USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -104:sc= 0.81 USER MOD Set 1.2: A 103 ASN : amide:sc= -3.53 K(o=-2.7,f=-0.5) USER MOD Set 2.1: A 42 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.2) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -118:sc= 0.00188 (180deg=-0.0125) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -165:sc= 0.911 (180deg=-0.925) USER MOD Set 3.2: A 58 THR OG1 : rot 91:sc= 1.05 USER MOD Set 4.1: A 31 ASN : amide:sc= -4.01! C(o=-8.9!,f=-21!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -4.85! C(o=-8.9!,f=-17!) USER MOD Single : A 5 LYS NZ :NH3+ -107:sc= 0.972 (180deg=0.00914) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.606) USER MOD Single : A 12 GLN : amide:sc= -1.95! C(o=-2!,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -1.3 (180deg=-3.09!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0573 USER MOD Single : A 16 GLN : amide:sc= -0.116 X(o=-0.12,f=0.12) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.25 USER MOD Single : A 18 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-2.1) USER MOD Single : A 19 THR OG1 : rot 130:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0161 (180deg=-0.214) USER MOD Single : A 25 LYS NZ :NH3+ -110:sc= -0.203 (180deg=-0.853) USER MOD Single : A 26 HIS : no HE2:sc= -0.594 K(o=-0.59,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 89:sc= -0.738 USER MOD Single : A 47 THR OG1 : rot 28:sc= 0.377 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.74 USER MOD Single : A 49 THR OG1 : rot -68:sc= -0.0892 USER MOD Single : A 52 ASN : amide:sc= -0.191 K(o=-0.19,f=-5.8!) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0336 (180deg=-0.305) USER MOD Single : A 54 ASN : amide:sc= -9.4! C(o=-9.4!,f=-4.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 79:sc= -2.61! USER MOD Single : A 65 MET CE :methyl 174:sc=-0.000305 (180deg=-0.0198) USER MOD Single : A 67 TYR OH : rot 51:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.5!) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -2.77! (180deg=-4.88!) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0155 (180deg=-0.229) USER MOD Single : A 74 TYR OH : rot 19:sc= 0.119 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 141:sc=-0.00276 (180deg=-0.223) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= -0.0235 (180deg=-0.348) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.178) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 145:sc= 0.0388 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 0.00828 (180deg=0.00123) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.319 8.185 -8.719 1.00 0.00 N ATOM 11 CA ASP A 2 73.839 7.414 -9.864 1.00 0.00 C ATOM 12 C ASP A 2 74.237 5.952 -9.732 1.00 0.00 C ATOM 13 O ASP A 2 75.291 5.540 -10.211 1.00 0.00 O ATOM 14 CB ASP A 2 74.420 7.983 -11.159 1.00 0.00 C ATOM 15 CG ASP A 2 74.107 9.472 -11.262 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.007 9.853 -10.896 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.972 10.210 -11.704 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.752 7.483 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.499 7.827 -11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.003 7.455 -12.017 1.00 0.00 H new ATOM 22 N VAL A 3 73.381 5.173 -9.083 1.00 0.00 N ATOM 23 CA VAL A 3 73.646 3.754 -8.899 1.00 0.00 C ATOM 24 C VAL A 3 74.042 3.113 -10.225 1.00 0.00 C ATOM 25 O VAL A 3 74.629 2.031 -10.254 1.00 0.00 O ATOM 26 CB VAL A 3 72.399 3.063 -8.340 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.205 3.348 -9.252 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.636 1.553 -8.270 1.00 0.00 C ATOM 0 H VAL A 3 72.503 5.498 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 3 74.469 3.638 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 3 72.193 3.444 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.318 2.856 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.033 4.423 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.412 2.968 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.747 1.063 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.844 1.171 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.486 1.348 -7.619 1.00 0.00 H new ATOM 38 N GLU A 4 73.716 3.791 -11.323 1.00 0.00 N ATOM 39 CA GLU A 4 74.040 3.274 -12.649 1.00 0.00 C ATOM 40 C GLU A 4 75.534 3.412 -12.931 1.00 0.00 C ATOM 41 O GLU A 4 76.224 2.422 -13.178 1.00 0.00 O ATOM 42 CB GLU A 4 73.246 4.031 -13.714 1.00 0.00 C ATOM 43 CG GLU A 4 71.748 3.817 -13.483 1.00 0.00 C ATOM 44 CD GLU A 4 70.949 4.467 -14.607 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.932 3.912 -15.693 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.366 5.511 -14.365 1.00 0.00 O1- ATOM 0 H GLU A 4 73.233 4.690 -11.322 1.00 0.00 H new ATOM 0 HA GLU A 4 73.773 2.218 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.483 5.094 -13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.525 3.681 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.527 2.751 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.455 4.244 -12.524 1.00 0.00 H new ATOM 53 N LYS A 5 76.031 4.643 -12.883 1.00 0.00 N ATOM 54 CA LYS A 5 77.446 4.883 -13.128 1.00 0.00 C ATOM 55 C LYS A 5 78.264 4.381 -11.949 1.00 0.00 C ATOM 56 O LYS A 5 79.464 4.138 -12.070 1.00 0.00 O ATOM 57 CB LYS A 5 77.699 6.380 -13.347 1.00 0.00 C ATOM 58 CG LYS A 5 77.412 6.743 -14.810 1.00 0.00 C ATOM 59 CD LYS A 5 77.160 8.252 -14.934 1.00 0.00 C ATOM 60 CE LYS A 5 75.675 8.548 -14.707 1.00 0.00 C ATOM 61 NZ LYS A 5 75.483 10.015 -14.532 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.483 5.479 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 5 77.747 4.344 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.063 6.967 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.731 6.625 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.255 6.453 -15.438 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.543 6.190 -15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.764 8.792 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.464 8.601 -15.921 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.088 8.192 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.318 8.016 -13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.279 10.222 -13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.348 10.515 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 74.687 10.334 -15.121 1.00 0.00 H new ATOM 75 N GLY A 6 77.599 4.203 -10.813 1.00 0.00 N ATOM 76 CA GLY A 6 78.272 3.699 -9.628 1.00 0.00 C ATOM 77 C GLY A 6 78.612 2.234 -9.835 1.00 0.00 C ATOM 78 O GLY A 6 79.666 1.756 -9.413 1.00 0.00 O ATOM 0 H GLY A 6 76.605 4.398 -10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.179 4.272 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.632 3.817 -8.753 1.00 0.00 H new ATOM 82 N LYS A 7 77.711 1.533 -10.513 1.00 0.00 N ATOM 83 CA LYS A 7 77.913 0.126 -10.808 1.00 0.00 C ATOM 84 C LYS A 7 79.060 -0.031 -11.799 1.00 0.00 C ATOM 85 O LYS A 7 79.899 -0.920 -11.656 1.00 0.00 O ATOM 86 CB LYS A 7 76.633 -0.473 -11.400 1.00 0.00 C ATOM 87 CG LYS A 7 76.765 -1.999 -11.495 1.00 0.00 C ATOM 88 CD LYS A 7 75.851 -2.534 -12.607 1.00 0.00 C ATOM 89 CE LYS A 7 76.583 -2.479 -13.951 1.00 0.00 C ATOM 90 NZ LYS A 7 75.675 -2.960 -15.031 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.835 1.918 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 7 78.159 -0.400 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.777 -0.211 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.448 -0.053 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.800 -2.271 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.499 -2.456 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.555 -3.559 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.937 -1.942 -12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.906 -1.459 -14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.481 -3.096 -13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.171 -2.923 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.388 -3.940 -14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.831 -2.353 -15.071 1.00 0.00 H new ATOM 104 N LYS A 8 79.094 0.844 -12.804 1.00 0.00 N ATOM 105 CA LYS A 8 80.149 0.791 -13.811 1.00 0.00 C ATOM 106 C LYS A 8 81.521 0.937 -13.160 1.00 0.00 C ATOM 107 O LYS A 8 82.431 0.140 -13.402 1.00 0.00 O ATOM 108 CB LYS A 8 79.948 1.912 -14.837 1.00 0.00 C ATOM 109 CG LYS A 8 81.093 1.897 -15.864 1.00 0.00 C ATOM 110 CD LYS A 8 82.136 2.966 -15.509 1.00 0.00 C ATOM 111 CE LYS A 8 81.681 4.332 -16.032 1.00 0.00 C ATOM 112 NZ LYS A 8 82.385 5.410 -15.283 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.411 1.589 -12.941 1.00 0.00 H new ATOM 0 HA LYS A 8 80.098 -0.176 -14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.992 1.785 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.915 2.877 -14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.562 0.913 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.698 2.081 -16.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.273 3.008 -14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.101 2.704 -15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.895 4.415 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.602 4.438 -15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.441 6.264 -15.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 81.861 5.626 -14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.345 5.093 -15.040 1.00 0.00 H new ATOM 126 N ILE A 9 81.664 1.965 -12.334 1.00 0.00 N ATOM 127 CA ILE A 9 82.927 2.215 -11.657 1.00 0.00 C ATOM 128 C ILE A 9 83.262 1.084 -10.694 1.00 0.00 C ATOM 129 O ILE A 9 84.421 0.875 -10.356 1.00 0.00 O ATOM 130 CB ILE A 9 82.851 3.532 -10.885 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.629 4.687 -11.866 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.160 3.755 -10.124 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.156 5.924 -11.100 1.00 0.00 C ATOM 0 H ILE A 9 80.926 2.635 -12.118 1.00 0.00 H new ATOM 0 HA ILE A 9 83.711 2.274 -12.412 1.00 0.00 H new ATOM 0 HB ILE A 9 82.022 3.490 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.554 4.908 -12.399 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.889 4.405 -12.615 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.105 4.694 -9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.319 2.934 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.989 3.796 -10.830 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.998 6.746 -11.798 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.221 5.699 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.912 6.210 -10.368 1.00 0.00 H new ATOM 145 N PHE A 10 82.243 0.365 -10.243 1.00 0.00 N ATOM 146 CA PHE A 10 82.460 -0.728 -9.299 1.00 0.00 C ATOM 147 C PHE A 10 82.974 -1.986 -9.998 1.00 0.00 C ATOM 148 O PHE A 10 83.983 -2.562 -9.586 1.00 0.00 O ATOM 149 CB PHE A 10 81.150 -1.053 -8.571 1.00 0.00 C ATOM 150 CG PHE A 10 81.199 -2.475 -8.063 1.00 0.00 C ATOM 151 CD1 PHE A 10 81.754 -2.751 -6.811 1.00 0.00 C ATOM 152 CD2 PHE A 10 80.704 -3.519 -8.855 1.00 0.00 C ATOM 153 CE1 PHE A 10 81.815 -4.071 -6.347 1.00 0.00 C ATOM 154 CE2 PHE A 10 80.766 -4.838 -8.393 1.00 0.00 C ATOM 155 CZ PHE A 10 81.321 -5.115 -7.140 1.00 0.00 C ATOM 0 H PHE A 10 81.270 0.514 -10.510 1.00 0.00 H new ATOM 0 HA PHE A 10 83.217 -0.403 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.002 -0.363 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.304 -0.925 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 10 82.136 -1.946 -6.201 1.00 0.00 H new ATOM 0 HD2 PHE A 10 80.274 -3.306 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 10 82.243 -4.284 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 10 80.385 -5.643 -9.004 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.369 -6.133 -6.784 1.00 0.00 H new ATOM 165 N VAL A 11 82.268 -2.418 -11.037 1.00 0.00 N ATOM 166 CA VAL A 11 82.652 -3.626 -11.765 1.00 0.00 C ATOM 167 C VAL A 11 84.080 -3.535 -12.273 1.00 0.00 C ATOM 168 O VAL A 11 84.754 -4.549 -12.443 1.00 0.00 O ATOM 169 CB VAL A 11 81.715 -3.853 -12.951 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.299 -4.094 -12.438 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.721 -2.620 -13.853 1.00 0.00 C ATOM 0 H VAL A 11 81.432 -1.955 -11.394 1.00 0.00 H new ATOM 0 HA VAL A 11 82.579 -4.463 -11.070 1.00 0.00 H new ATOM 0 HB VAL A 11 82.054 -4.720 -13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.629 -4.256 -13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.290 -4.973 -11.794 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.965 -3.225 -11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 11 81.052 -2.784 -14.698 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.383 -1.753 -13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.732 -2.442 -14.220 1.00 0.00 H new ATOM 181 N GLN A 12 84.529 -2.319 -12.545 1.00 0.00 N ATOM 182 CA GLN A 12 85.876 -2.129 -13.067 1.00 0.00 C ATOM 183 C GLN A 12 86.889 -1.797 -11.970 1.00 0.00 C ATOM 184 O GLN A 12 88.085 -2.036 -12.142 1.00 0.00 O ATOM 185 CB GLN A 12 85.871 -1.018 -14.114 1.00 0.00 C ATOM 186 CG GLN A 12 85.597 0.328 -13.445 1.00 0.00 C ATOM 187 CD GLN A 12 85.412 1.397 -14.513 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.134 2.554 -14.198 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.555 1.076 -15.769 1.00 0.00 N ATOM 0 H GLN A 12 83.992 -1.461 -12.416 1.00 0.00 H new ATOM 0 HA GLN A 12 86.184 -3.072 -13.518 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.831 -0.989 -14.630 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.110 -1.221 -14.868 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.704 0.262 -12.823 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.425 0.595 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.785 0.116 -16.027 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.436 1.784 -16.493 1.00 0.00 H new ATOM 198 N LYS A 13 86.432 -1.220 -10.856 1.00 0.00 N ATOM 199 CA LYS A 13 87.359 -0.845 -9.780 1.00 0.00 C ATOM 200 C LYS A 13 87.382 -1.830 -8.607 1.00 0.00 C ATOM 201 O LYS A 13 88.420 -2.418 -8.314 1.00 0.00 O ATOM 202 CB LYS A 13 87.018 0.551 -9.243 1.00 0.00 C ATOM 203 CG LYS A 13 87.308 1.614 -10.316 1.00 0.00 C ATOM 204 CD LYS A 13 87.755 2.920 -9.651 1.00 0.00 C ATOM 205 CE LYS A 13 88.283 3.873 -10.722 1.00 0.00 C ATOM 206 NZ LYS A 13 88.432 5.238 -10.143 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.451 -1.005 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 13 88.350 -0.859 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.968 0.592 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.603 0.758 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.084 1.257 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.416 1.789 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.919 3.377 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.530 2.719 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.243 3.519 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.599 3.899 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.250 5.712 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.572 5.791 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.578 5.165 -9.116 1.00 0.00 H new ATOM 220 N CYS A 14 86.265 -1.952 -7.891 1.00 0.00 N ATOM 221 CA CYS A 14 86.223 -2.809 -6.699 1.00 0.00 C ATOM 222 C CYS A 14 85.968 -4.287 -6.997 1.00 0.00 C ATOM 223 O CYS A 14 86.506 -5.153 -6.307 1.00 0.00 O ATOM 224 CB CYS A 14 85.160 -2.288 -5.729 1.00 0.00 C ATOM 225 SG CYS A 14 85.027 -0.482 -5.876 1.00 0.00 S ATOM 0 H CYS A 14 85.388 -1.478 -8.108 1.00 0.00 H new ATOM 0 HA CYS A 14 87.217 -2.758 -6.254 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.198 -2.752 -5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.422 -2.561 -4.707 1.00 0.00 H new ATOM 0 HG CYS A 14 84.121 -0.045 -5.052 1.00 0.00 H new ATOM 230 N ALA A 15 85.154 -4.592 -7.993 1.00 0.00 N ATOM 231 CA ALA A 15 84.868 -5.990 -8.297 1.00 0.00 C ATOM 232 C ALA A 15 86.160 -6.802 -8.356 1.00 0.00 C ATOM 233 O ALA A 15 86.162 -8.006 -8.095 1.00 0.00 O ATOM 234 CB ALA A 15 84.131 -6.100 -9.631 1.00 0.00 C ATOM 0 H ALA A 15 84.688 -3.912 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 15 84.237 -6.390 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.923 -7.148 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.193 -5.548 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.751 -5.682 -10.425 1.00 0.00 H new ATOM 240 N GLN A 16 87.257 -6.135 -8.698 1.00 0.00 N ATOM 241 CA GLN A 16 88.551 -6.803 -8.791 1.00 0.00 C ATOM 242 C GLN A 16 88.823 -7.660 -7.553 1.00 0.00 C ATOM 243 O GLN A 16 89.086 -8.858 -7.671 1.00 0.00 O ATOM 244 CB GLN A 16 89.664 -5.759 -8.953 1.00 0.00 C ATOM 245 CG GLN A 16 89.889 -5.469 -10.440 1.00 0.00 C ATOM 246 CD GLN A 16 90.973 -4.408 -10.605 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.812 -3.472 -11.388 1.00 0.00 O ATOM 248 NE2 GLN A 16 92.074 -4.500 -9.911 1.00 0.00 N ATOM 0 H GLN A 16 87.277 -5.138 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 16 88.533 -7.459 -9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.394 -4.841 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.586 -6.123 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 16 90.181 -6.383 -10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.961 -5.127 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 16 92.205 -5.277 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.804 -3.795 -10.017 1.00 0.00 H new ATOM 257 N CYS A 17 88.771 -7.047 -6.369 1.00 0.00 N ATOM 258 CA CYS A 17 89.029 -7.783 -5.128 1.00 0.00 C ATOM 259 C CYS A 17 87.928 -7.530 -4.090 1.00 0.00 C ATOM 260 O CYS A 17 88.217 -7.163 -2.950 1.00 0.00 O ATOM 261 CB CYS A 17 90.396 -7.374 -4.546 1.00 0.00 C ATOM 262 SG CYS A 17 91.426 -6.630 -5.844 1.00 0.00 S ATOM 0 H CYS A 17 88.556 -6.058 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 17 89.037 -8.847 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.256 -6.665 -3.730 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.898 -8.246 -4.127 1.00 0.00 H new ATOM 0 HG CYS A 17 92.575 -6.287 -5.343 1.00 0.00 H new ATOM 267 N HIS A 18 86.671 -7.741 -4.477 1.00 0.00 N ATOM 268 CA HIS A 18 85.559 -7.539 -3.545 1.00 0.00 C ATOM 269 C HIS A 18 84.323 -8.321 -3.987 1.00 0.00 C ATOM 270 O HIS A 18 84.363 -9.070 -4.963 1.00 0.00 O ATOM 271 CB HIS A 18 85.213 -6.049 -3.442 1.00 0.00 C ATOM 272 CG HIS A 18 86.149 -5.375 -2.473 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.894 -5.318 -1.113 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.333 -4.713 -2.659 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.906 -4.640 -0.539 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.814 -4.246 -1.437 1.00 0.00 N ATOM 0 H HIS A 18 86.398 -8.046 -5.411 1.00 0.00 H new ATOM 0 HA HIS A 18 85.873 -7.906 -2.568 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.290 -5.580 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.182 -5.928 -3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.822 -4.573 -3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.976 -4.439 0.520 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.671 -3.719 -1.266 1.00 0.00 H new ATOM 284 N THR A 19 83.229 -8.141 -3.250 1.00 0.00 N ATOM 285 CA THR A 19 81.977 -8.832 -3.551 1.00 0.00 C ATOM 286 C THR A 19 80.788 -7.888 -3.354 1.00 0.00 C ATOM 287 O THR A 19 79.853 -7.875 -4.154 1.00 0.00 O ATOM 288 CB THR A 19 81.837 -10.053 -2.632 1.00 0.00 C ATOM 289 OG1 THR A 19 83.023 -10.193 -1.864 1.00 0.00 O ATOM 290 CG2 THR A 19 81.627 -11.316 -3.469 1.00 0.00 C ATOM 0 H THR A 19 83.184 -7.523 -2.440 1.00 0.00 H new ATOM 0 HA THR A 19 81.989 -9.159 -4.591 1.00 0.00 H new ATOM 0 HB THR A 19 80.979 -9.913 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.790 -10.292 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.529 -12.178 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.721 -11.211 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.482 -11.461 -4.130 1.00 0.00 H new ATOM 298 N VAL A 20 80.842 -7.104 -2.284 1.00 0.00 N ATOM 299 CA VAL A 20 79.781 -6.148 -1.970 1.00 0.00 C ATOM 300 C VAL A 20 78.397 -6.741 -2.215 1.00 0.00 C ATOM 301 O VAL A 20 77.474 -6.028 -2.605 1.00 0.00 O ATOM 302 CB VAL A 20 79.949 -4.871 -2.799 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.343 -4.284 -2.564 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.776 -5.187 -4.285 1.00 0.00 C ATOM 0 H VAL A 20 81.612 -7.110 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 20 79.864 -5.907 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 20 79.192 -4.148 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.460 -3.376 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.465 -4.047 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.099 -5.011 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.897 -4.274 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.527 -5.915 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.781 -5.598 -4.456 1.00 0.00 H new ATOM 314 N GLU A 21 78.251 -8.040 -1.975 1.00 0.00 N ATOM 315 CA GLU A 21 76.962 -8.700 -2.168 1.00 0.00 C ATOM 316 C GLU A 21 76.626 -9.576 -0.963 1.00 0.00 C ATOM 317 O GLU A 21 77.334 -10.537 -0.661 1.00 0.00 O ATOM 318 CB GLU A 21 76.979 -9.539 -3.452 1.00 0.00 C ATOM 319 CG GLU A 21 77.736 -10.848 -3.221 1.00 0.00 C ATOM 320 CD GLU A 21 78.165 -11.446 -4.556 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.802 -10.741 -5.321 1.00 0.00 O ATOM 322 OE2 GLU A 21 77.849 -12.600 -4.796 1.00 0.00 O1- ATOM 0 H GLU A 21 78.999 -8.652 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 21 76.192 -7.935 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.958 -9.752 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.451 -8.975 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.611 -10.666 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.102 -11.554 -2.684 1.00 0.00 H new ATOM 329 N LYS A 22 75.546 -9.227 -0.275 1.00 0.00 N ATOM 330 CA LYS A 22 75.122 -9.976 0.902 1.00 0.00 C ATOM 331 C LYS A 22 75.058 -11.471 0.599 1.00 0.00 C ATOM 332 O LYS A 22 74.771 -11.875 -0.527 1.00 0.00 O ATOM 333 CB LYS A 22 73.750 -9.476 1.369 1.00 0.00 C ATOM 334 CG LYS A 22 72.647 -10.037 0.454 1.00 0.00 C ATOM 335 CD LYS A 22 72.113 -11.367 1.016 1.00 0.00 C ATOM 336 CE LYS A 22 70.759 -11.137 1.695 1.00 0.00 C ATOM 337 NZ LYS A 22 70.912 -10.126 2.780 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.950 -8.434 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 22 75.853 -9.818 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.572 -9.785 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.727 -8.386 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 71.833 -9.317 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.041 -10.191 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.008 -12.096 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.823 -11.781 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 70.027 -10.793 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 22 70.383 -12.074 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 70.069 -10.141 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.754 -10.351 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.019 -9.180 2.361 1.00 0.00 H new ATOM 351 N GLY A 23 75.324 -12.284 1.616 1.00 0.00 N ATOM 352 CA GLY A 23 75.291 -13.733 1.457 1.00 0.00 C ATOM 353 C GLY A 23 76.221 -14.187 0.337 1.00 0.00 C ATOM 354 O GLY A 23 76.030 -15.256 -0.243 1.00 0.00 O ATOM 0 H GLY A 23 75.564 -11.966 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.584 -14.211 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.272 -14.054 1.240 1.00 0.00 H new ATOM 358 N GLY A 24 77.228 -13.372 0.037 1.00 0.00 N ATOM 359 CA GLY A 24 78.180 -13.705 -1.015 1.00 0.00 C ATOM 360 C GLY A 24 79.388 -14.438 -0.445 1.00 0.00 C ATOM 361 O GLY A 24 79.259 -15.263 0.459 1.00 0.00 O ATOM 0 H GLY A 24 77.404 -12.483 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.694 -14.327 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.506 -12.794 -1.517 1.00 0.00 H new ATOM 365 N LYS A 25 80.563 -14.125 -0.979 1.00 0.00 N ATOM 366 CA LYS A 25 81.798 -14.751 -0.521 1.00 0.00 C ATOM 367 C LYS A 25 82.980 -13.810 -0.726 1.00 0.00 C ATOM 368 O LYS A 25 83.316 -13.455 -1.857 1.00 0.00 O ATOM 369 CB LYS A 25 82.040 -16.059 -1.285 1.00 0.00 C ATOM 370 CG LYS A 25 81.781 -15.846 -2.786 1.00 0.00 C ATOM 371 CD LYS A 25 80.409 -16.413 -3.163 1.00 0.00 C ATOM 372 CE LYS A 25 80.055 -15.988 -4.590 1.00 0.00 C ATOM 373 NZ LYS A 25 79.654 -14.553 -4.597 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.687 -13.443 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 25 81.701 -14.969 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.064 -16.397 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.384 -16.841 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.823 -14.783 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.560 -16.335 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.420 -17.500 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.651 -16.053 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.910 -16.141 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 79.243 -16.605 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.634 -14.479 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.867 -14.128 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.180 -14.049 -5.339 1.00 0.00 H new ATOM 387 N HIS A 26 83.605 -13.405 0.373 1.00 0.00 N ATOM 388 CA HIS A 26 84.747 -12.500 0.301 1.00 0.00 C ATOM 389 C HIS A 26 85.819 -13.059 -0.632 1.00 0.00 C ATOM 390 O HIS A 26 86.353 -14.144 -0.401 1.00 0.00 O ATOM 391 CB HIS A 26 85.337 -12.283 1.702 1.00 0.00 C ATOM 392 CG HIS A 26 85.057 -13.485 2.562 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.227 -14.781 2.100 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.619 -13.603 3.857 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.894 -15.615 3.102 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.516 -14.949 4.195 1.00 0.00 N ATOM 0 H HIS A 26 83.344 -13.686 1.318 1.00 0.00 H new ATOM 0 HA HIS A 26 84.404 -11.544 -0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.412 -12.116 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.904 -11.391 2.155 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.546 -15.053 1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.389 -12.777 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.928 -16.692 3.030 1.00 0.00 H new ATOM 405 N LYS A 27 86.127 -12.305 -1.685 1.00 0.00 N ATOM 406 CA LYS A 27 87.138 -12.722 -2.654 1.00 0.00 C ATOM 407 C LYS A 27 88.340 -11.784 -2.604 1.00 0.00 C ATOM 408 O LYS A 27 88.229 -10.602 -2.929 1.00 0.00 O ATOM 409 CB LYS A 27 86.546 -12.713 -4.067 1.00 0.00 C ATOM 410 CG LYS A 27 85.104 -13.226 -4.023 1.00 0.00 C ATOM 411 CD LYS A 27 84.653 -13.617 -5.437 1.00 0.00 C ATOM 412 CE LYS A 27 85.117 -15.045 -5.759 1.00 0.00 C ATOM 413 NZ LYS A 27 85.531 -15.119 -7.189 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.693 -11.405 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 27 87.462 -13.732 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.571 -11.703 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.146 -13.339 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.034 -14.086 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.446 -12.456 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 27 83.568 -13.553 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.065 -12.919 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.950 -15.323 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.312 -15.754 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.846 -16.085 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.725 -14.870 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.312 -14.453 -7.359 1.00 0.00 H new ATOM 427 N THR A 28 89.486 -12.317 -2.194 1.00 0.00 N ATOM 428 CA THR A 28 90.700 -11.512 -2.107 1.00 0.00 C ATOM 429 C THR A 28 90.390 -10.146 -1.499 1.00 0.00 C ATOM 430 O THR A 28 91.076 -9.161 -1.771 1.00 0.00 O ATOM 431 CB THR A 28 91.307 -11.335 -3.502 1.00 0.00 C ATOM 432 OG1 THR A 28 91.159 -12.544 -4.235 1.00 0.00 O ATOM 433 CG2 THR A 28 92.794 -10.989 -3.384 1.00 0.00 C ATOM 0 H THR A 28 89.600 -13.293 -1.919 1.00 0.00 H new ATOM 0 HA THR A 28 91.416 -12.026 -1.466 1.00 0.00 H new ATOM 0 HB THR A 28 90.792 -10.525 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.545 -12.434 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.219 -10.865 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.908 -10.062 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.315 -11.794 -2.865 1.00 0.00 H new ATOM 441 N GLY A 29 89.348 -10.101 -0.675 1.00 0.00 N ATOM 442 CA GLY A 29 88.947 -8.857 -0.027 1.00 0.00 C ATOM 443 C GLY A 29 87.746 -9.091 0.888 1.00 0.00 C ATOM 444 O GLY A 29 87.018 -10.071 0.728 1.00 0.00 O ATOM 0 H GLY A 29 88.768 -10.907 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.780 -8.457 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.696 -8.112 -0.782 1.00 0.00 H new ATOM 448 N PRO A 30 87.529 -8.217 1.836 1.00 0.00 N ATOM 449 CA PRO A 30 86.391 -8.336 2.795 1.00 0.00 C ATOM 450 C PRO A 30 85.048 -8.005 2.145 1.00 0.00 C ATOM 451 O PRO A 30 84.995 -7.362 1.097 1.00 0.00 O ATOM 452 CB PRO A 30 86.737 -7.320 3.886 1.00 0.00 C ATOM 453 CG PRO A 30 87.570 -6.287 3.201 1.00 0.00 C ATOM 454 CD PRO A 30 88.343 -7.017 2.101 1.00 0.00 C ATOM 0 HA PRO A 30 86.275 -9.353 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.837 -6.880 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.284 -7.790 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.944 -5.500 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.252 -5.809 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.448 -6.400 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.349 -7.280 2.427 1.00 0.00 H new ATOM 462 N ASN A 31 83.965 -8.446 2.781 1.00 0.00 N ATOM 463 CA ASN A 31 82.624 -8.188 2.267 1.00 0.00 C ATOM 464 C ASN A 31 82.082 -6.888 2.854 1.00 0.00 C ATOM 465 O ASN A 31 81.943 -6.758 4.068 1.00 0.00 O ATOM 466 CB ASN A 31 81.695 -9.351 2.631 1.00 0.00 C ATOM 467 CG ASN A 31 81.338 -9.300 4.113 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.461 -8.535 4.516 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.968 -10.074 4.954 1.00 0.00 N ATOM 0 H ASN A 31 83.990 -8.981 3.649 1.00 0.00 H new ATOM 0 HA ASN A 31 82.671 -8.095 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.787 -9.302 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.180 -10.299 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.734 -10.046 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.694 -10.707 4.619 1.00 0.00 H new ATOM 476 N LEU A 32 81.791 -5.923 1.988 1.00 0.00 N ATOM 477 CA LEU A 32 81.283 -4.632 2.440 1.00 0.00 C ATOM 478 C LEU A 32 79.805 -4.714 2.822 1.00 0.00 C ATOM 479 O LEU A 32 79.066 -3.741 2.676 1.00 0.00 O ATOM 480 CB LEU A 32 81.463 -3.574 1.345 1.00 0.00 C ATOM 481 CG LEU A 32 82.816 -3.746 0.641 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.115 -2.496 -0.203 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.926 -3.936 1.680 1.00 0.00 C ATOM 0 H LEU A 32 81.897 -6.008 0.977 1.00 0.00 H new ATOM 0 HA LEU A 32 81.855 -4.349 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.656 -3.656 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.399 -2.577 1.781 1.00 0.00 H new ATOM 0 HG LEU A 32 82.775 -4.624 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.076 -2.616 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.331 -2.364 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.151 -1.620 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.883 -4.057 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.969 -3.063 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.717 -4.824 2.277 1.00 0.00 H new ATOM 495 N HIS A 33 79.376 -5.870 3.318 1.00 0.00 N ATOM 496 CA HIS A 33 77.982 -6.038 3.724 1.00 0.00 C ATOM 497 C HIS A 33 77.631 -5.028 4.812 1.00 0.00 C ATOM 498 O HIS A 33 78.429 -4.785 5.717 1.00 0.00 O ATOM 499 CB HIS A 33 77.751 -7.454 4.257 1.00 0.00 C ATOM 500 CG HIS A 33 78.046 -8.460 3.178 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.251 -9.801 3.458 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.167 -8.337 1.816 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.482 -10.429 2.289 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.443 -9.583 1.257 1.00 0.00 N ATOM 0 H HIS A 33 79.962 -6.694 3.448 1.00 0.00 H new ATOM 0 HA HIS A 33 77.346 -5.874 2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.390 -7.636 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.720 -7.561 4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.064 -7.415 1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.675 -11.488 2.198 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.585 -9.802 0.271 1.00 0.00 H new ATOM 513 N GLY A 34 76.440 -4.439 4.722 1.00 0.00 N ATOM 514 CA GLY A 34 76.006 -3.452 5.712 1.00 0.00 C ATOM 515 C GLY A 34 77.187 -2.607 6.180 1.00 0.00 C ATOM 516 O GLY A 34 77.218 -2.128 7.314 1.00 0.00 O ATOM 0 H GLY A 34 75.763 -4.625 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.240 -2.808 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.554 -3.959 6.565 1.00 0.00 H new ATOM 520 N LEU A 35 78.158 -2.441 5.291 1.00 0.00 N ATOM 521 CA LEU A 35 79.357 -1.667 5.592 1.00 0.00 C ATOM 522 C LEU A 35 79.004 -0.361 6.304 1.00 0.00 C ATOM 523 O LEU A 35 79.480 -0.086 7.403 1.00 0.00 O ATOM 524 CB LEU A 35 80.088 -1.367 4.274 1.00 0.00 C ATOM 525 CG LEU A 35 81.290 -0.434 4.510 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.549 -1.268 4.756 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.507 0.448 3.274 1.00 0.00 C ATOM 0 H LEU A 35 78.139 -2.834 4.350 1.00 0.00 H new ATOM 0 HA LEU A 35 79.999 -2.244 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.429 -2.299 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.398 -0.905 3.568 1.00 0.00 H new ATOM 0 HG LEU A 35 81.090 0.193 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.398 -0.605 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.403 -1.898 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.745 -1.896 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.358 1.108 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.703 -0.183 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.614 1.047 3.093 1.00 0.00 H new ATOM 539 N PHE A 36 78.178 0.443 5.660 1.00 0.00 N ATOM 540 CA PHE A 36 77.779 1.728 6.222 1.00 0.00 C ATOM 541 C PHE A 36 77.225 1.577 7.639 1.00 0.00 C ATOM 542 O PHE A 36 76.030 1.343 7.822 1.00 0.00 O ATOM 543 CB PHE A 36 76.723 2.379 5.321 1.00 0.00 C ATOM 544 CG PHE A 36 77.191 2.342 3.883 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.029 1.177 3.122 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.796 3.470 3.312 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.471 1.139 1.795 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.237 3.431 1.986 1.00 0.00 C ATOM 549 CZ PHE A 36 78.077 2.266 1.226 1.00 0.00 C ATOM 0 H PHE A 36 77.769 0.233 4.749 1.00 0.00 H new ATOM 0 HA PHE A 36 78.665 2.361 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.773 1.853 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.551 3.409 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.562 0.307 3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.922 4.369 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.345 0.240 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.702 4.301 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.420 2.237 0.202 1.00 0.00 H new ATOM 559 N GLY A 37 78.093 1.740 8.643 1.00 0.00 N ATOM 560 CA GLY A 37 77.654 1.642 10.037 1.00 0.00 C ATOM 561 C GLY A 37 78.644 0.877 10.920 1.00 0.00 C ATOM 562 O GLY A 37 78.702 1.106 12.128 1.00 0.00 O ATOM 0 H GLY A 37 79.086 1.937 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.515 2.645 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.684 1.146 10.073 1.00 0.00 H new ATOM 566 N ARG A 38 79.404 -0.042 10.331 1.00 0.00 N ATOM 567 CA ARG A 38 80.359 -0.836 11.112 1.00 0.00 C ATOM 568 C ARG A 38 81.714 -0.134 11.227 1.00 0.00 C ATOM 569 O ARG A 38 82.102 0.645 10.356 1.00 0.00 O ATOM 570 CB ARG A 38 80.549 -2.212 10.461 1.00 0.00 C ATOM 571 CG ARG A 38 79.635 -3.252 11.131 1.00 0.00 C ATOM 572 CD ARG A 38 80.030 -4.664 10.671 1.00 0.00 C ATOM 573 NE ARG A 38 79.147 -5.110 9.594 1.00 0.00 N ATOM 574 CZ ARG A 38 79.611 -5.767 8.527 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.889 -6.014 8.400 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.781 -6.164 7.602 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.382 -0.256 9.334 1.00 0.00 H new ATOM 0 HA ARG A 38 79.951 -0.953 12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.323 -2.152 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.590 -2.523 10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.716 -3.177 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.594 -3.054 10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.064 -4.666 10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.971 -5.357 11.510 1.00 0.00 H new ATOM 0 HE ARG A 38 78.148 -4.914 9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.542 -5.704 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.232 -6.516 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.784 -5.972 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.130 -6.666 6.785 1.00 0.00 H new ATOM 590 N LYS A 39 82.430 -0.427 12.316 1.00 0.00 N ATOM 591 CA LYS A 39 83.744 0.167 12.557 1.00 0.00 C ATOM 592 C LYS A 39 84.793 -0.440 11.624 1.00 0.00 C ATOM 593 O LYS A 39 84.551 -1.465 10.989 1.00 0.00 O ATOM 594 CB LYS A 39 84.158 -0.059 14.018 1.00 0.00 C ATOM 595 CG LYS A 39 83.659 1.099 14.894 1.00 0.00 C ATOM 596 CD LYS A 39 84.673 2.250 14.867 1.00 0.00 C ATOM 597 CE LYS A 39 84.263 3.314 15.889 1.00 0.00 C ATOM 598 NZ LYS A 39 82.777 3.409 15.939 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.120 -1.072 13.043 1.00 0.00 H new ATOM 0 HA LYS A 39 83.680 1.237 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.746 -1.002 14.379 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.243 -0.137 14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.691 1.447 14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.514 0.755 15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.671 1.876 15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.718 2.687 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.655 3.058 16.873 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.691 4.279 15.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.501 4.285 16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.397 3.419 14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.394 2.590 16.453 1.00 0.00 H new ATOM 612 N THR A 40 85.956 0.207 11.546 1.00 0.00 N ATOM 613 CA THR A 40 87.034 -0.268 10.682 1.00 0.00 C ATOM 614 C THR A 40 87.551 -1.631 11.127 1.00 0.00 C ATOM 615 O THR A 40 87.622 -1.926 12.321 1.00 0.00 O ATOM 616 CB THR A 40 88.185 0.742 10.678 1.00 0.00 C ATOM 617 OG1 THR A 40 88.477 1.129 12.011 1.00 0.00 O ATOM 618 CG2 THR A 40 87.783 1.973 9.865 1.00 0.00 C ATOM 0 H THR A 40 86.174 1.056 12.068 1.00 0.00 H new ATOM 0 HA THR A 40 86.630 -0.371 9.675 1.00 0.00 H new ATOM 0 HB THR A 40 89.068 0.285 10.230 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.134 0.511 12.395 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.603 2.691 9.863 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.559 1.675 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.900 2.431 10.311 1.00 0.00 H new ATOM 626 N GLY A 41 87.917 -2.455 10.148 1.00 0.00 N ATOM 627 CA GLY A 41 88.438 -3.788 10.428 1.00 0.00 C ATOM 628 C GLY A 41 87.595 -4.504 11.475 1.00 0.00 C ATOM 629 O GLY A 41 88.122 -5.021 12.461 1.00 0.00 O ATOM 0 H GLY A 41 87.862 -2.223 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.455 -4.374 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.468 -3.712 10.777 1.00 0.00 H new ATOM 633 N GLN A 42 86.285 -4.525 11.260 1.00 0.00 N ATOM 634 CA GLN A 42 85.371 -5.178 12.197 1.00 0.00 C ATOM 635 C GLN A 42 84.677 -6.368 11.541 1.00 0.00 C ATOM 636 O GLN A 42 84.152 -7.245 12.226 1.00 0.00 O ATOM 637 CB GLN A 42 84.317 -4.177 12.676 1.00 0.00 C ATOM 638 CG GLN A 42 83.571 -4.759 13.878 1.00 0.00 C ATOM 639 CD GLN A 42 82.620 -3.717 14.456 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.974 -3.002 15.393 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.425 -3.586 13.948 1.00 0.00 N ATOM 0 H GLN A 42 85.831 -4.101 10.451 1.00 0.00 H new ATOM 0 HA GLN A 42 85.952 -5.537 13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.792 -3.235 12.951 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.616 -3.957 11.871 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.013 -5.645 13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.283 -5.076 14.640 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.133 -4.179 13.171 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.783 -2.890 14.328 1.00 0.00 H new ATOM 701 N THR A 47 91.592 -11.102 7.034 1.00 0.00 N ATOM 702 CA THR A 47 92.588 -10.740 8.039 1.00 0.00 C ATOM 703 C THR A 47 92.861 -9.239 8.006 1.00 0.00 C ATOM 704 O THR A 47 93.773 -8.779 7.318 1.00 0.00 O ATOM 705 CB THR A 47 93.889 -11.503 7.783 1.00 0.00 C ATOM 706 OG1 THR A 47 93.591 -12.864 7.503 1.00 0.00 O ATOM 707 CG2 THR A 47 94.786 -11.417 9.019 1.00 0.00 C ATOM 0 HA THR A 47 92.199 -11.006 9.022 1.00 0.00 H new ATOM 0 HB THR A 47 94.407 -11.062 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.700 -12.928 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.712 -11.961 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.015 -10.372 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.271 -11.856 9.874 1.00 0.00 H new ATOM 715 N TYR A 48 92.066 -8.484 8.754 1.00 0.00 N ATOM 716 CA TYR A 48 92.226 -7.034 8.807 1.00 0.00 C ATOM 717 C TYR A 48 93.545 -6.660 9.471 1.00 0.00 C ATOM 718 O TYR A 48 94.046 -7.383 10.334 1.00 0.00 O ATOM 719 CB TYR A 48 91.069 -6.413 9.594 1.00 0.00 C ATOM 720 CG TYR A 48 89.883 -6.210 8.685 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.965 -5.292 7.634 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.700 -6.925 8.900 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.866 -5.089 6.794 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.599 -6.720 8.061 1.00 0.00 C ATOM 725 CZ TYR A 48 87.682 -5.804 7.009 1.00 0.00 C ATOM 726 OH TYR A 48 86.594 -5.600 6.187 1.00 0.00 O ATOM 0 H TYR A 48 91.307 -8.848 9.330 1.00 0.00 H new ATOM 0 HA TYR A 48 92.225 -6.652 7.786 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.794 -7.061 10.426 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.379 -5.459 10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.878 -4.739 7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.637 -7.634 9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.930 -4.382 5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.684 -7.270 8.227 1.00 0.00 H new ATOM 0 HH TYR A 48 85.855 -6.176 6.473 1.00 0.00 H new ATOM 736 N THR A 49 94.099 -5.519 9.070 1.00 0.00 N ATOM 737 CA THR A 49 95.357 -5.051 9.643 1.00 0.00 C ATOM 738 C THR A 49 95.097 -4.310 10.950 1.00 0.00 C ATOM 739 O THR A 49 93.995 -3.817 11.185 1.00 0.00 O ATOM 740 CB THR A 49 96.068 -4.120 8.658 1.00 0.00 C ATOM 741 OG1 THR A 49 95.302 -2.935 8.492 1.00 0.00 O ATOM 742 CG2 THR A 49 96.224 -4.821 7.307 1.00 0.00 C ATOM 0 H THR A 49 93.701 -4.907 8.358 1.00 0.00 H new ATOM 0 HA THR A 49 95.991 -5.915 9.843 1.00 0.00 H new ATOM 0 HB THR A 49 97.054 -3.866 9.047 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.467 -3.148 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.731 -4.155 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.813 -5.730 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.240 -5.078 6.915 1.00 0.00 H new ATOM 750 N ASP A 50 96.118 -4.235 11.798 1.00 0.00 N ATOM 751 CA ASP A 50 95.985 -3.551 13.079 1.00 0.00 C ATOM 752 C ASP A 50 95.451 -2.137 12.878 1.00 0.00 C ATOM 753 O ASP A 50 94.659 -1.643 13.681 1.00 0.00 O ATOM 754 CB ASP A 50 97.340 -3.496 13.787 1.00 0.00 C ATOM 755 CG ASP A 50 98.090 -4.807 13.582 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.313 -5.167 12.437 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.432 -5.433 14.571 1.00 0.00 O1- ATOM 0 H ASP A 50 97.039 -4.636 11.623 1.00 0.00 H new ATOM 0 HA ASP A 50 95.279 -4.108 13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.929 -2.666 13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.196 -3.313 14.852 1.00 0.00 H new ATOM 762 N ALA A 51 95.891 -1.491 11.804 1.00 0.00 N ATOM 763 CA ALA A 51 95.452 -0.132 11.507 1.00 0.00 C ATOM 764 C ALA A 51 93.939 -0.080 11.328 1.00 0.00 C ATOM 765 O ALA A 51 93.282 0.844 11.804 1.00 0.00 O ATOM 766 CB ALA A 51 96.131 0.367 10.233 1.00 0.00 C ATOM 0 H ALA A 51 96.547 -1.883 11.128 1.00 0.00 H new ATOM 0 HA ALA A 51 95.729 0.508 12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.799 1.382 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.212 0.361 10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.867 -0.286 9.401 1.00 0.00 H new ATOM 772 N ASN A 52 93.393 -1.072 10.635 1.00 0.00 N ATOM 773 CA ASN A 52 91.954 -1.125 10.397 1.00 0.00 C ATOM 774 C ASN A 52 91.238 -1.694 11.620 1.00 0.00 C ATOM 775 O ASN A 52 90.063 -1.410 11.856 1.00 0.00 O ATOM 776 CB ASN A 52 91.669 -1.996 9.161 1.00 0.00 C ATOM 777 CG ASN A 52 90.792 -1.248 8.156 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.667 -0.025 8.221 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.178 -1.918 7.220 1.00 0.00 N ATOM 0 H ASN A 52 93.920 -1.846 10.230 1.00 0.00 H new ATOM 0 HA ASN A 52 91.583 -0.116 10.217 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.609 -2.281 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.173 -2.917 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.594 -1.429 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.282 -2.931 7.166 1.00 0.00 H new ATOM 786 N LYS A 53 91.963 -2.486 12.401 1.00 0.00 N ATOM 787 CA LYS A 53 91.404 -3.082 13.604 1.00 0.00 C ATOM 788 C LYS A 53 91.542 -2.098 14.756 1.00 0.00 C ATOM 789 O LYS A 53 90.985 -2.295 15.836 1.00 0.00 O ATOM 790 CB LYS A 53 92.140 -4.402 13.906 1.00 0.00 C ATOM 791 CG LYS A 53 92.325 -4.595 15.416 1.00 0.00 C ATOM 792 CD LYS A 53 92.957 -5.963 15.683 1.00 0.00 C ATOM 793 CE LYS A 53 92.753 -6.344 17.150 1.00 0.00 C ATOM 794 NZ LYS A 53 91.332 -6.736 17.369 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.937 -2.729 12.222 1.00 0.00 H new ATOM 0 HA LYS A 53 90.346 -3.304 13.464 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.576 -5.239 13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.113 -4.401 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.959 -3.805 15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.363 -4.522 15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.507 -6.715 15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.021 -5.935 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.414 -7.168 17.418 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.013 -5.504 17.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.263 -7.332 18.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 90.752 -5.882 17.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 90.988 -7.268 16.544 1.00 0.00 H new ATOM 808 N ASN A 54 92.288 -1.029 14.505 1.00 0.00 N ATOM 809 CA ASN A 54 92.501 -0.003 15.513 1.00 0.00 C ATOM 810 C ASN A 54 91.187 0.688 15.842 1.00 0.00 C ATOM 811 O ASN A 54 91.051 1.336 16.879 1.00 0.00 O ATOM 812 CB ASN A 54 93.506 1.025 14.991 1.00 0.00 C ATOM 813 CG ASN A 54 92.801 2.096 14.160 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.154 3.273 14.234 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.821 1.757 13.367 1.00 0.00 N ATOM 0 H ASN A 54 92.753 -0.852 13.615 1.00 0.00 H new ATOM 0 HA ASN A 54 92.892 -0.468 16.418 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.025 1.491 15.828 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.262 0.526 14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.348 2.467 12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.529 0.782 13.306 1.00 0.00 H new ATOM 822 N LYS A 55 90.227 0.541 14.941 1.00 0.00 N ATOM 823 CA LYS A 55 88.913 1.151 15.130 1.00 0.00 C ATOM 824 C LYS A 55 89.044 2.661 15.301 1.00 0.00 C ATOM 825 O LYS A 55 88.730 3.204 16.359 1.00 0.00 O ATOM 826 CB LYS A 55 88.230 0.557 16.365 1.00 0.00 C ATOM 827 CG LYS A 55 87.944 -0.929 16.130 1.00 0.00 C ATOM 828 CD LYS A 55 87.736 -1.630 17.477 1.00 0.00 C ATOM 829 CE LYS A 55 87.000 -2.955 17.263 1.00 0.00 C ATOM 830 NZ LYS A 55 85.539 -2.696 17.127 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.329 0.009 14.077 1.00 0.00 H new ATOM 0 HA LYS A 55 88.309 0.944 14.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.868 0.681 17.240 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.301 1.088 16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.057 -1.045 15.507 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.773 -1.389 15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 55 88.698 -1.811 17.956 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.163 -0.989 18.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.377 -3.452 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 55 87.185 -3.625 18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.029 -3.172 17.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.362 -1.672 17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.205 -3.063 16.213 1.00 0.00 H new ATOM 844 N GLY A 56 89.516 3.334 14.255 1.00 0.00 N ATOM 845 CA GLY A 56 89.691 4.782 14.309 1.00 0.00 C ATOM 846 C GLY A 56 88.408 5.514 13.931 1.00 0.00 C ATOM 847 O GLY A 56 88.053 6.516 14.549 1.00 0.00 O ATOM 0 H GLY A 56 89.782 2.905 13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.996 5.076 15.313 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.493 5.078 13.633 1.00 0.00 H new ATOM 851 N ILE A 57 87.716 5.012 12.912 1.00 0.00 N ATOM 852 CA ILE A 57 86.473 5.637 12.466 1.00 0.00 C ATOM 853 C ILE A 57 85.478 4.581 11.997 1.00 0.00 C ATOM 854 O ILE A 57 85.796 3.392 11.954 1.00 0.00 O ATOM 855 CB ILE A 57 86.764 6.627 11.334 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.244 5.867 10.087 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.854 7.601 11.785 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.049 5.318 9.294 1.00 0.00 C ATOM 0 H ILE A 57 87.990 4.183 12.384 1.00 0.00 H new ATOM 0 HA ILE A 57 86.033 6.174 13.306 1.00 0.00 H new ATOM 0 HB ILE A 57 85.854 7.176 11.091 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.833 6.531 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.898 5.047 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.065 8.308 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.515 8.144 12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.760 7.046 12.027 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.410 4.784 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.477 4.637 9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.411 6.144 8.979 1.00 0.00 H new ATOM 870 N THR A 58 84.270 5.024 11.655 1.00 0.00 N ATOM 871 CA THR A 58 83.223 4.108 11.202 1.00 0.00 C ATOM 872 C THR A 58 82.903 4.321 9.726 1.00 0.00 C ATOM 873 O THR A 58 82.853 5.455 9.249 1.00 0.00 O ATOM 874 CB THR A 58 81.955 4.326 12.031 1.00 0.00 C ATOM 875 OG1 THR A 58 82.231 4.042 13.395 1.00 0.00 O ATOM 876 CG2 THR A 58 80.845 3.401 11.530 1.00 0.00 C ATOM 0 H THR A 58 83.992 6.005 11.682 1.00 0.00 H new ATOM 0 HA THR A 58 83.585 3.088 11.333 1.00 0.00 H new ATOM 0 HB THR A 58 81.630 5.362 11.931 1.00 0.00 H new ATOM 0 HG1 THR A 58 82.521 4.861 13.848 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.944 3.559 12.123 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.634 3.620 10.483 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.165 2.363 11.626 1.00 0.00 H new ATOM 884 N TRP A 59 82.670 3.222 9.011 1.00 0.00 N ATOM 885 CA TRP A 59 82.338 3.309 7.595 1.00 0.00 C ATOM 886 C TRP A 59 81.014 4.041 7.417 1.00 0.00 C ATOM 887 O TRP A 59 80.043 3.776 8.126 1.00 0.00 O ATOM 888 CB TRP A 59 82.224 1.915 6.971 1.00 0.00 C ATOM 889 CG TRP A 59 83.364 1.049 7.412 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.648 1.452 7.520 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.344 -0.361 7.794 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.418 0.382 7.941 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.658 -0.755 8.131 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.325 -1.324 7.882 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.948 -2.059 8.544 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.614 -2.636 8.293 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.923 -3.001 8.625 1.00 0.00 C ATOM 0 H TRP A 59 82.705 2.274 9.385 1.00 0.00 H new ATOM 0 HA TRP A 59 83.138 3.856 7.095 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.278 1.457 7.260 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.220 1.996 5.884 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.014 2.446 7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.426 0.428 8.093 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.310 -1.053 7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.960 -2.335 8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.821 -3.367 8.353 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.139 -4.010 8.943 1.00 0.00 H new ATOM 908 N LYS A 60 80.984 4.962 6.464 1.00 0.00 N ATOM 909 CA LYS A 60 79.779 5.734 6.190 1.00 0.00 C ATOM 910 C LYS A 60 79.804 6.219 4.746 1.00 0.00 C ATOM 911 O LYS A 60 80.586 5.722 3.937 1.00 0.00 O ATOM 912 CB LYS A 60 79.696 6.932 7.140 1.00 0.00 C ATOM 913 CG LYS A 60 79.500 6.434 8.577 1.00 0.00 C ATOM 914 CD LYS A 60 79.088 7.602 9.477 1.00 0.00 C ATOM 915 CE LYS A 60 80.310 8.471 9.784 1.00 0.00 C ATOM 916 NZ LYS A 60 79.941 9.513 10.784 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.779 5.193 5.868 1.00 0.00 H new ATOM 0 HA LYS A 60 78.905 5.102 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.606 7.528 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.868 7.581 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.736 5.657 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.423 5.986 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.319 8.199 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.655 7.225 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.121 7.853 10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.674 8.941 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.771 10.103 10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.180 10.109 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.614 9.055 11.658 1.00 0.00 H new ATOM 930 N GLU A 61 78.956 7.184 4.421 1.00 0.00 N ATOM 931 CA GLU A 61 78.915 7.708 3.064 1.00 0.00 C ATOM 932 C GLU A 61 80.145 8.567 2.787 1.00 0.00 C ATOM 933 O GLU A 61 80.916 8.286 1.871 1.00 0.00 O ATOM 934 CB GLU A 61 77.651 8.546 2.866 1.00 0.00 C ATOM 935 CG GLU A 61 77.454 8.832 1.376 1.00 0.00 C ATOM 936 CD GLU A 61 76.311 9.822 1.182 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.177 9.440 1.415 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.588 10.949 0.805 1.00 0.00 O ATOM 0 H GLU A 61 78.296 7.615 5.068 1.00 0.00 H new ATOM 0 HA GLU A 61 78.906 6.868 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.785 8.016 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.733 9.482 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.372 9.236 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.237 7.905 0.845 1.00 0.00 H new ATOM 945 N GLU A 62 80.326 9.611 3.590 1.00 0.00 N ATOM 946 CA GLU A 62 81.468 10.504 3.418 1.00 0.00 C ATOM 947 C GLU A 62 82.773 9.784 3.738 1.00 0.00 C ATOM 948 O GLU A 62 83.718 9.817 2.950 1.00 0.00 O ATOM 949 CB GLU A 62 81.320 11.723 4.329 1.00 0.00 C ATOM 950 CG GLU A 62 79.952 12.369 4.100 1.00 0.00 C ATOM 951 CD GLU A 62 79.859 13.683 4.870 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.624 14.582 4.562 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 79.026 13.770 5.758 1.00 0.00 O ATOM 0 H GLU A 62 79.704 9.858 4.359 1.00 0.00 H new ATOM 0 HA GLU A 62 81.494 10.827 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.423 11.425 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.113 12.442 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.800 12.550 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.162 11.692 4.424 1.00 0.00 H new ATOM 960 N THR A 63 82.822 9.133 4.893 1.00 0.00 N ATOM 961 CA THR A 63 84.023 8.408 5.292 1.00 0.00 C ATOM 962 C THR A 63 84.545 7.592 4.123 1.00 0.00 C ATOM 963 O THR A 63 85.752 7.503 3.898 1.00 0.00 O ATOM 964 CB THR A 63 83.709 7.474 6.459 1.00 0.00 C ATOM 965 OG1 THR A 63 82.652 6.605 6.090 1.00 0.00 O ATOM 966 CG2 THR A 63 83.292 8.298 7.672 1.00 0.00 C ATOM 0 H THR A 63 82.054 9.091 5.563 1.00 0.00 H new ATOM 0 HA THR A 63 84.780 9.129 5.601 1.00 0.00 H new ATOM 0 HB THR A 63 84.594 6.888 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.003 5.883 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.068 7.632 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.104 8.969 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.406 8.883 7.427 1.00 0.00 H new ATOM 974 N LEU A 64 83.620 7.002 3.377 1.00 0.00 N ATOM 975 CA LEU A 64 83.990 6.197 2.225 1.00 0.00 C ATOM 976 C LEU A 64 84.550 7.087 1.116 1.00 0.00 C ATOM 977 O LEU A 64 85.436 6.675 0.373 1.00 0.00 O ATOM 978 CB LEU A 64 82.772 5.424 1.704 1.00 0.00 C ATOM 979 CG LEU A 64 82.843 3.960 2.157 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.495 3.277 1.893 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.960 3.235 1.384 1.00 0.00 C ATOM 0 H LEU A 64 82.617 7.066 3.548 1.00 0.00 H new ATOM 0 HA LEU A 64 84.757 5.486 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.855 5.883 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.738 5.475 0.616 1.00 0.00 H new ATOM 0 HG LEU A 64 83.063 3.918 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.545 2.237 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.711 3.792 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.270 3.317 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.010 2.195 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.747 3.274 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.915 3.722 1.582 1.00 0.00 H new ATOM 993 N MET A 65 84.022 8.307 1.003 1.00 0.00 N ATOM 994 CA MET A 65 84.489 9.225 -0.036 1.00 0.00 C ATOM 995 C MET A 65 85.964 9.558 0.151 1.00 0.00 C ATOM 996 O MET A 65 86.776 9.336 -0.747 1.00 0.00 O ATOM 997 CB MET A 65 83.671 10.518 -0.015 1.00 0.00 C ATOM 998 CG MET A 65 82.209 10.197 -0.312 1.00 0.00 C ATOM 999 SD MET A 65 81.196 11.674 -0.036 1.00 0.00 S ATOM 1000 CE MET A 65 80.959 12.119 -1.771 1.00 0.00 C ATOM 0 H MET A 65 83.286 8.677 1.605 1.00 0.00 H new ATOM 0 HA MET A 65 84.359 8.729 -0.998 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.758 11.001 0.958 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.059 11.219 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.102 9.858 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.867 9.384 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.264 12.956 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.916 12.405 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.554 11.265 -2.314 1.00 0.00 H new ATOM 1010 N GLU A 66 86.308 10.084 1.320 1.00 0.00 N ATOM 1011 CA GLU A 66 87.695 10.430 1.601 1.00 0.00 C ATOM 1012 C GLU A 66 88.562 9.183 1.514 1.00 0.00 C ATOM 1013 O GLU A 66 89.735 9.246 1.144 1.00 0.00 O ATOM 1014 CB GLU A 66 87.808 11.041 2.998 1.00 0.00 C ATOM 1015 CG GLU A 66 86.892 12.263 3.098 1.00 0.00 C ATOM 1016 CD GLU A 66 87.225 13.064 4.352 1.00 0.00 C ATOM 1017 OE1 GLU A 66 86.959 12.568 5.435 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.739 14.161 4.212 1.00 0.00 O1- ATOM 0 H GLU A 66 85.655 10.278 2.079 1.00 0.00 H new ATOM 0 HA GLU A 66 88.037 11.159 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.532 10.304 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.840 11.330 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.011 12.890 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.850 11.945 3.126 1.00 0.00 H new ATOM 1025 N TYR A 67 87.964 8.048 1.853 1.00 0.00 N ATOM 1026 CA TYR A 67 88.667 6.772 1.811 1.00 0.00 C ATOM 1027 C TYR A 67 88.761 6.265 0.374 1.00 0.00 C ATOM 1028 O TYR A 67 89.680 5.528 0.022 1.00 0.00 O ATOM 1029 CB TYR A 67 87.922 5.757 2.684 1.00 0.00 C ATOM 1030 CG TYR A 67 88.390 4.353 2.382 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.810 3.634 1.330 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.397 3.767 3.158 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.238 2.330 1.053 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.825 2.463 2.882 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.245 1.745 1.829 1.00 0.00 C ATOM 1036 OH TYR A 67 89.667 0.459 1.557 1.00 0.00 O ATOM 0 H TYR A 67 86.993 7.985 2.160 1.00 0.00 H new ATOM 0 HA TYR A 67 89.679 6.905 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.089 5.983 3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.849 5.835 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.032 4.085 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.844 4.321 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.791 1.776 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.602 2.011 3.481 1.00 0.00 H new ATOM 0 HH TYR A 67 89.884 0.380 0.605 1.00 0.00 H new ATOM 1046 N LEU A 68 87.800 6.670 -0.450 1.00 0.00 N ATOM 1047 CA LEU A 68 87.774 6.252 -1.847 1.00 0.00 C ATOM 1048 C LEU A 68 88.770 7.070 -2.669 1.00 0.00 C ATOM 1049 O LEU A 68 89.229 6.628 -3.722 1.00 0.00 O ATOM 1050 CB LEU A 68 86.359 6.434 -2.418 1.00 0.00 C ATOM 1051 CG LEU A 68 85.517 5.173 -2.184 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.105 5.409 -2.703 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.116 3.984 -2.932 1.00 0.00 C ATOM 0 H LEU A 68 87.033 7.284 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 68 88.055 5.200 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.878 7.292 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.416 6.647 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 68 85.502 4.958 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.503 4.515 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.658 6.250 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.142 5.631 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.506 3.098 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.140 4.201 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.130 3.804 -2.576 1.00 0.00 H new ATOM 1065 N GLU A 69 89.100 8.259 -2.178 1.00 0.00 N ATOM 1066 CA GLU A 69 90.040 9.132 -2.867 1.00 0.00 C ATOM 1067 C GLU A 69 91.461 8.847 -2.385 1.00 0.00 C ATOM 1068 O GLU A 69 92.438 9.278 -2.998 1.00 0.00 O ATOM 1069 CB GLU A 69 89.661 10.595 -2.594 1.00 0.00 C ATOM 1070 CG GLU A 69 90.893 11.491 -2.707 1.00 0.00 C ATOM 1071 CD GLU A 69 90.469 12.954 -2.794 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.402 13.272 -2.294 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 91.217 13.734 -3.359 1.00 0.00 O ATOM 0 H GLU A 69 88.731 8.639 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 69 89.998 8.947 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.900 10.919 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.227 10.686 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.541 11.343 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.471 11.218 -3.590 1.00 0.00 H new ATOM 1080 N ASN A 70 91.565 8.114 -1.283 1.00 0.00 N ATOM 1081 CA ASN A 70 92.865 7.770 -0.721 1.00 0.00 C ATOM 1082 C ASN A 70 92.714 6.697 0.353 1.00 0.00 C ATOM 1083 O ASN A 70 92.966 6.939 1.533 1.00 0.00 O ATOM 1084 CB ASN A 70 93.519 9.014 -0.120 1.00 0.00 C ATOM 1085 CG ASN A 70 92.616 9.614 0.953 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.774 10.460 0.654 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.742 9.225 2.193 1.00 0.00 N ATOM 0 H ASN A 70 90.768 7.748 -0.763 1.00 0.00 H new ATOM 0 HA ASN A 70 93.497 7.381 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.486 8.754 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.706 9.750 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.142 9.622 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.441 8.524 2.439 1.00 0.00 H new ATOM 1094 N PRO A 71 92.304 5.523 -0.042 1.00 0.00 N ATOM 1095 CA PRO A 71 92.101 4.376 0.891 1.00 0.00 C ATOM 1096 C PRO A 71 93.279 4.172 1.845 1.00 0.00 C ATOM 1097 O PRO A 71 93.093 3.804 3.006 1.00 0.00 O ATOM 1098 CB PRO A 71 91.950 3.173 -0.046 1.00 0.00 C ATOM 1099 CG PRO A 71 91.451 3.733 -1.338 1.00 0.00 C ATOM 1100 CD PRO A 71 91.986 5.163 -1.433 1.00 0.00 C ATOM 0 HA PRO A 71 91.242 4.535 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.902 2.660 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.250 2.443 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.798 3.133 -2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.361 3.725 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.869 5.216 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.244 5.838 -1.859 1.00 0.00 H new ATOM 1108 N LYS A 72 94.488 4.391 1.342 1.00 0.00 N ATOM 1109 CA LYS A 72 95.687 4.204 2.154 1.00 0.00 C ATOM 1110 C LYS A 72 95.934 5.388 3.086 1.00 0.00 C ATOM 1111 O LYS A 72 96.208 5.204 4.271 1.00 0.00 O ATOM 1112 CB LYS A 72 96.903 4.018 1.242 1.00 0.00 C ATOM 1113 CG LYS A 72 98.141 3.659 2.086 1.00 0.00 C ATOM 1114 CD LYS A 72 98.589 2.223 1.782 1.00 0.00 C ATOM 1115 CE LYS A 72 97.579 1.231 2.364 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.403 1.499 3.820 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.665 4.696 0.385 1.00 0.00 H new ATOM 0 HA LYS A 72 95.534 3.317 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.706 3.230 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.089 4.932 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.952 4.355 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.909 3.759 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.675 2.079 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.576 2.043 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.623 1.323 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 97.927 0.209 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.168 0.612 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.285 1.887 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.633 2.185 3.956 1.00 0.00 H new ATOM 1130 N LYS A 73 95.859 6.600 2.546 1.00 0.00 N ATOM 1131 CA LYS A 73 96.104 7.792 3.351 1.00 0.00 C ATOM 1132 C LYS A 73 95.035 7.965 4.429 1.00 0.00 C ATOM 1133 O LYS A 73 95.221 8.726 5.378 1.00 0.00 O ATOM 1134 CB LYS A 73 96.139 9.036 2.454 1.00 0.00 C ATOM 1135 CG LYS A 73 97.079 10.085 3.061 1.00 0.00 C ATOM 1136 CD LYS A 73 96.926 11.415 2.313 1.00 0.00 C ATOM 1137 CE LYS A 73 95.808 12.245 2.951 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.289 12.817 4.241 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.634 6.782 1.568 1.00 0.00 H new ATOM 0 HA LYS A 73 97.069 7.670 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.478 8.766 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.136 9.449 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.850 10.223 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.111 9.740 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.864 11.969 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.699 11.228 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.504 13.046 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.930 11.622 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.703 13.638 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.220 12.096 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 97.280 13.117 4.140 1.00 0.00 H new ATOM 1152 N TYR A 74 93.916 7.262 4.281 1.00 0.00 N ATOM 1153 CA TYR A 74 92.837 7.363 5.259 1.00 0.00 C ATOM 1154 C TYR A 74 93.169 6.545 6.504 1.00 0.00 C ATOM 1155 O TYR A 74 93.206 7.076 7.613 1.00 0.00 O ATOM 1156 CB TYR A 74 91.520 6.872 4.642 1.00 0.00 C ATOM 1157 CG TYR A 74 90.357 7.634 5.244 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.265 9.021 5.070 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.376 6.955 5.978 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.193 9.726 5.628 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.304 7.663 6.535 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.213 9.048 6.361 1.00 0.00 C ATOM 1163 OH TYR A 74 87.157 9.745 6.911 1.00 0.00 O ATOM 0 H TYR A 74 93.733 6.625 3.505 1.00 0.00 H new ATOM 0 HA TYR A 74 92.725 8.408 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.539 7.013 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.399 5.804 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.021 9.546 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.446 5.886 6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.122 10.795 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.547 7.139 7.099 1.00 0.00 H new ATOM 0 HH TYR A 74 87.068 10.611 6.462 1.00 0.00 H new ATOM 1173 N ILE A 75 93.418 5.253 6.308 1.00 0.00 N ATOM 1174 CA ILE A 75 93.757 4.366 7.418 1.00 0.00 C ATOM 1175 C ILE A 75 95.049 3.612 7.112 1.00 0.00 C ATOM 1176 O ILE A 75 95.026 2.419 6.812 1.00 0.00 O ATOM 1177 CB ILE A 75 92.620 3.368 7.658 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.312 4.133 7.895 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.939 2.516 8.890 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.122 3.189 7.703 1.00 0.00 C ATOM 0 H ILE A 75 93.392 4.798 5.395 1.00 0.00 H new ATOM 0 HA ILE A 75 93.900 4.967 8.316 1.00 0.00 H new ATOM 0 HB ILE A 75 92.514 2.722 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.300 4.549 8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.239 4.972 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.130 1.806 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.870 1.973 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 75 93.045 3.162 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.194 3.735 7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.131 2.794 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.193 2.365 8.413 1.00 0.00 H new ATOM 1192 N PRO A 76 96.168 4.289 7.176 1.00 0.00 N ATOM 1193 CA PRO A 76 97.500 3.678 6.895 1.00 0.00 C ATOM 1194 C PRO A 76 97.655 2.304 7.537 1.00 0.00 C ATOM 1195 O PRO A 76 97.425 2.139 8.735 1.00 0.00 O ATOM 1196 CB PRO A 76 98.482 4.683 7.497 1.00 0.00 C ATOM 1197 CG PRO A 76 97.788 6.003 7.401 1.00 0.00 C ATOM 1198 CD PRO A 76 96.288 5.715 7.526 1.00 0.00 C ATOM 0 HA PRO A 76 97.658 3.502 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.717 4.434 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.424 4.691 6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.121 6.675 8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.012 6.491 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.927 5.910 8.536 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.704 6.342 6.852 1.00 0.00 H new ATOM 1206 N GLY A 77 98.045 1.320 6.731 1.00 0.00 N ATOM 1207 CA GLY A 77 98.228 -0.043 7.221 1.00 0.00 C ATOM 1208 C GLY A 77 97.268 -1.000 6.525 1.00 0.00 C ATOM 1209 O GLY A 77 97.600 -2.161 6.286 1.00 0.00 O ATOM 0 H GLY A 77 98.240 1.441 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.256 -0.362 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.062 -0.073 8.298 1.00 0.00 H new ATOM 1213 N THR A 78 96.079 -0.504 6.195 1.00 0.00 N ATOM 1214 CA THR A 78 95.081 -1.326 5.518 1.00 0.00 C ATOM 1215 C THR A 78 95.662 -1.912 4.236 1.00 0.00 C ATOM 1216 O THR A 78 96.382 -1.232 3.506 1.00 0.00 O ATOM 1217 CB THR A 78 93.848 -0.486 5.189 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.823 -1.331 4.684 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.211 0.561 4.141 1.00 0.00 C ATOM 0 H THR A 78 95.785 0.454 6.383 1.00 0.00 H new ATOM 0 HA THR A 78 94.792 -2.142 6.181 1.00 0.00 H new ATOM 0 HB THR A 78 93.495 0.013 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.030 -0.794 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.332 1.161 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.998 1.208 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.564 0.064 3.237 1.00 0.00 H new ATOM 1227 N LYS A 79 95.354 -3.178 3.969 1.00 0.00 N ATOM 1228 CA LYS A 79 95.869 -3.834 2.767 1.00 0.00 C ATOM 1229 C LYS A 79 94.985 -3.540 1.555 1.00 0.00 C ATOM 1230 O LYS A 79 94.036 -4.269 1.279 1.00 0.00 O ATOM 1231 CB LYS A 79 95.945 -5.351 2.979 1.00 0.00 C ATOM 1232 CG LYS A 79 97.022 -5.689 4.024 1.00 0.00 C ATOM 1233 CD LYS A 79 97.749 -6.979 3.628 1.00 0.00 C ATOM 1234 CE LYS A 79 96.769 -8.155 3.657 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.451 -9.381 3.155 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.761 -3.764 4.557 1.00 0.00 H new ATOM 0 HA LYS A 79 96.867 -3.439 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.977 -5.728 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 79 96.175 -5.846 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.736 -4.869 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.564 -5.807 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.177 -6.875 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.576 -7.166 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 79 96.408 -8.317 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 79 95.898 -7.932 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 96.786 -10.181 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.775 -9.223 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.269 -9.596 3.761 1.00 0.00 H new ATOM 1249 N MET A 80 95.318 -2.481 0.823 1.00 0.00 N ATOM 1250 CA MET A 80 94.556 -2.118 -0.370 1.00 0.00 C ATOM 1251 C MET A 80 95.288 -1.042 -1.168 1.00 0.00 C ATOM 1252 O MET A 80 95.164 0.149 -0.885 1.00 0.00 O ATOM 1253 CB MET A 80 93.162 -1.610 0.013 1.00 0.00 C ATOM 1254 CG MET A 80 92.426 -1.145 -1.249 1.00 0.00 C ATOM 1255 SD MET A 80 90.646 -1.051 -0.924 1.00 0.00 S ATOM 1256 CE MET A 80 90.253 0.222 -2.149 1.00 0.00 C ATOM 0 H MET A 80 96.103 -1.863 1.031 1.00 0.00 H new ATOM 0 HA MET A 80 94.453 -3.011 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.597 -2.401 0.506 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.245 -0.787 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.800 -0.170 -1.560 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.619 -1.837 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.300 -0.012 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.184 1.192 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 80 91.037 0.254 -2.905 1.00 0.00 H new ATOM 1266 N ILE A 81 96.046 -1.476 -2.173 1.00 0.00 N ATOM 1267 CA ILE A 81 96.797 -0.552 -3.022 1.00 0.00 C ATOM 1268 C ILE A 81 96.447 -0.785 -4.490 1.00 0.00 C ATOM 1269 O ILE A 81 96.834 -1.795 -5.077 1.00 0.00 O ATOM 1270 CB ILE A 81 98.303 -0.755 -2.818 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.707 -0.275 -1.417 1.00 0.00 C ATOM 1272 CG2 ILE A 81 99.075 0.050 -3.866 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.238 -1.274 -0.351 1.00 0.00 C ATOM 0 H ILE A 81 96.157 -2.460 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 81 96.530 0.468 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 81 98.537 -1.815 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.790 -0.159 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.271 0.705 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 81 100.145 -0.095 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.796 -0.289 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.835 1.108 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.533 -0.918 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.153 -1.369 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.695 -2.246 -0.537 1.00 0.00 H new ATOM 1285 N PHE A 82 95.713 0.158 -5.078 1.00 0.00 N ATOM 1286 CA PHE A 82 95.320 0.043 -6.480 1.00 0.00 C ATOM 1287 C PHE A 82 95.225 1.423 -7.126 1.00 0.00 C ATOM 1288 O PHE A 82 96.163 1.875 -7.784 1.00 0.00 O ATOM 1289 CB PHE A 82 93.970 -0.674 -6.588 1.00 0.00 C ATOM 1290 CG PHE A 82 93.487 -0.628 -8.019 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.087 -1.447 -8.985 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.442 0.231 -8.382 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.641 -1.405 -10.312 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.997 0.273 -9.707 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.597 -0.545 -10.673 1.00 0.00 C ATOM 0 H PHE A 82 95.381 1.002 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 82 96.079 -0.537 -7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 82 94.069 -1.709 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.241 -0.199 -5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.893 -2.110 -8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.979 0.862 -7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.103 -2.036 -11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.191 0.936 -9.985 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.254 -0.512 -11.697 1.00 0.00 H new ATOM 1305 N ALA A 83 94.090 2.088 -6.936 1.00 0.00 N ATOM 1306 CA ALA A 83 93.890 3.414 -7.509 1.00 0.00 C ATOM 1307 C ALA A 83 92.701 4.110 -6.856 1.00 0.00 C ATOM 1308 O ALA A 83 91.593 3.573 -6.829 1.00 0.00 O ATOM 1309 CB ALA A 83 93.647 3.300 -9.016 1.00 0.00 C ATOM 0 H ALA A 83 93.301 1.734 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 83 94.788 4.005 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.498 4.294 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.510 2.831 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.760 2.693 -9.197 1.00 0.00 H new ATOM 1315 N GLY A 84 92.937 5.309 -6.334 1.00 0.00 N ATOM 1316 CA GLY A 84 91.877 6.073 -5.687 1.00 0.00 C ATOM 1317 C GLY A 84 90.990 6.749 -6.726 1.00 0.00 C ATOM 1318 O GLY A 84 91.291 6.727 -7.920 1.00 0.00 O ATOM 0 H GLY A 84 93.847 5.770 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.276 5.413 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.313 6.825 -5.029 1.00 0.00 H new ATOM 1322 N ILE A 85 89.898 7.353 -6.267 1.00 0.00 N ATOM 1323 CA ILE A 85 88.979 8.034 -7.173 1.00 0.00 C ATOM 1324 C ILE A 85 89.478 9.448 -7.467 1.00 0.00 C ATOM 1325 O ILE A 85 90.284 9.998 -6.716 1.00 0.00 O ATOM 1326 CB ILE A 85 87.583 8.091 -6.549 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.002 6.669 -6.450 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.665 8.966 -7.407 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.304 6.279 -7.758 1.00 0.00 C ATOM 0 H ILE A 85 89.630 7.385 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 85 88.930 7.479 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 85 87.654 8.522 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.800 5.959 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.293 6.617 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.673 9.002 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.074 9.975 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.594 8.545 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.900 5.271 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.493 6.978 -7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.022 6.310 -8.577 1.00 0.00 H new ATOM 1341 N LYS A 86 89.010 10.025 -8.571 1.00 0.00 N ATOM 1342 CA LYS A 86 89.434 11.368 -8.962 1.00 0.00 C ATOM 1343 C LYS A 86 88.367 12.413 -8.637 1.00 0.00 C ATOM 1344 O LYS A 86 88.600 13.317 -7.835 1.00 0.00 O ATOM 1345 CB LYS A 86 89.729 11.395 -10.464 1.00 0.00 C ATOM 1346 CG LYS A 86 90.563 12.633 -10.802 1.00 0.00 C ATOM 1347 CD LYS A 86 90.596 12.827 -12.320 1.00 0.00 C ATOM 1348 CE LYS A 86 91.723 13.793 -12.689 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.038 13.113 -12.516 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.342 9.588 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 86 90.333 11.614 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.266 10.492 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.796 11.408 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.137 13.514 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.576 12.518 -10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.748 11.868 -12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 86 89.640 13.218 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.607 14.127 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.675 14.681 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.753 13.584 -13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.326 13.163 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.954 12.117 -12.802 1.00 0.00 H new ATOM 1363 N LYS A 87 87.207 12.298 -9.279 1.00 0.00 N ATOM 1364 CA LYS A 87 86.126 13.258 -9.061 1.00 0.00 C ATOM 1365 C LYS A 87 85.259 12.863 -7.869 1.00 0.00 C ATOM 1366 O LYS A 87 85.283 11.719 -7.416 1.00 0.00 O ATOM 1367 CB LYS A 87 85.255 13.350 -10.316 1.00 0.00 C ATOM 1368 CG LYS A 87 86.151 13.389 -11.558 1.00 0.00 C ATOM 1369 CD LYS A 87 85.288 13.562 -12.821 1.00 0.00 C ATOM 1370 CE LYS A 87 85.626 14.890 -13.504 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.261 16.019 -12.602 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.992 11.558 -9.948 1.00 0.00 H new ATOM 0 HA LYS A 87 86.577 14.227 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.581 12.495 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.633 14.244 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.863 14.211 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.732 12.469 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.463 12.734 -13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.231 13.538 -12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.689 14.929 -13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.086 14.974 -14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.148 16.888 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.367 15.801 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 86.013 16.157 -11.897 1.00 0.00 H new ATOM 1385 N LYS A 88 84.487 13.823 -7.369 1.00 0.00 N ATOM 1386 CA LYS A 88 83.606 13.571 -6.236 1.00 0.00 C ATOM 1387 C LYS A 88 82.444 12.683 -6.662 1.00 0.00 C ATOM 1388 O LYS A 88 82.196 11.640 -6.060 1.00 0.00 O ATOM 1389 CB LYS A 88 83.069 14.895 -5.685 1.00 0.00 C ATOM 1390 CG LYS A 88 82.046 14.621 -4.574 1.00 0.00 C ATOM 1391 CD LYS A 88 81.600 15.950 -3.943 1.00 0.00 C ATOM 1392 CE LYS A 88 80.121 15.868 -3.554 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.763 17.043 -2.710 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.454 14.777 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 88 84.175 13.063 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.890 15.497 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.604 15.471 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.184 14.093 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.485 13.975 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.206 16.167 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.756 16.768 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.499 15.847 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.928 14.944 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.759 16.987 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.348 17.044 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.932 17.919 -3.245 1.00 0.00 H new ATOM 1407 N THR A 89 81.734 13.102 -7.706 1.00 0.00 N ATOM 1408 CA THR A 89 80.601 12.328 -8.197 1.00 0.00 C ATOM 1409 C THR A 89 81.008 10.882 -8.430 1.00 0.00 C ATOM 1410 O THR A 89 80.178 9.978 -8.373 1.00 0.00 O ATOM 1411 CB THR A 89 80.071 12.922 -9.499 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.137 13.049 -10.431 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.462 14.298 -9.225 1.00 0.00 C ATOM 0 H THR A 89 81.921 13.962 -8.222 1.00 0.00 H new ATOM 0 HA THR A 89 79.815 12.363 -7.443 1.00 0.00 H new ATOM 0 HB THR A 89 79.305 12.265 -9.912 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.796 13.429 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.084 14.721 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.643 14.198 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.225 14.957 -8.810 1.00 0.00 H new ATOM 1421 N GLU A 90 82.295 10.663 -8.676 1.00 0.00 N ATOM 1422 CA GLU A 90 82.787 9.312 -8.893 1.00 0.00 C ATOM 1423 C GLU A 90 82.706 8.542 -7.584 1.00 0.00 C ATOM 1424 O GLU A 90 82.365 7.361 -7.563 1.00 0.00 O ATOM 1425 CB GLU A 90 84.234 9.341 -9.394 1.00 0.00 C ATOM 1426 CG GLU A 90 84.260 9.690 -10.883 1.00 0.00 C ATOM 1427 CD GLU A 90 85.669 10.099 -11.298 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.548 10.060 -10.454 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.848 10.444 -12.454 1.00 0.00 O ATOM 0 H GLU A 90 83.005 11.393 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 90 82.174 8.822 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.809 10.074 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.705 8.372 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.933 8.833 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.562 10.502 -11.087 1.00 0.00 H new ATOM 1436 N ARG A 91 83.003 9.235 -6.489 1.00 0.00 N ATOM 1437 CA ARG A 91 82.942 8.624 -5.169 1.00 0.00 C ATOM 1438 C ARG A 91 81.491 8.485 -4.730 1.00 0.00 C ATOM 1439 O ARG A 91 81.061 7.413 -4.312 1.00 0.00 O ATOM 1440 CB ARG A 91 83.694 9.482 -4.150 1.00 0.00 C ATOM 1441 CG ARG A 91 85.145 9.663 -4.598 1.00 0.00 C ATOM 1442 CD ARG A 91 85.953 10.358 -3.494 1.00 0.00 C ATOM 1443 NE ARG A 91 86.382 11.678 -3.945 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.872 12.572 -3.092 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.982 12.276 -1.825 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.244 13.747 -3.521 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.287 10.215 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 91 83.407 7.639 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.210 10.454 -4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.663 9.009 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.587 8.693 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.181 10.254 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.347 10.452 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.822 9.754 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 91 86.304 11.919 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.692 11.358 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.358 12.963 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.159 13.979 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.620 14.433 -2.867 1.00 0.00 H new ATOM 1460 N GLU A 92 80.742 9.578 -4.830 1.00 0.00 N ATOM 1461 CA GLU A 92 79.337 9.563 -4.440 1.00 0.00 C ATOM 1462 C GLU A 92 78.583 8.503 -5.235 1.00 0.00 C ATOM 1463 O GLU A 92 77.922 7.639 -4.661 1.00 0.00 O ATOM 1464 CB GLU A 92 78.709 10.936 -4.686 1.00 0.00 C ATOM 1465 CG GLU A 92 77.356 11.014 -3.975 1.00 0.00 C ATOM 1466 CD GLU A 92 77.566 11.155 -2.471 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.675 10.136 -1.809 1.00 0.00 O ATOM 1468 OE2 GLU A 92 77.613 12.281 -2.002 1.00 0.00 O1- ATOM 0 H GLU A 92 81.080 10.477 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 92 79.272 9.325 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.370 11.721 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.580 11.102 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.786 11.863 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 92 76.772 10.118 -4.187 1.00 0.00 H new ATOM 1475 N ASP A 93 78.696 8.568 -6.559 1.00 0.00 N ATOM 1476 CA ASP A 93 78.028 7.597 -7.416 1.00 0.00 C ATOM 1477 C ASP A 93 78.496 6.187 -7.071 1.00 0.00 C ATOM 1478 O ASP A 93 77.685 5.275 -6.907 1.00 0.00 O ATOM 1479 CB ASP A 93 78.330 7.897 -8.885 1.00 0.00 C ATOM 1480 CG ASP A 93 77.811 9.284 -9.249 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.870 9.729 -8.613 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.363 9.881 -10.159 1.00 0.00 O1- ATOM 0 H ASP A 93 79.238 9.275 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 93 76.953 7.666 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.404 7.843 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.863 7.146 -9.522 1.00 0.00 H new ATOM 1487 N LEU A 94 79.810 6.019 -6.952 1.00 0.00 N ATOM 1488 CA LEU A 94 80.379 4.719 -6.614 1.00 0.00 C ATOM 1489 C LEU A 94 79.845 4.251 -5.271 1.00 0.00 C ATOM 1490 O LEU A 94 79.624 3.059 -5.057 1.00 0.00 O ATOM 1491 CB LEU A 94 81.905 4.818 -6.532 1.00 0.00 C ATOM 1492 CG LEU A 94 82.493 3.489 -6.051 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.038 2.365 -6.980 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.022 3.573 -6.058 1.00 0.00 C ATOM 0 H LEU A 94 80.497 6.762 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 94 80.099 4.007 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.314 5.073 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.189 5.619 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 94 82.147 3.284 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.456 1.418 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.950 2.305 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.383 2.569 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.440 2.626 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.370 3.778 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.345 4.374 -5.393 1.00 0.00 H new ATOM 1506 N ILE A 95 79.657 5.199 -4.365 1.00 0.00 N ATOM 1507 CA ILE A 95 79.169 4.879 -3.038 1.00 0.00 C ATOM 1508 C ILE A 95 77.673 4.605 -3.074 1.00 0.00 C ATOM 1509 O ILE A 95 77.152 3.838 -2.263 1.00 0.00 O ATOM 1510 CB ILE A 95 79.495 6.023 -2.071 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.982 5.929 -1.695 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.626 5.911 -0.810 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.547 7.317 -1.386 1.00 0.00 C ATOM 0 H ILE A 95 79.835 6.190 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 95 79.667 3.976 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 95 79.289 6.983 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.103 5.280 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.542 5.476 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.865 6.728 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.573 5.966 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.822 4.959 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.601 7.230 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.444 7.955 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.999 7.756 -0.552 1.00 0.00 H new ATOM 1525 N ALA A 96 76.989 5.215 -4.032 1.00 0.00 N ATOM 1526 CA ALA A 96 75.559 5.004 -4.172 1.00 0.00 C ATOM 1527 C ALA A 96 75.298 3.549 -4.541 1.00 0.00 C ATOM 1528 O ALA A 96 74.316 2.949 -4.102 1.00 0.00 O ATOM 1529 CB ALA A 96 74.998 5.928 -5.252 1.00 0.00 C ATOM 0 H ALA A 96 77.397 5.853 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 96 75.065 5.231 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.925 5.763 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.182 6.966 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.487 5.715 -6.203 1.00 0.00 H new ATOM 1535 N TYR A 97 76.202 2.983 -5.337 1.00 0.00 N ATOM 1536 CA TYR A 97 76.076 1.590 -5.744 1.00 0.00 C ATOM 1537 C TYR A 97 76.504 0.675 -4.603 1.00 0.00 C ATOM 1538 O TYR A 97 75.844 -0.318 -4.315 1.00 0.00 O ATOM 1539 CB TYR A 97 76.937 1.312 -6.980 1.00 0.00 C ATOM 1540 CG TYR A 97 77.021 -0.183 -7.204 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.967 -0.857 -7.831 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.148 -0.893 -6.776 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.040 -2.241 -8.029 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.222 -2.276 -6.974 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.168 -2.950 -7.601 1.00 0.00 C ATOM 1546 OH TYR A 97 77.239 -4.314 -7.796 1.00 0.00 O ATOM 0 H TYR A 97 77.021 3.464 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 97 75.033 1.394 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.506 1.799 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.935 1.728 -6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.097 -0.309 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.962 -0.373 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.226 -2.761 -8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.092 -2.823 -6.643 1.00 0.00 H new ATOM 0 HH TYR A 97 78.166 -4.570 -7.984 1.00 0.00 H new ATOM 1556 N LEU A 98 77.614 1.021 -3.954 1.00 0.00 N ATOM 1557 CA LEU A 98 78.111 0.221 -2.842 1.00 0.00 C ATOM 1558 C LEU A 98 77.035 0.104 -1.763 1.00 0.00 C ATOM 1559 O LEU A 98 77.047 -0.825 -0.958 1.00 0.00 O ATOM 1560 CB LEU A 98 79.372 0.865 -2.250 1.00 0.00 C ATOM 1561 CG LEU A 98 80.587 0.558 -3.142 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.696 1.586 -2.892 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.126 -0.844 -2.827 1.00 0.00 C ATOM 0 H LEU A 98 78.179 1.840 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 98 78.360 -0.775 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.235 1.943 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.545 0.487 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 98 80.274 0.606 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.552 1.360 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.325 2.585 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.001 1.546 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.986 -1.054 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.428 -0.891 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.347 -1.584 -3.014 1.00 0.00 H new ATOM 1575 N LYS A 99 76.104 1.056 -1.755 1.00 0.00 N ATOM 1576 CA LYS A 99 75.023 1.050 -0.771 1.00 0.00 C ATOM 1577 C LYS A 99 73.923 0.077 -1.185 1.00 0.00 C ATOM 1578 O LYS A 99 73.502 -0.768 -0.395 1.00 0.00 O ATOM 1579 CB LYS A 99 74.434 2.461 -0.627 1.00 0.00 C ATOM 1580 CG LYS A 99 75.269 3.277 0.367 1.00 0.00 C ATOM 1581 CD LYS A 99 74.518 4.559 0.738 1.00 0.00 C ATOM 1582 CE LYS A 99 74.463 5.495 -0.471 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.089 6.865 -0.020 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.076 1.835 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 99 75.434 0.729 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.419 2.959 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.401 2.400 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.466 2.687 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.236 3.524 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.508 4.317 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.016 5.055 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.431 5.517 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.737 5.128 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.820 7.440 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.286 6.807 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.899 7.306 0.461 1.00 0.00 H new ATOM 1597 N LYS A 100 73.459 0.202 -2.423 1.00 0.00 N ATOM 1598 CA LYS A 100 72.406 -0.675 -2.923 1.00 0.00 C ATOM 1599 C LYS A 100 72.974 -2.045 -3.278 1.00 0.00 C ATOM 1600 O LYS A 100 72.233 -3.013 -3.446 1.00 0.00 O ATOM 1601 CB LYS A 100 71.749 -0.053 -4.159 1.00 0.00 C ATOM 1602 CG LYS A 100 70.386 -0.707 -4.401 1.00 0.00 C ATOM 1603 CD LYS A 100 69.810 -0.217 -5.732 1.00 0.00 C ATOM 1604 CE LYS A 100 69.541 1.290 -5.656 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.528 1.663 -6.683 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.791 0.895 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 100 71.658 -0.797 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.628 1.021 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.389 -0.189 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.489 -1.792 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.704 -0.463 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.508 -0.431 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 100 68.886 -0.750 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.183 1.557 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.465 1.845 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.344 2.685 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.887 1.421 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.645 1.143 -6.505 1.00 0.00 H new ATOM 1619 N ALA A 101 74.295 -2.116 -3.390 1.00 0.00 N ATOM 1620 CA ALA A 101 74.963 -3.368 -3.723 1.00 0.00 C ATOM 1621 C ALA A 101 75.235 -4.179 -2.463 1.00 0.00 C ATOM 1622 O ALA A 101 75.223 -5.410 -2.488 1.00 0.00 O ATOM 1623 CB ALA A 101 76.284 -3.080 -4.438 1.00 0.00 C ATOM 0 H ALA A 101 74.923 -1.324 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 101 74.311 -3.943 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.777 -4.020 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.088 -2.523 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.930 -2.491 -3.786 1.00 0.00 H new ATOM 1629 N THR A 102 75.482 -3.479 -1.360 1.00 0.00 N ATOM 1630 CA THR A 102 75.762 -4.141 -0.090 1.00 0.00 C ATOM 1631 C THR A 102 74.471 -4.365 0.682 1.00 0.00 C ATOM 1632 O THR A 102 74.469 -4.979 1.750 1.00 0.00 O ATOM 1633 CB THR A 102 76.718 -3.285 0.739 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.177 -1.980 0.888 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.066 -3.206 0.027 1.00 0.00 C ATOM 0 H THR A 102 75.494 -2.460 -1.319 1.00 0.00 H new ATOM 0 HA THR A 102 76.225 -5.107 -0.291 1.00 0.00 H new ATOM 0 HB THR A 102 76.853 -3.732 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.652 -1.359 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.752 -2.596 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.477 -4.209 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.932 -2.756 -0.957 1.00 0.00 H new ATOM 1643 N ASN A 103 73.376 -3.861 0.130 1.00 0.00 N ATOM 1644 CA ASN A 103 72.071 -4.002 0.759 1.00 0.00 C ATOM 1645 C ASN A 103 71.349 -5.224 0.200 1.00 0.00 C ATOM 1646 O ASN A 103 70.484 -5.803 0.858 1.00 0.00 O ATOM 1647 CB ASN A 103 71.239 -2.745 0.498 1.00 0.00 C ATOM 1648 CG ASN A 103 71.633 -1.645 1.475 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.821 -0.778 1.795 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.838 -1.627 1.967 1.00 0.00 N ATOM 0 H ASN A 103 73.366 -3.350 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 103 72.205 -4.132 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.392 -2.404 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.178 -2.973 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.111 -0.893 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.509 -2.347 1.700 1.00 0.00 H new ATOM 1657 N GLU A 104 71.715 -5.610 -1.018 1.00 0.00 N ATOM 1658 CA GLU A 104 71.102 -6.766 -1.663 1.00 0.00 C ATOM 1659 C GLU A 104 72.038 -7.349 -2.717 1.00 0.00 C ATOM 1660 O GLU A 104 73.226 -7.079 -2.640 1.00 0.00 O ATOM 1661 CB GLU A 104 69.780 -6.361 -2.319 1.00 0.00 C ATOM 1662 CG GLU A 104 70.030 -5.222 -3.309 1.00 0.00 C ATOM 1663 CD GLU A 104 68.715 -4.793 -3.952 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.817 -4.412 -3.219 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.626 -4.852 -5.167 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 71.554 -8.056 -3.585 1.00 0.00 O ATOM 0 H GLU A 104 72.429 -5.142 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 104 70.911 -7.523 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.341 -7.215 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.066 -6.046 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.486 -4.376 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.732 -5.545 -4.078 1.00 0.00 H new