12.13 H new ATOM 1455 N VAL A 92 9.394 -31.034 10.108 1.00 31.51 N ATOM 1456 CA VAL A 92 9.728 -30.122 9.020 1.00 42.33 C ATOM 1457 C VAL A 92 10.023 -28.722 9.547 1.00 75.52 C ATOM 1458 O VAL A 92 9.391 -28.259 10.497 1.00 53.31 O ATOM 1459 CB VAL A 92 8.588 -30.040 7.987 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.548 -31.300 7.136 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.254 -29.813 8.683 1.00 61.45 C ATOM 0 H VAL A 92 8.654 -30.701 10.726 1.00 31.51 H new ATOM 0 HA VAL A 92 10.620 -30.520 8.536 1.00 42.33 H new ATOM 0 HB VAL A 92 8.777 -29.192 7.329 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.737 -31.224 6.412 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.495 -31.413 6.609 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.383 -32.167 7.776 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.460 -29.758 7.938 1.00 61.45 H new ATOM 0 HG22 VAL A 92 7.054 -30.639 9.365 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.291 -28.879 9.244 1.00 61.45 H new ATOM 1471 N VAL A 93 10.986 -28.052 8.924 1.00 53.22 N ATOM 1472 CA VAL A 93 11.364 -26.703 9.330 1.00 1.40 C ATOM 1473 C VAL A 93 11.213 -25.719 8.174 1.00 13.54 C ATOM 1474 O VAL A 93 11.562 -26.028 7.036 1.00 42.32 O ATOM 1475 CB VAL A 93 12.816 -26.657 9.843 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.767 -27.236 8.805 1.00 2.00 C ATOM 1477 CG2 VAL A 93 13.208 -25.233 10.202 1.00 1.50 C ATOM 0 H VAL A 93 11.519 -28.420 8.136 1.00 53.22 H new ATOM 0 HA VAL A 93 10.692 -26.415 10.139 1.00 1.40 H new ATOM 0 HB VAL A 93 12.885 -27.266 10.744 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.788 -27.195 9.184 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.496 -28.272 8.601 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.698 -26.656 7.885 1.00 2.00 H new ATOM 0 HG21 VAL A 93 14.237 -25.219 10.563 1.00 1.50 H new ATOM 0 HG22 VAL A 93 13.124 -24.599 9.319 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.545 -24.859 10.982 1.00 1.50 H new ATOM 1487 N GLU A 94 10.693 -24.534 8.478 1.00 63.33 N ATOM 1488 CA GLU A 94 10.497 -23.506 7.463 1.00 13.04 C ATOM 1489 C GLU A 94 11.436 -22.326 7.695 1.00 14.14 C ATOM 1490 O GLU A 94 11.529 -21.802 8.806 1.00 22.33 O ATOM 1491 CB GLU A 94 9.044 -23.024 7.468 1.00 72.23 C ATOM 1492 CG GLU A 94 8.136 -23.820 6.547 1.00 51.42 C ATOM 1493 CD GLU A 94 6.679 -23.751 6.962 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.202 -22.639 7.272 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.016 -24.808 6.975 1.00 11.44 O1- ATOM 0 H GLU A 94 10.401 -24.263 9.417 1.00 63.33 H new ATOM 0 HA GLU A 94 10.724 -23.943 6.491 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.655 -23.080 8.485 1.00 72.23 H new ATOM 0 HB3 GLU A 94 9.017 -21.975 7.173 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.238 -23.444 5.529 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.458 -24.861 6.536 1.00 51.42 H new ATOM 1502 N ILE A 95 12.131 -21.913 6.640 1.00 43.41 N ATOM 1503 CA ILE A 95 13.062 -20.796 6.730 1.00 24.11 C ATOM 1504 C ILE A 95 12.834 -19.798 5.600 1.00 51.42 C ATOM 1505 O ILE A 95 12.557 -20.184 4.464 1.00 43.44 O ATOM 1506 CB ILE A 95 14.525 -21.277 6.686 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.737 -22.424 7.676 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.471 -20.125 6.991 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.499 -23.791 7.076 1.00 4.40 C ATOM 0 H ILE A 95 12.067 -22.335 5.714 1.00 43.41 H new ATOM 0 HA ILE A 95 12.877 -20.308 7.687 1.00 24.11 H new ATOM 0 HB ILE A 95 14.742 -21.643 5.682 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.756 -22.377 8.061 1.00 21.22 H new ATOM 0 HG13 ILE A 95 14.068 -22.288 8.526 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.501 -20.481 6.956 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.334 -19.336 6.251 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.257 -19.731 7.985 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.667 -24.556 7.834 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.472 -23.857 6.716 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.186 -23.948 6.244 1.00 4.40 H new ATOM 1521 N GLU A 96 12.952 -18.512 5.918 1.00 15.41 N ATOM 1522 CA GLU A 96 12.758 -17.459 4.929 1.00 4.20 C ATOM 1523 C GLU A 96 13.636 -17.697 3.702 1.00 3.25 C ATOM 1524 O GLU A 96 14.861 -17.752 3.803 1.00 21.32 O ATOM 1525 CB GLU A 96 13.074 -16.092 5.538 1.00 33.11 C ATOM 1526 CG GLU A 96 14.374 -16.061 6.324 1.00 44.11 C ATOM 1527 CD GLU A 96 14.978 -14.673 6.399 1.00 24.12 C ATOM 1528 OE1 GLU A 96 15.571 -14.228 5.395 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.858 -14.031 7.464 1.00 64.34 O ATOM 0 H GLU A 96 13.181 -18.175 6.853 1.00 15.41 H new ATOM 0 HA GLU A 96 11.714 -17.477 4.617 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.124 -15.351 4.740 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.255 -15.798 6.195 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.192 -16.429 7.334 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.090 -16.740 5.861 1.00 44.11 H new ATOM 1536 N VAL A 97 12.998 -17.838 2.545 1.00 52.41 N ATOM 1537 CA VAL A 97 13.719 -18.070 1.298 1.00 41.24 C ATOM 1538 C VAL A 97 13.212 -17.151 0.192 1.00 64.02 C ATOM 1539 O VAL A 97 13.508 -17.357 -0.986 1.00 40.42 O ATOM 1540 CB VAL A 97 13.586 -19.533 0.837 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.203 -19.786 0.255 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.670 -19.873 -0.174 1.00 14.33 C ATOM 0 H VAL A 97 11.984 -17.796 2.444 1.00 52.41 H new ATOM 0 HA VAL A 97 14.769 -17.853 1.494 1.00 41.24 H new ATOM 0 HB VAL A 97 13.713 -20.182 1.703 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.128 -20.825 -0.065 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.447 -19.584 1.013 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.043 -19.130 -0.601 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.561 -20.911 -0.489 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.577 -19.219 -1.041 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.650 -19.733 0.282 1.00 14.33 H new ATOM 1552 N THR A 98 12.446 -16.135 0.578 1.00 74.11 N ATOM 1553 CA THR A 98 11.897 -15.185 -0.380 1.00 21.42 C ATOM 1554 C THR A 98 12.932 -14.134 -0.767 1.00 23.55 C ATOM 1555 O THR A 98 13.691 -13.640 0.066 1.00 72.05 O ATOM 1556 CB THR A 98 10.649 -14.478 0.180 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.000 -13.733 -0.856 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.022 -13.547 1.324 1.00 33.24 C ATOM 0 H THR A 98 12.192 -15.950 1.548 1.00 74.11 H new ATOM 0 HA THR A 98 11.615 -15.756 -1.264 1.00 21.42 H new ATOM 0 HB THR A 98 9.968 -15.240 0.559 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.207 -13.288 -0.491 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.124 -13.059 1.703 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.488 -14.122 2.124 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.721 -12.792 0.965 1.00 33.24 H new ATOM 1566 N PRO A 99 12.964 -13.783 -2.061 1.00 61.42 N ATOM 1567 CA PRO A 99 13.901 -12.785 -2.587 1.00 22.35 C ATOM 1568 C PRO A 99 13.574 -11.374 -2.110 1.00 21.13 C ATOM 1569 O PRO A 99 12.439 -11.084 -1.728 1.00 4.33 O ATOM 1570 CB PRO A 99 13.719 -12.893 -4.103 1.00 33.45 C ATOM 1571 CG PRO A 99 12.339 -13.423 -4.283 1.00 23.31 C ATOM 1572 CD PRO A 99 12.089 -14.331 -3.111 1.00 75.43 C ATOM 0 HA PRO A 99 14.922 -12.968 -2.252 1.00 22.35 H new ATOM 0 HB2 PRO A 99 13.836 -11.923 -4.586 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.460 -13.560 -4.544 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.610 -12.613 -4.312 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.249 -13.966 -5.224 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.042 -14.318 -2.809 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.340 -15.366 -3.344 1.00 75.43 H new ATOM 1580 N LYS A 100 14.573 -10.499 -2.136 1.00 1.34 N ATOM 1581 CA LYS A 100 14.392 -9.117 -1.708 1.00 31.23 C ATOM 1582 C LYS A 100 13.638 -8.315 -2.764 1.00 11.53 C ATOM 1583 O LYS A 100 13.292 -7.154 -2.546 1.00 43.02 O ATOM 1584 CB LYS A 100 15.749 -8.465 -1.430 1.00 14.02 C ATOM 1585 CG LYS A 100 15.680 -7.315 -0.441 1.00 13.24 C ATOM 1586 CD LYS A 100 17.054 -6.727 -0.173 1.00 51.30 C ATOM 1587 CE LYS A 100 17.868 -7.612 0.759 1.00 60.13 C ATOM 1588 NZ LYS A 100 17.523 -7.378 2.189 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.518 -10.723 -2.449 1.00 1.34 H new ATOM 0 HA LYS A 100 13.803 -9.121 -0.791 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.434 -9.221 -1.048 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.167 -8.101 -2.369 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.021 -6.539 -0.830 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.244 -7.664 0.495 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.587 -6.602 -1.115 1.00 51.30 H new ATOM 0 HD3 LYS A 100 16.947 -5.735 0.267 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.694 -8.659 0.510 1.00 60.13 H new ATOM 0 HE3 LYS A 100 18.930 -7.421 0.606 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 18.099 -8.000 2.791 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 17.713 -6.385 2.434 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 16.515 -7.585 2.341 1.00 62.04 H new ATOM 1602 N ASP A 101 13.386 -8.942 -3.908 1.00 23.32 N ATOM 1603 CA ASP A 101 12.670 -8.287 -4.997 1.00 41.13 C ATOM 1604 C ASP A 101 11.273 -8.876 -5.161 1.00 43.12 C ATOM 1605 O ASP A 101 10.554 -8.543 -6.102 1.00 15.43 O ATOM 1606 CB ASP A 101 13.452 -8.426 -6.305 1.00 64.01 C ATOM 1607 CG ASP A 101 14.669 -7.523 -6.350 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.698 -6.526 -5.599 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 15.593 -7.814 -7.137 1.00 12.30 O ATOM 0 H ASP A 101 13.667 -9.903 -4.105 1.00 23.32 H new ATOM 0 HA ASP A 101 12.572 -7.230 -4.751 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.767 -9.462 -6.428 1.00 64.01 H new ATOM 0 HB3 ASP A 101 12.797 -8.190 -7.144 1.00 64.01 H new ATOM 1614 N PHE A 102 10.894 -9.754 -4.237 1.00 61.52 N ATOM 1615 CA PHE A 102 9.583 -10.391 -4.280 1.00 41.25 C ATOM 1616 C PHE A 102 8.474 -9.367 -4.058 1.00 61.03 C ATOM 1617 O PHE A 102 7.318 -9.602 -4.409 1.00 73.03 O ATOM 1618 CB PHE A 102 9.495 -11.493 -3.222 1.00 42.23 C ATOM 1619 CG PHE A 102 8.820 -12.742 -3.714 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.228 -13.349 -4.892 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.777 -13.310 -3.000 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.609 -14.498 -5.347 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.155 -14.459 -3.450 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.571 -15.053 -4.625 1.00 15.23 C ATOM 0 H PHE A 102 11.476 -10.040 -3.450 1.00 61.52 H new ATOM 0 HA PHE A 102 9.452 -10.833 -5.268 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.501 -11.742 -2.883 1.00 42.23 H new ATOM 0 HB3 PHE A 102 8.952 -11.113 -2.357 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.039 -12.919 -5.461 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.446 -12.849 -2.081 1.00 61.34 H new ATOM 0 HE1 PHE A 102 8.937 -14.961 -6.266 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.344 -14.892 -2.883 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.085 -15.950 -4.979 1.00 15.23 H new ATOM 1634 N GLY A 103 8.835 -8.230 -3.471 1.00 33.20 N ATOM 1635 CA GLY A 103 7.860 -7.187 -3.212 1.00 14.33 C ATOM 1636 C GLY A 103 7.042 -6.839 -4.439 1.00 14.11 C ATOM 1637 O GLY A 103 5.811 -6.829 -4.393 1.00 52.21 O ATOM 0 H GLY A 103 9.785 -8.013 -3.170 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.192 -7.509 -2.413 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.374 -6.294 -2.857 1.00 14.33 H new ATOM 1641 N ARG A 104 7.726 -6.550 -5.542 1.00 11.41 N ATOM 1642 CA ARG A 104 7.056 -6.196 -6.787 1.00 21.11 C ATOM 1643 C ARG A 104 6.542 -7.443 -7.501 1.00 54.21 C ATOM 1644 O ARG A 104 5.461 -7.432 -8.090 1.00 35.02 O ATOM 1645 CB ARG A 104 8.009 -5.427 -7.704 1.00 50.22 C ATOM 1646 CG ARG A 104 7.341 -4.878 -8.954 1.00 72.45 C ATOM 1647 CD ARG A 104 8.364 -4.520 -10.021 1.00 22.14 C ATOM 1648 NE ARG A 104 7.742 -3.903 -11.190 1.00 50.51 N ATOM 1649 CZ ARG A 104 7.213 -2.685 -11.183 1.00 32.33 C ATOM 1650 NH1 ARG A 104 7.229 -1.957 -10.075 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 6.665 -2.192 -12.287 1.00 63.54 N ATOM 0 H ARG A 104 8.744 -6.554 -5.598 1.00 11.41 H new ATOM 0 HA ARG A 104 6.205 -5.560 -6.544 1.00 21.11 H new ATOM 0 HB2 ARG A 104 8.450 -4.601 -7.145 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.826 -6.085 -7.998 1.00 50.22 H new ATOM 0 HG2 ARG A 104 6.644 -5.617 -9.350 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.757 -3.994 -8.697 1.00 72.45 H new ATOM 0 HD2 ARG A 104 9.103 -3.837 -9.601 1.00 22.14 H new ATOM 0 HD3 ARG A 104 8.899 -5.419 -10.327 1.00 22.14 H new ATOM 0 HE ARG A 104 7.712 -4.437 -12.059 1.00 50.51 H new ATOM 0 HH11 ARG A 104 7.649 -2.332 -9.224 1.00 65.42 H new ATOM 0 HH12 ARG A 104 6.822 -1.022 -10.073 1.00 65.42 H new ATOM 0 HH21 ARG A 104 6.650 -2.749 -13.141 1.00 63.54 H new ATOM 0 HH22 ARG A 104 6.259 -1.256 -12.281 1.00 63.54 H new ATOM 1665 N ILE A 105 7.324 -8.516 -7.444 1.00 74.15 N ATOM 1666 CA ILE A 105 6.947 -9.770 -8.084 1.00 51.42 C ATOM 1667 C ILE A 105 5.593 -10.258 -7.584 1.00 31.22 C ATOM 1668 O ILE A 105 4.755 -10.706 -8.366 1.00 32.23 O ATOM 1669 CB ILE A 105 7.999 -10.867 -7.835 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.367 -10.421 -8.358 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.573 -12.170 -8.496 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.501 -11.324 -7.929 1.00 51.01 C ATOM 0 H ILE A 105 8.222 -8.542 -6.961 1.00 74.15 H new ATOM 0 HA ILE A 105 6.886 -9.572 -9.154 1.00 51.42 H new ATOM 0 HB ILE A 105 8.078 -11.036 -6.761 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.336 -10.383 -9.447 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.568 -9.408 -8.009 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.327 -12.935 -8.311 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.618 -12.493 -8.081 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.468 -12.016 -9.570 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.440 -10.948 -8.336 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.559 -11.343 -6.841 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.323 -12.333 -8.301 1.00 51.01 H new ATOM 1684 N ALA A 106 5.383 -10.166 -6.275 1.00 52.13 N ATOM 1685 CA ALA A 106 4.128 -10.595 -5.670 1.00 0.32 C ATOM 1686 C ALA A 106 2.936 -9.927 -6.347 1.00 11.13 C ATOM 1687 O ALA A 106 1.928 -10.573 -6.627 1.00 42.22 O ATOM 1688 CB ALA A 106 4.131 -10.289 -4.178 1.00 60.32 C ATOM 0 H ALA A 106 6.066 -9.798 -5.613 1.00 52.13 H new ATOM 0 HA ALA A 106 4.034 -11.672 -5.809 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.188 -10.614 -3.738 1.00 60.32 H new ATOM 0 HB2 ALA A 106 4.956 -10.817 -3.700 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.251 -9.216 -4.027 1.00 60.32 H new ATOM 1694 N ALA A 107 3.059 -8.628 -6.605 1.00 54.24 N ATOM 1695 CA ALA A 107 1.993 -7.875 -7.250 1.00 40.42 C ATOM 1696 C ALA A 107 1.885 -8.229 -8.730 1.00 61.51 C ATOM 1697 O ALA A 107 0.806 -8.556 -9.221 1.00 62.23 O ATOM 1698 CB ALA A 107 2.226 -6.380 -7.081 1.00 41.43 C ATOM 0 H ALA A 107 3.887 -8.077 -6.377 1.00 54.24 H new ATOM 0 HA ALA A 107 1.052 -8.144 -6.769 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.421 -5.829 -7.568 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.245 -6.132 -6.020 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.179 -6.107 -7.534 1.00 41.43 H new ATOM 1704 N GLN A 108 3.011 -8.164 -9.433 1.00 63.24 N ATOM 1705 CA GLN A 108 3.042 -8.478 -10.856 1.00 24.31 C ATOM 1706 C GLN A 108 2.449 -9.857 -11.122 1.00 33.31 C ATOM 1707 O GLN A 108 1.874 -10.104 -12.182 1.00 5.33 O ATOM 1708 CB GLN A 108 4.477 -8.416 -11.382 1.00 74.24 C ATOM 1709 CG GLN A 108 4.613 -8.855 -12.831 1.00 10.13 C ATOM 1710 CD GLN A 108 6.039 -8.764 -13.337 1.00 34.33 C ATOM 1711 OE1 GLN A 108 6.481 -7.709 -13.795 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.768 -9.871 -13.259 1.00 30.20 N ATOM 0 H GLN A 108 3.914 -7.897 -9.040 1.00 63.24 H new ATOM 0 HA GLN A 108 2.439 -7.736 -11.380 1.00 24.31 H new ATOM 0 HB2 GLN A 108 4.847 -7.396 -11.284 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.111 -9.047 -10.759 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.261 -9.882 -12.930 1.00 10.13 H new ATOM 0 HG3 GLN A 108 3.970 -8.236 -13.456 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.362 -10.723 -12.872 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.734 -9.869 -13.586 1.00 30.20 H new ATOM 1721 N THR A 109 2.594 -10.756 -10.153 1.00 14.35 N ATOM 1722 CA THR A 109 2.075 -12.110 -10.282 1.00 1.22 C ATOM 1723 C THR A 109 0.603 -12.175 -9.888 1.00 5.53 C ATOM 1724 O THR A 109 -0.144 -13.020 -10.382 1.00 22.25 O ATOM 1725 CB THR A 109 2.870 -13.103 -9.414 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.275 -12.920 -9.624 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.486 -14.538 -9.742 1.00 43.12 C ATOM 0 H THR A 109 3.068 -10.569 -9.269 1.00 14.35 H new ATOM 0 HA THR A 109 2.181 -12.389 -11.330 1.00 1.22 H new ATOM 0 HB THR A 109 2.630 -12.910 -8.368 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.623 -12.280 -8.969 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.061 -15.221 -9.116 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.422 -14.682 -9.554 1.00 43.12 H new ATOM 0 HG23 THR A 109 2.700 -14.741 -10.791 1.00 43.12 H new ATOM 1735 N ALA A 110 0.194 -11.278 -8.997 1.00 1.34 N ATOM 1736 CA ALA A 110 -1.189 -11.233 -8.540 1.00 65.20 C ATOM 1737 C ALA A 110 -2.099 -10.625 -9.602 1.00 34.15 C ATOM 1738 O ALA A 110 -3.242 -11.051 -9.773 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.290 -10.443 -7.242 1.00 42.13 C ATOM 0 H ALA A 110 0.800 -10.573 -8.578 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.519 -12.256 -8.358 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.328 -10.417 -6.912 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.678 -10.920 -6.477 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.936 -9.425 -7.407 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.586 -9.628 -10.315 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.352 -8.962 -11.361 1.00 13.33 C ATOM 1747 C LYS A 111 -2.599 -9.903 -12.537 1.00 33.32 C ATOM 1748 O LYS A 111 -3.657 -9.862 -13.164 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.615 -7.710 -11.843 1.00 20.42 C ATOM 1750 CG LYS A 111 -0.163 -7.964 -12.212 1.00 74.20 C ATOM 1751 CD LYS A 111 0.308 -7.017 -13.304 1.00 34.11 C ATOM 1752 CE LYS A 111 0.219 -5.565 -12.859 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.114 -4.684 -13.659 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.642 -9.263 -10.187 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.315 -8.671 -10.942 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -2.136 -7.303 -12.710 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.655 -6.951 -11.062 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.464 -7.843 -11.329 1.00 74.20 H new ATOM 0 HG3 LYS A 111 -0.047 -8.995 -12.547 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.337 -7.254 -13.573 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.297 -7.162 -14.199 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.810 -5.219 -12.953 1.00 74.34 H new ATOM 0 HE3 LYS A 111 0.485 -5.491 -11.804 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.024 -3.703 -13.325 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.099 -4.998 -13.549 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 0.844 -4.734 -14.662 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.617 -10.750 -12.828 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.729 -11.701 -13.927 1.00 10.21 C ATOM 1769 C GLN A 112 -2.637 -12.866 -13.548 1.00 0.31 C ATOM 1770 O GLN A 112 -3.334 -13.426 -14.395 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.348 -12.223 -14.322 1.00 41.41 C ATOM 1772 CG GLN A 112 0.407 -12.876 -13.174 1.00 33.01 C ATOM 1773 CD GLN A 112 1.774 -13.384 -13.588 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.704 -12.603 -13.794 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.903 -14.700 -13.713 1.00 73.33 N ATOM 0 H GLN A 112 -0.735 -10.797 -12.318 1.00 52.54 H new ATOM 0 HA GLN A 112 -2.170 -11.182 -14.778 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.459 -12.946 -15.130 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.246 -11.397 -14.713 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.521 -12.156 -12.363 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.181 -13.706 -12.783 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.106 -15.310 -13.532 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.799 -15.101 -13.990 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.624 -13.228 -12.269 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.447 -14.327 -11.777 1.00 53.54 C ATOM 1786 C VAL A 113 -4.923 -13.944 -11.760 1.00 33.44 C ATOM 1787 O VAL A 113 -5.757 -14.618 -12.363 1.00 10.35 O ATOM 1788 CB VAL A 113 -3.023 -14.754 -10.360 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.124 -15.565 -9.695 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.724 -15.545 -10.409 1.00 71.43 C ATOM 0 H VAL A 113 -2.053 -12.776 -11.555 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.300 -15.163 -12.460 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.854 -13.857 -9.764 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.806 -15.858 -8.694 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -5.029 -14.962 -9.626 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.327 -16.457 -10.287 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.439 -15.839 -9.399 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.864 -16.436 -11.021 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.938 -14.927 -10.843 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.238 -12.855 -11.065 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.613 -12.380 -10.969 1.00 44.31 C ATOM 1802 C VAL A 114 -7.176 -12.048 -12.346 1.00 24.40 C ATOM 1803 O VAL A 114 -8.340 -12.327 -12.638 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.716 -11.134 -10.070 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.358 -11.481 -8.633 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.821 -10.022 -10.598 1.00 62.43 C ATOM 0 H VAL A 114 -4.559 -12.285 -10.560 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.196 -13.187 -10.525 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.746 -10.779 -10.086 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -6.436 -10.588 -8.013 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -7.043 -12.243 -8.261 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.337 -11.861 -8.594 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.906 -9.149 -9.951 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.786 -10.364 -10.613 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -6.129 -9.756 -11.609 1.00 62.43 H new ATOM 1816 N THR A 115 -6.342 -11.450 -13.192 1.00 11.13 N ATOM 1817 CA THR A 115 -6.757 -11.078 -14.539 1.00 33.11 C ATOM 1818 C THR A 115 -6.925 -12.309 -15.422 1.00 25.41 C ATOM 1819 O THR A 115 -7.728 -12.310 -16.354 1.00 0.53 O ATOM 1820 CB THR A 115 -5.741 -10.124 -15.195 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.677 -8.896 -14.463 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.121 -9.839 -16.641 1.00 72.31 C ATOM 0 H THR A 115 -5.376 -11.213 -12.968 1.00 11.13 H new ATOM 0 HA THR A 115 -7.716 -10.568 -14.446 1.00 33.11 H new ATOM 0 HB THR A 115 -4.763 -10.606 -15.181 1.00 14.23 H new ATOM 0 HG1 THR A 115 -5.102 -9.013 -13.678 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.389 -9.163 -17.083 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.139 -10.773 -17.203 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.108 -9.377 -16.674 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.162 -13.355 -15.122 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.227 -14.593 -15.890 1.00 54.01 C ATOM 1832 C GLN A 116 -7.543 -15.322 -15.635 1.00 61.15 C ATOM 1833 O GLN A 116 -8.227 -15.733 -16.573 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.049 -15.502 -15.535 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.868 -15.365 -16.482 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.961 -16.304 -17.668 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.567 -15.978 -18.689 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.356 -17.481 -17.541 1.00 23.42 N ATOM 0 H GLN A 116 -5.492 -13.370 -14.353 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.172 -14.338 -16.948 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.719 -15.276 -14.521 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.387 -16.538 -15.537 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -3.812 -14.337 -16.840 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -2.945 -15.564 -15.937 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.865 -17.711 -16.677 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -3.383 -18.154 -18.307 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.889 -15.480 -14.363 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.122 -16.162 -13.985 1.00 0.51 C ATOM 1849 C ARG A 117 -10.325 -15.530 -14.676 1.00 2.44 C ATOM 1850 O ARG A 117 -11.222 -16.230 -15.148 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.310 -16.116 -12.467 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.781 -17.348 -11.751 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.324 -17.612 -12.099 1.00 72.54 C ATOM 1854 NE ARG A 117 -6.811 -18.810 -11.438 1.00 64.15 N ATOM 1855 CZ ARG A 117 -7.182 -20.044 -11.761 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.064 -20.241 -12.732 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -6.672 -21.082 -11.114 1.00 63.20 N ATOM 0 H ARG A 117 -7.334 -15.145 -13.576 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.046 -17.202 -14.304 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -8.806 -15.233 -12.073 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.371 -16.004 -12.244 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -8.881 -17.215 -10.674 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -9.384 -18.215 -12.022 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.224 -17.723 -13.179 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -6.721 -16.752 -11.809 1.00 72.54 H new ATOM 0 HE ARG A 117 -6.131 -18.692 -10.687 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.458 -19.444 -13.232 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.348 -21.189 -12.979 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -5.994 -20.934 -10.367 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -6.958 -22.029 -11.363 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.340 -14.201 -14.733 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.433 -13.475 -15.367 1.00 4.21 C ATOM 1873 C VAL A 118 -11.727 -14.028 -16.757 1.00 14.31 C ATOM 1874 O VAL A 118 -12.878 -14.062 -17.192 1.00 21.50 O ATOM 1875 CB VAL A 118 -11.117 -11.972 -15.481 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.336 -11.205 -15.970 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.634 -11.426 -14.146 1.00 2.43 C ATOM 0 H VAL A 118 -9.607 -13.606 -14.347 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.310 -13.607 -14.733 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.318 -11.841 -16.211 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -12.093 -10.145 -16.044 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.632 -11.579 -16.950 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -13.158 -11.341 -15.267 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.415 -10.363 -14.245 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.409 -11.568 -13.393 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.731 -11.955 -13.842 1.00 2.43 H new ATOM 1887 N ARG A 119 -10.678 -14.460 -17.449 1.00 45.44 N ATOM 1888 CA ARG A 119 -10.824 -15.012 -18.791 1.00 54.32 C ATOM 1889 C ARG A 119 -11.454 -16.401 -18.744 1.00 31.42 C ATOM 1890 O ARG A 119 -12.388 -16.695 -19.487 1.00 55.43 O ATOM 1891 CB ARG A 119 -9.464 -15.080 -19.489 1.00 34.42 C ATOM 1892 CG ARG A 119 -8.713 -13.759 -19.490 1.00 12.01 C ATOM 1893 CD ARG A 119 -7.257 -13.946 -19.886 1.00 74.24 C ATOM 1894 NE ARG A 119 -7.121 -14.453 -21.249 1.00 63.02 N ATOM 1895 CZ ARG A 119 -5.992 -14.396 -21.945 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -4.905 -13.858 -21.409 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -5.947 -14.878 -23.181 1.00 64.13 N ATOM 0 H ARG A 119 -9.719 -14.439 -17.103 1.00 45.44 H new ATOM 0 HA ARG A 119 -11.483 -14.353 -19.357 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -8.851 -15.836 -18.999 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -9.610 -15.406 -20.519 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -9.193 -13.067 -20.182 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -8.767 -13.308 -18.499 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -6.733 -12.994 -19.799 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -6.779 -14.638 -19.193 1.00 74.24 H new ATOM 0 HE ARG A 119 -7.939 -14.874 -21.690 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -4.935 -13.487 -20.459 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -4.039 -13.816 -21.946 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -6.781 -15.293 -23.597 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -5.079 -14.833 -23.714 1.00 64.13 H new ATOM 1911 N GLU A 120 -10.934 -17.251 -17.863 1.00 3.12 N ATOM 1912 CA GLU A 120 -11.445 -18.609 -17.720 1.00 33.03 C ATOM 1913 C GLU A 120 -12.899 -18.597 -17.260 1.00 32.20 C ATOM 1914 O GLU A 120 -13.764 -19.212 -17.883 1.00 44.34 O ATOM 1915 CB GLU A 120 -10.590 -19.396 -16.724 1.00 30.44 C ATOM 1916 CG GLU A 120 -9.347 -20.013 -17.344 1.00 1.51 C ATOM 1917 CD GLU A 120 -8.686 -21.031 -16.435 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -9.399 -21.915 -15.915 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -7.454 -20.944 -16.245 1.00 11.10 O ATOM 0 H GLU A 120 -10.160 -17.023 -17.239 1.00 3.12 H new ATOM 0 HA GLU A 120 -11.394 -19.094 -18.695 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -10.290 -18.733 -15.912 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -11.197 -20.187 -16.283 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -9.615 -20.492 -18.286 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -8.633 -19.224 -17.579 1.00 1.51 H new ATOM 1926 N ALA A 121 -13.162 -17.893 -16.164 1.00 41.02 N ATOM 1927 CA ALA A 121 -14.511 -17.800 -15.620 1.00 30.52 C ATOM 1928 C ALA A 121 -15.508 -17.381 -16.696 1.00 21.14 C ATOM 1929 O ALA A 121 -16.591 -17.955 -16.807 1.00 23.24 O ATOM 1930 CB ALA A 121 -14.545 -16.820 -14.457 1.00 61.44 C ATOM 0 H ALA A 121 -12.458 -17.378 -15.635 1.00 41.02 H new ATOM 0 HA ALA A 121 -14.799 -18.787 -15.258 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -15.559 -16.761 -14.061 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -13.868 -17.161 -13.674 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -14.232 -15.835 -14.802 1.00 61.44 H new ATOM 1936 N GLU A 122 -15.135 -16.377 -17.484 1.00 33.52 N ATOM 1937 CA GLU A 122 -15.999 -15.882 -18.549 1.00 11.20 C ATOM 1938 C GLU A 122 -16.024 -16.854 -19.725 1.00 55.40 C ATOM 1939 O GLU A 122 -16.997 -16.908 -20.477 1.00 21.30 O ATOM 1940 CB GLU A 122 -15.525 -14.505 -19.020 1.00 64.21 C ATOM 1941 CG GLU A 122 -16.010 -13.361 -18.146 1.00 13.33 C ATOM 1942 CD GLU A 122 -17.422 -12.925 -18.488 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -17.661 -12.549 -19.654 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -18.287 -12.959 -17.588 1.00 65.03 O ATOM 0 H GLU A 122 -14.242 -15.891 -17.405 1.00 33.52 H new ATOM 0 HA GLU A 122 -17.010 -15.794 -18.152 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -14.435 -14.495 -19.045 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -15.869 -14.342 -20.041 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -15.971 -13.666 -17.100 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -15.335 -12.513 -18.256 1.00 13.33 H new ATOM 1951 N ARG A 123 -14.948 -17.618 -19.876 1.00 41.24 N ATOM 1952 CA ARG A 123 -14.846 -18.587 -20.961 1.00 72.40 C ATOM 1953 C ARG A 123 -15.984 -19.602 -20.893 1.00 72.21 C ATOM 1954 O ARG A 123 -16.550 -19.985 -21.915 1.00 44.14 O ATOM 1955 CB ARG A 123 -13.500 -19.310 -20.902 1.00 64.22 C ATOM 1956 CG ARG A 123 -13.203 -20.147 -22.136 1.00 70.24 C ATOM 1957 CD ARG A 123 -13.664 -21.586 -21.958 1.00 32.51 C ATOM 1958 NE ARG A 123 -12.981 -22.246 -20.849 1.00 10.34 N ATOM 1959 CZ ARG A 123 -13.392 -23.388 -20.308 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -14.477 -23.992 -20.772 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -12.717 -23.927 -19.301 1.00 40.43 N ATOM 0 H ARG A 123 -14.135 -17.585 -19.261 1.00 41.24 H new ATOM 0 HA ARG A 123 -14.920 -18.047 -21.905 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -12.707 -18.573 -20.774 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -13.482 -19.955 -20.023 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -13.700 -19.709 -23.002 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -12.132 -20.129 -22.340 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -14.740 -21.603 -21.783 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -13.482 -22.141 -22.878 1.00 32.51 H new ATOM 0 HE ARG A 123 -12.143 -21.807 -20.469 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -14.998 -23.580 -21.546 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -14.790 -24.869 -20.355 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -11.882 -23.465 -18.941 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -13.033 -24.804 -18.886 1.00 40.43 H new ATOM 1975 N GLY A 124 -16.314 -20.034 -19.679 1.00 5.13 N ATOM 1976 CA GLY A 124 -17.381 -21.000 -19.500 1.00 42.31 C ATOM 1977 C GLY A 124 -17.105 -21.966 -18.365 1.00 72.23 C ATOM 1978 O GLY A 124 -16.233 -21.721 -17.531 1.00 21.50 O ATOM 0 H GLY A 124 -15.861 -19.732 -18.817 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -18.315 -20.473 -19.305 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -17.518 -21.561 -20.425 1.00 42.31 H new TER 1982 GLY A 124