USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 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 -73:sc= 0.748 USER MOD Set 1.2: A 103 ASN : amide:sc= -2.99 K(o=-2.2,f=-0.11) USER MOD Set 2.1: A 31 ASN : amide:sc= -4.29! C(o=-14!,f=-26!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -9.74! C(o=-14!,f=-21!) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 0.00608 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.01! C(o=-2!,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.438) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0604 USER MOD Single : A 16 GLN : amide:sc= -0.142 X(o=-0.14,f=0.32) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.181 USER MOD Single : A 18 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0233 (180deg=-0.341) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.445) USER MOD Single : A 26 HIS : no HE2:sc= 0.149 K(o=0.15,f=-5!) 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 150:sc= -1.06 USER MOD Single : A 42 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.12) USER MOD Single : A 47 THR OG1 : rot 31:sc= 0.354 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.504 USER MOD Single : A 52 ASN : amide:sc= -0.289 K(o=-0.29,f=-5.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -9.5! C(o=-9.5!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 60 LYS NZ :NH3+ -110:sc= -0.977 (180deg=-2.68!) USER MOD Single : A 63 THR OG1 : rot 79:sc= -2.25! USER MOD Single : A 65 MET CE :methyl 178:sc= 0 (180deg=-0.00149) USER MOD Single : A 67 TYR OH : rot -132:sc= 1.38 USER MOD Single : A 70 ASN : amide:sc= -7.53! K(o=-7.5!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -1.5! (180deg=-2.29!) USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -0.266 (180deg=-1.28!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 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 146:sc= -0.0103 (180deg=-0.0338) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0135) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0634 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 0.146 (180deg=0.0348) USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= -0.0797 (180deg=-0.681) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.630 8.456 -8.626 1.00 0.00 N ATOM 11 CA ASP A 2 74.085 7.702 -9.752 1.00 0.00 C ATOM 12 C ASP A 2 74.443 6.227 -9.634 1.00 0.00 C ATOM 13 O ASP A 2 75.461 5.782 -10.159 1.00 0.00 O ATOM 14 CB ASP A 2 74.638 8.255 -11.066 1.00 0.00 C ATOM 15 CG ASP A 2 74.214 9.709 -11.243 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.192 10.423 -10.255 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.917 10.087 -12.364 1.00 0.00 O1- ATOM 0 HA ASP A 2 73.000 7.804 -9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.726 8.182 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.275 7.658 -11.902 1.00 0.00 H new ATOM 22 N VAL A 3 73.593 5.472 -8.947 1.00 0.00 N ATOM 23 CA VAL A 3 73.823 4.046 -8.773 1.00 0.00 C ATOM 24 C VAL A 3 74.132 3.391 -10.115 1.00 0.00 C ATOM 25 O VAL A 3 74.660 2.280 -10.168 1.00 0.00 O ATOM 26 CB VAL A 3 72.585 3.391 -8.153 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.344 3.784 -8.956 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.744 1.869 -8.174 1.00 0.00 C ATOM 0 H VAL A 3 72.744 5.823 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 3 74.676 3.909 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 3 72.475 3.729 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.463 3.318 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.228 4.868 -8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.456 3.447 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.862 1.405 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.856 1.529 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.627 1.588 -7.601 1.00 0.00 H new ATOM 38 N GLU A 4 73.797 4.085 -11.201 1.00 0.00 N ATOM 39 CA GLU A 4 74.044 3.552 -12.536 1.00 0.00 C ATOM 40 C GLU A 4 75.532 3.604 -12.866 1.00 0.00 C ATOM 41 O GLU A 4 76.157 2.574 -13.132 1.00 0.00 O ATOM 42 CB GLU A 4 73.259 4.355 -13.574 1.00 0.00 C ATOM 43 CG GLU A 4 71.819 4.541 -13.091 1.00 0.00 C ATOM 44 CD GLU A 4 70.946 5.047 -14.235 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.369 5.968 -14.913 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 69.868 4.506 -14.416 1.00 0.00 O ATOM 0 H GLU A 4 73.359 5.006 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 4 73.715 2.513 -12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.730 5.326 -13.731 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.268 3.837 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.428 3.596 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.793 5.249 -12.262 1.00 0.00 H new ATOM 53 N LYS A 5 76.100 4.804 -12.835 1.00 0.00 N ATOM 54 CA LYS A 5 77.518 4.963 -13.123 1.00 0.00 C ATOM 55 C LYS A 5 78.339 4.475 -11.940 1.00 0.00 C ATOM 56 O LYS A 5 79.531 4.196 -12.070 1.00 0.00 O ATOM 57 CB LYS A 5 77.839 6.431 -13.413 1.00 0.00 C ATOM 58 CG LYS A 5 77.353 6.793 -14.819 1.00 0.00 C ATOM 59 CD LYS A 5 77.364 8.318 -14.998 1.00 0.00 C ATOM 60 CE LYS A 5 76.037 8.907 -14.512 1.00 0.00 C ATOM 61 NZ LYS A 5 76.043 10.382 -14.723 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.607 5.670 -12.616 1.00 0.00 H new ATOM 0 HA LYS A 5 77.769 4.371 -14.003 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.358 7.072 -12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.912 6.602 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.994 6.326 -15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.346 6.407 -14.976 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.192 8.753 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.521 8.569 -16.047 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.206 8.455 -15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.891 8.680 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.389 10.831 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.003 10.751 -14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.741 10.595 -15.695 1.00 0.00 H new ATOM 75 N GLY A 6 77.685 4.352 -10.792 1.00 0.00 N ATOM 76 CA GLY A 6 78.359 3.870 -9.598 1.00 0.00 C ATOM 77 C GLY A 6 78.651 2.387 -9.754 1.00 0.00 C ATOM 78 O GLY A 6 79.701 1.895 -9.341 1.00 0.00 O ATOM 0 H GLY A 6 76.698 4.577 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.286 4.421 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.736 4.040 -8.720 1.00 0.00 H new ATOM 82 N LYS A 7 77.712 1.687 -10.381 1.00 0.00 N ATOM 83 CA LYS A 7 77.868 0.263 -10.622 1.00 0.00 C ATOM 84 C LYS A 7 78.965 0.036 -11.653 1.00 0.00 C ATOM 85 O LYS A 7 79.793 -0.861 -11.505 1.00 0.00 O ATOM 86 CB LYS A 7 76.554 -0.332 -11.130 1.00 0.00 C ATOM 87 CG LYS A 7 76.694 -1.852 -11.254 1.00 0.00 C ATOM 88 CD LYS A 7 75.396 -2.448 -11.817 1.00 0.00 C ATOM 89 CE LYS A 7 75.454 -2.462 -13.346 1.00 0.00 C ATOM 90 NZ LYS A 7 74.132 -2.883 -13.888 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.839 2.083 -10.729 1.00 0.00 H new ATOM 0 HA LYS A 7 78.141 -0.227 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.743 -0.086 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.297 0.100 -12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.531 -2.097 -11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.912 -2.287 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.256 -3.461 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.540 -1.862 -11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.714 -1.472 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.233 -3.145 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.170 -2.893 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 73.902 -3.836 -13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.400 -2.214 -13.575 1.00 0.00 H new ATOM 104 N LYS A 8 78.967 0.861 -12.698 1.00 0.00 N ATOM 105 CA LYS A 8 79.973 0.742 -13.745 1.00 0.00 C ATOM 106 C LYS A 8 81.376 0.866 -13.153 1.00 0.00 C ATOM 107 O LYS A 8 82.259 0.046 -13.422 1.00 0.00 O ATOM 108 CB LYS A 8 79.761 1.834 -14.799 1.00 0.00 C ATOM 109 CG LYS A 8 80.900 1.796 -15.832 1.00 0.00 C ATOM 110 CD LYS A 8 81.894 2.934 -15.560 1.00 0.00 C ATOM 111 CE LYS A 8 81.260 4.287 -15.914 1.00 0.00 C ATOM 112 NZ LYS A 8 82.319 5.216 -16.399 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.290 1.611 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 8 79.873 -0.237 -14.213 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.802 1.689 -15.297 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.726 2.812 -14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.413 0.835 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.492 1.891 -16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.189 2.926 -14.511 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.800 2.784 -16.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.497 4.154 -16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.763 4.708 -15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.892 6.133 -16.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.031 5.350 -15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 82.774 4.814 -17.243 1.00 0.00 H new ATOM 126 N ILE A 9 81.574 1.899 -12.344 1.00 0.00 N ATOM 127 CA ILE A 9 82.868 2.126 -11.719 1.00 0.00 C ATOM 128 C ILE A 9 83.210 0.996 -10.756 1.00 0.00 C ATOM 129 O ILE A 9 84.378 0.740 -10.484 1.00 0.00 O ATOM 130 CB ILE A 9 82.855 3.453 -10.955 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.588 4.604 -11.930 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.211 3.665 -10.276 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.151 5.845 -11.147 1.00 0.00 C ATOM 0 H ILE A 9 80.860 2.588 -12.107 1.00 0.00 H new ATOM 0 HA ILE A 9 83.623 2.161 -12.505 1.00 0.00 H new ATOM 0 HB ILE A 9 82.069 3.428 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.487 4.822 -12.506 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.814 4.319 -12.642 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.202 4.610 -9.732 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.401 2.848 -9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.996 3.689 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.961 6.664 -11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.241 5.622 -10.590 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.940 6.133 -10.452 1.00 0.00 H new ATOM 145 N PHE A 10 82.189 0.333 -10.230 1.00 0.00 N ATOM 146 CA PHE A 10 82.410 -0.753 -9.278 1.00 0.00 C ATOM 147 C PHE A 10 82.854 -2.039 -9.977 1.00 0.00 C ATOM 148 O PHE A 10 83.859 -2.641 -9.598 1.00 0.00 O ATOM 149 CB PHE A 10 81.121 -1.020 -8.486 1.00 0.00 C ATOM 150 CG PHE A 10 81.120 -2.448 -7.990 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.610 -3.468 -8.801 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.643 -2.753 -6.730 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.624 -4.793 -8.354 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.654 -4.079 -6.279 1.00 0.00 C ATOM 155 CZ PHE A 10 81.146 -5.100 -7.093 1.00 0.00 C ATOM 0 H PHE A 10 81.209 0.523 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 10 83.208 -0.444 -8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.050 -0.331 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.250 -0.843 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.205 -3.232 -9.774 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.038 -1.966 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.232 -5.579 -8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.054 -4.314 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.157 -6.123 -6.747 1.00 0.00 H new ATOM 165 N VAL A 11 82.092 -2.462 -10.981 1.00 0.00 N ATOM 166 CA VAL A 11 82.407 -3.692 -11.704 1.00 0.00 C ATOM 167 C VAL A 11 83.822 -3.660 -12.250 1.00 0.00 C ATOM 168 O VAL A 11 84.453 -4.702 -12.429 1.00 0.00 O ATOM 169 CB VAL A 11 81.431 -3.892 -12.863 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.019 -4.085 -12.317 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.456 -2.663 -13.770 1.00 0.00 C ATOM 0 H VAL A 11 81.258 -1.976 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 11 82.318 -4.519 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 11 81.726 -4.774 -13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.325 -4.227 -13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 11 79.996 -4.962 -11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.726 -3.204 -11.746 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.760 -2.806 -14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.164 -1.783 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.462 -2.522 -14.164 1.00 0.00 H new ATOM 181 N GLN A 12 84.309 -2.466 -12.544 1.00 0.00 N ATOM 182 CA GLN A 12 85.649 -2.329 -13.104 1.00 0.00 C ATOM 183 C GLN A 12 86.701 -2.013 -12.039 1.00 0.00 C ATOM 184 O GLN A 12 87.882 -2.299 -12.235 1.00 0.00 O ATOM 185 CB GLN A 12 85.654 -1.233 -14.168 1.00 0.00 C ATOM 186 CG GLN A 12 85.433 0.131 -13.514 1.00 0.00 C ATOM 187 CD GLN A 12 85.280 1.191 -14.596 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.054 2.363 -14.295 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.396 0.845 -15.849 1.00 0.00 N ATOM 0 H GLN A 12 83.808 -1.588 -12.408 1.00 0.00 H new ATOM 0 HA GLN A 12 85.912 -3.289 -13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.603 -1.239 -14.704 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.872 -1.424 -14.903 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.543 0.106 -12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.274 0.376 -12.865 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.583 -0.127 -16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.299 1.547 -16.583 1.00 0.00 H new ATOM 198 N LYS A 13 86.293 -1.394 -10.928 1.00 0.00 N ATOM 199 CA LYS A 13 87.261 -1.030 -9.885 1.00 0.00 C ATOM 200 C LYS A 13 87.275 -1.986 -8.687 1.00 0.00 C ATOM 201 O LYS A 13 88.295 -2.612 -8.410 1.00 0.00 O ATOM 202 CB LYS A 13 86.986 0.393 -9.381 1.00 0.00 C ATOM 203 CG LYS A 13 87.291 1.413 -10.493 1.00 0.00 C ATOM 204 CD LYS A 13 87.922 2.673 -9.890 1.00 0.00 C ATOM 205 CE LYS A 13 88.400 3.588 -11.018 1.00 0.00 C ATOM 206 NZ LYS A 13 88.947 4.847 -10.438 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.326 -1.139 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 13 88.241 -1.096 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.945 0.483 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.600 0.603 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.967 0.973 -11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.374 1.673 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.196 3.194 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.759 2.402 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.165 3.085 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.574 3.814 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.691 5.222 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.184 5.548 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.348 4.651 -9.499 1.00 0.00 H new ATOM 220 N CYS A 14 86.173 -2.050 -7.941 1.00 0.00 N ATOM 221 CA CYS A 14 86.131 -2.882 -6.731 1.00 0.00 C ATOM 222 C CYS A 14 85.851 -4.359 -7.006 1.00 0.00 C ATOM 223 O CYS A 14 86.389 -5.224 -6.316 1.00 0.00 O ATOM 224 CB CYS A 14 85.084 -2.332 -5.760 1.00 0.00 C ATOM 225 SG CYS A 14 84.986 -0.526 -5.916 1.00 0.00 S ATOM 0 H CYS A 14 85.309 -1.547 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 14 87.128 -2.834 -6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.111 -2.777 -5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.345 -2.604 -4.737 1.00 0.00 H new ATOM 0 HG CYS A 14 84.093 -0.067 -5.090 1.00 0.00 H new ATOM 230 N ALA A 15 85.014 -4.660 -7.985 1.00 0.00 N ATOM 231 CA ALA A 15 84.700 -6.057 -8.272 1.00 0.00 C ATOM 232 C ALA A 15 85.981 -6.887 -8.340 1.00 0.00 C ATOM 233 O ALA A 15 85.967 -8.090 -8.076 1.00 0.00 O ATOM 234 CB ALA A 15 83.942 -6.164 -9.594 1.00 0.00 C ATOM 0 H ALA A 15 84.548 -3.978 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 15 84.073 -6.444 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.713 -7.210 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.014 -5.595 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.557 -5.763 -10.400 1.00 0.00 H new ATOM 240 N GLN A 16 87.083 -6.237 -8.693 1.00 0.00 N ATOM 241 CA GLN A 16 88.367 -6.922 -8.795 1.00 0.00 C ATOM 242 C GLN A 16 88.634 -7.783 -7.559 1.00 0.00 C ATOM 243 O GLN A 16 88.781 -9.001 -7.668 1.00 0.00 O ATOM 244 CB GLN A 16 89.493 -5.894 -8.965 1.00 0.00 C ATOM 245 CG GLN A 16 89.713 -5.604 -10.453 1.00 0.00 C ATOM 246 CD GLN A 16 90.848 -4.601 -10.626 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.615 -3.465 -11.041 1.00 0.00 O ATOM 248 NE2 GLN A 16 92.070 -4.953 -10.333 1.00 0.00 N ATOM 0 H GLN A 16 87.115 -5.241 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 16 88.335 -7.577 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.239 -4.973 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.413 -6.272 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.949 -6.528 -10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.798 -5.210 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 16 92.261 -5.894 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.834 -4.287 -10.448 1.00 0.00 H new ATOM 257 N CYS A 17 88.712 -7.148 -6.387 1.00 0.00 N ATOM 258 CA CYS A 17 88.980 -7.884 -5.147 1.00 0.00 C ATOM 259 C CYS A 17 87.890 -7.635 -4.098 1.00 0.00 C ATOM 260 O CYS A 17 88.189 -7.320 -2.946 1.00 0.00 O ATOM 261 CB CYS A 17 90.351 -7.474 -4.578 1.00 0.00 C ATOM 262 SG CYS A 17 91.373 -6.740 -5.888 1.00 0.00 S ATOM 0 H CYS A 17 88.596 -6.141 -6.269 1.00 0.00 H new ATOM 0 HA CYS A 17 88.984 -8.948 -5.385 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.218 -6.759 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.854 -8.344 -4.157 1.00 0.00 H new ATOM 0 HG CYS A 17 92.526 -6.396 -5.397 1.00 0.00 H new ATOM 267 N HIS A 18 86.626 -7.793 -4.492 1.00 0.00 N ATOM 268 CA HIS A 18 85.519 -7.594 -3.554 1.00 0.00 C ATOM 269 C HIS A 18 84.282 -8.369 -4.003 1.00 0.00 C ATOM 270 O HIS A 18 84.327 -9.124 -4.974 1.00 0.00 O ATOM 271 CB HIS A 18 85.173 -6.106 -3.437 1.00 0.00 C ATOM 272 CG HIS A 18 86.123 -5.433 -2.481 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.888 -5.378 -1.116 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.304 -4.771 -2.683 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.908 -4.699 -0.556 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.800 -4.303 -1.469 1.00 0.00 N ATOM 0 H HIS A 18 86.345 -8.054 -5.437 1.00 0.00 H new ATOM 0 HA HIS A 18 85.837 -7.966 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.232 -5.632 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.147 -5.988 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.781 -4.632 -3.642 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.994 -4.499 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.657 -3.773 -1.311 1.00 0.00 H new ATOM 284 N THR A 19 83.180 -8.178 -3.281 1.00 0.00 N ATOM 285 CA THR A 19 81.929 -8.865 -3.600 1.00 0.00 C ATOM 286 C THR A 19 80.737 -7.935 -3.368 1.00 0.00 C ATOM 287 O THR A 19 79.802 -7.896 -4.168 1.00 0.00 O ATOM 288 CB THR A 19 81.796 -10.118 -2.720 1.00 0.00 C ATOM 289 OG1 THR A 19 82.860 -10.146 -1.781 1.00 0.00 O ATOM 290 CG2 THR A 19 81.856 -11.376 -3.590 1.00 0.00 C ATOM 0 H THR A 19 83.127 -7.556 -2.474 1.00 0.00 H new ATOM 0 HA THR A 19 81.941 -9.157 -4.650 1.00 0.00 H new ATOM 0 HB THR A 19 80.840 -10.089 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.777 -10.943 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.761 -12.260 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.041 -11.357 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.809 -11.408 -4.118 1.00 0.00 H new ATOM 298 N VAL A 20 80.784 -7.189 -2.270 1.00 0.00 N ATOM 299 CA VAL A 20 79.714 -6.257 -1.927 1.00 0.00 C ATOM 300 C VAL A 20 78.338 -6.884 -2.145 1.00 0.00 C ATOM 301 O VAL A 20 77.359 -6.177 -2.386 1.00 0.00 O ATOM 302 CB VAL A 20 79.847 -4.970 -2.752 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.273 -4.429 -2.623 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.552 -5.254 -4.223 1.00 0.00 C ATOM 0 H VAL A 20 81.553 -7.211 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 20 79.808 -6.014 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 20 79.134 -4.235 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.370 -3.515 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.487 -4.214 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.979 -5.173 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.650 -4.333 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.259 -5.994 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.537 -5.638 -4.323 1.00 0.00 H new ATOM 314 N GLU A 21 78.265 -8.211 -2.045 1.00 0.00 N ATOM 315 CA GLU A 21 76.995 -8.918 -2.222 1.00 0.00 C ATOM 316 C GLU A 21 76.640 -9.701 -0.960 1.00 0.00 C ATOM 317 O GLU A 21 77.245 -10.730 -0.661 1.00 0.00 O ATOM 318 CB GLU A 21 77.079 -9.874 -3.417 1.00 0.00 C ATOM 319 CG GLU A 21 78.405 -10.643 -3.384 1.00 0.00 C ATOM 320 CD GLU A 21 78.276 -11.945 -4.170 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.247 -12.138 -4.795 1.00 0.00 O ATOM 322 OE2 GLU A 21 79.211 -12.729 -4.136 1.00 0.00 O1- ATOM 0 H GLU A 21 79.062 -8.815 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 21 76.216 -8.180 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.243 -10.573 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 76.998 -9.313 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 21 79.200 -10.030 -3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 78.684 -10.858 -2.353 1.00 0.00 H new ATOM 329 N LYS A 22 75.657 -9.202 -0.219 1.00 0.00 N ATOM 330 CA LYS A 22 75.234 -9.859 1.012 1.00 0.00 C ATOM 331 C LYS A 22 74.948 -11.338 0.770 1.00 0.00 C ATOM 332 O LYS A 22 74.011 -11.692 0.054 1.00 0.00 O ATOM 333 CB LYS A 22 73.982 -9.173 1.565 1.00 0.00 C ATOM 334 CG LYS A 22 74.063 -9.115 3.095 1.00 0.00 C ATOM 335 CD LYS A 22 72.660 -8.946 3.671 1.00 0.00 C ATOM 336 CE LYS A 22 72.756 -8.527 5.139 1.00 0.00 C ATOM 337 NZ LYS A 22 73.199 -7.106 5.221 1.00 0.00 N1+ ATOM 0 H LYS A 22 75.142 -8.352 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 22 76.043 -9.779 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.896 -8.166 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.090 -9.719 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.519 -10.027 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.698 -8.285 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.111 -8.195 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.105 -9.880 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.788 -8.646 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.460 -9.170 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.917 -6.707 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 74.234 -7.059 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.756 -6.559 4.455 1.00 0.00 H new ATOM 351 N GLY A 23 75.757 -12.199 1.382 1.00 0.00 N ATOM 352 CA GLY A 23 75.580 -13.641 1.239 1.00 0.00 C ATOM 353 C GLY A 23 76.477 -14.207 0.145 1.00 0.00 C ATOM 354 O GLY A 23 76.257 -15.320 -0.334 1.00 0.00 O ATOM 0 H GLY A 23 76.538 -11.925 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.805 -14.132 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.538 -13.860 1.006 1.00 0.00 H new ATOM 358 N GLY A 24 77.489 -13.440 -0.247 1.00 0.00 N ATOM 359 CA GLY A 24 78.411 -13.887 -1.286 1.00 0.00 C ATOM 360 C GLY A 24 79.625 -14.582 -0.678 1.00 0.00 C ATOM 361 O GLY A 24 79.507 -15.320 0.299 1.00 0.00 O ATOM 0 H GLY A 24 77.691 -12.516 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.898 -14.570 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.736 -13.033 -1.880 1.00 0.00 H new ATOM 365 N LYS A 25 80.792 -14.338 -1.268 1.00 0.00 N ATOM 366 CA LYS A 25 82.029 -14.943 -0.783 1.00 0.00 C ATOM 367 C LYS A 25 83.213 -14.010 -1.024 1.00 0.00 C ATOM 368 O LYS A 25 83.479 -13.606 -2.156 1.00 0.00 O ATOM 369 CB LYS A 25 82.274 -16.280 -1.492 1.00 0.00 C ATOM 370 CG LYS A 25 82.032 -16.125 -3.004 1.00 0.00 C ATOM 371 CD LYS A 25 80.625 -16.616 -3.360 1.00 0.00 C ATOM 372 CE LYS A 25 80.237 -16.091 -4.743 1.00 0.00 C ATOM 373 NZ LYS A 25 81.321 -16.405 -5.716 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.907 -13.729 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 25 81.930 -15.116 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.295 -16.615 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.611 -17.044 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 82.146 -15.081 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.777 -16.694 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.595 -17.706 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.908 -16.272 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.301 -16.545 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.071 -15.014 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.945 -16.350 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.095 -15.720 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 81.680 -17.365 -5.538 1.00 0.00 H new ATOM 387 N HIS A 26 83.920 -13.668 0.048 1.00 0.00 N ATOM 388 CA HIS A 26 85.071 -12.780 -0.059 1.00 0.00 C ATOM 389 C HIS A 26 86.071 -13.310 -1.081 1.00 0.00 C ATOM 390 O HIS A 26 86.558 -14.434 -0.967 1.00 0.00 O ATOM 391 CB HIS A 26 85.752 -12.638 1.308 1.00 0.00 C ATOM 392 CG HIS A 26 85.607 -13.921 2.081 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.730 -15.164 1.481 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.352 -14.169 3.407 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.550 -16.095 2.436 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.317 -15.542 3.628 1.00 0.00 N ATOM 0 H HIS A 26 83.718 -13.990 0.995 1.00 0.00 H new ATOM 0 HA HIS A 26 84.720 -11.803 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.807 -12.398 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.305 -11.814 1.864 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.922 -15.341 0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 26 85.201 -13.413 4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.589 -17.160 2.259 1.00 0.00 H new ATOM 405 N LYS A 27 86.375 -12.482 -2.078 1.00 0.00 N ATOM 406 CA LYS A 27 87.324 -12.856 -3.123 1.00 0.00 C ATOM 407 C LYS A 27 88.542 -11.940 -3.072 1.00 0.00 C ATOM 408 O LYS A 27 88.527 -10.842 -3.628 1.00 0.00 O ATOM 409 CB LYS A 27 86.659 -12.748 -4.497 1.00 0.00 C ATOM 410 CG LYS A 27 87.559 -13.390 -5.556 1.00 0.00 C ATOM 411 CD LYS A 27 87.108 -12.944 -6.948 1.00 0.00 C ATOM 412 CE LYS A 27 85.684 -13.436 -7.209 1.00 0.00 C ATOM 413 NZ LYS A 27 85.397 -13.374 -8.670 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.978 -11.548 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 27 87.641 -13.886 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.688 -13.243 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.479 -11.702 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.597 -13.102 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.513 -14.476 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.147 -11.857 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.785 -13.341 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.569 -14.458 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.969 -12.822 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.429 -13.709 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.491 -12.392 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.071 -13.978 -9.182 1.00 0.00 H new ATOM 427 N THR A 28 89.591 -12.394 -2.396 1.00 0.00 N ATOM 428 CA THR A 28 90.808 -11.601 -2.273 1.00 0.00 C ATOM 429 C THR A 28 90.495 -10.264 -1.605 1.00 0.00 C ATOM 430 O THR A 28 91.182 -9.268 -1.827 1.00 0.00 O ATOM 431 CB THR A 28 91.416 -11.362 -3.661 1.00 0.00 C ATOM 432 OG1 THR A 28 91.486 -12.596 -4.360 1.00 0.00 O ATOM 433 CG2 THR A 28 92.825 -10.772 -3.525 1.00 0.00 C ATOM 0 H THR A 28 89.624 -13.300 -1.928 1.00 0.00 H new ATOM 0 HA THR A 28 91.525 -12.144 -1.658 1.00 0.00 H new ATOM 0 HB THR A 28 90.789 -10.660 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.872 -12.447 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.247 -10.606 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.772 -9.824 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.458 -11.466 -2.972 1.00 0.00 H new ATOM 441 N GLY A 29 89.449 -10.258 -0.784 1.00 0.00 N ATOM 442 CA GLY A 29 89.044 -9.046 -0.080 1.00 0.00 C ATOM 443 C GLY A 29 87.790 -9.302 0.755 1.00 0.00 C ATOM 444 O GLY A 29 87.015 -10.209 0.456 1.00 0.00 O ATOM 0 H GLY A 29 88.869 -11.074 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.854 -8.706 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.853 -8.249 -0.798 1.00 0.00 H new ATOM 448 N PRO A 30 87.579 -8.525 1.786 1.00 0.00 N ATOM 449 CA PRO A 30 86.392 -8.677 2.679 1.00 0.00 C ATOM 450 C PRO A 30 85.095 -8.237 2.000 1.00 0.00 C ATOM 451 O PRO A 30 85.119 -7.585 0.956 1.00 0.00 O ATOM 452 CB PRO A 30 86.720 -7.772 3.871 1.00 0.00 C ATOM 453 CG PRO A 30 87.648 -6.736 3.329 1.00 0.00 C ATOM 454 CD PRO A 30 88.448 -7.417 2.217 1.00 0.00 C ATOM 0 HA PRO A 30 86.222 -9.717 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.818 -7.318 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.187 -8.337 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.093 -5.881 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.309 -6.360 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.657 -6.730 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.409 -7.781 2.581 1.00 0.00 H new ATOM 462 N ASN A 31 83.965 -8.597 2.605 1.00 0.00 N ATOM 463 CA ASN A 31 82.661 -8.234 2.059 1.00 0.00 C ATOM 464 C ASN A 31 82.146 -6.962 2.720 1.00 0.00 C ATOM 465 O ASN A 31 81.987 -6.903 3.937 1.00 0.00 O ATOM 466 CB ASN A 31 81.663 -9.372 2.283 1.00 0.00 C ATOM 467 CG ASN A 31 81.324 -9.486 3.766 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.509 -8.718 4.278 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.902 -10.405 4.490 1.00 0.00 N ATOM 0 H ASN A 31 83.927 -9.137 3.469 1.00 0.00 H new ATOM 0 HA ASN A 31 82.770 -8.058 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.756 -9.189 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.084 -10.311 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.679 -10.488 5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.577 -11.040 4.064 1.00 0.00 H new ATOM 476 N LEU A 32 81.893 -5.946 1.906 1.00 0.00 N ATOM 477 CA LEU A 32 81.404 -4.669 2.411 1.00 0.00 C ATOM 478 C LEU A 32 79.918 -4.744 2.753 1.00 0.00 C ATOM 479 O LEU A 32 79.184 -3.768 2.589 1.00 0.00 O ATOM 480 CB LEU A 32 81.636 -3.567 1.371 1.00 0.00 C ATOM 481 CG LEU A 32 83.028 -3.719 0.742 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.384 -2.448 -0.039 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.073 -3.944 1.840 1.00 0.00 C ATOM 0 H LEU A 32 82.018 -5.981 0.894 1.00 0.00 H new ATOM 0 HA LEU A 32 81.957 -4.435 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.871 -3.620 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.546 -2.588 1.841 1.00 0.00 H new ATOM 0 HG LEU A 32 83.020 -4.574 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.373 -2.559 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.648 -2.287 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.385 -1.593 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.059 -4.051 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.076 -3.092 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.828 -4.850 2.395 1.00 0.00 H new ATOM 495 N HIS A 33 79.479 -5.901 3.238 1.00 0.00 N ATOM 496 CA HIS A 33 78.078 -6.073 3.611 1.00 0.00 C ATOM 497 C HIS A 33 77.716 -5.101 4.730 1.00 0.00 C ATOM 498 O HIS A 33 78.521 -4.861 5.631 1.00 0.00 O ATOM 499 CB HIS A 33 77.830 -7.508 4.086 1.00 0.00 C ATOM 500 CG HIS A 33 78.113 -8.476 2.968 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.286 -9.833 3.194 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.251 -8.302 1.612 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.516 -10.418 2.005 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.504 -9.531 1.007 1.00 0.00 N ATOM 0 H HIS A 33 80.064 -6.724 3.381 1.00 0.00 H new ATOM 0 HA HIS A 33 77.457 -5.871 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.467 -7.732 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.798 -7.616 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.175 -7.357 1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.689 -11.476 1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.649 -9.714 0.014 1.00 0.00 H new ATOM 513 N GLY A 34 76.509 -4.539 4.671 1.00 0.00 N ATOM 514 CA GLY A 34 76.067 -3.589 5.693 1.00 0.00 C ATOM 515 C GLY A 34 77.234 -2.729 6.168 1.00 0.00 C ATOM 516 O GLY A 34 77.285 -2.308 7.323 1.00 0.00 O ATOM 0 H GLY A 34 75.826 -4.722 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.280 -2.952 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.639 -4.129 6.538 1.00 0.00 H new ATOM 520 N LEU A 35 78.172 -2.487 5.261 1.00 0.00 N ATOM 521 CA LEU A 35 79.354 -1.692 5.570 1.00 0.00 C ATOM 522 C LEU A 35 78.977 -0.385 6.268 1.00 0.00 C ATOM 523 O LEU A 35 79.438 -0.100 7.372 1.00 0.00 O ATOM 524 CB LEU A 35 80.098 -1.390 4.260 1.00 0.00 C ATOM 525 CG LEU A 35 81.284 -0.441 4.506 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.564 -1.254 4.712 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.466 0.481 3.295 1.00 0.00 C ATOM 0 H LEU A 35 78.137 -2.831 4.302 1.00 0.00 H new ATOM 0 HA LEU A 35 79.994 -2.257 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.457 -2.320 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.411 -0.941 3.543 1.00 0.00 H new ATOM 0 HG LEU A 35 81.083 0.156 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.401 -0.577 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.443 -1.911 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.761 -1.854 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.307 1.152 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.662 -0.120 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.559 1.067 3.144 1.00 0.00 H new ATOM 539 N PHE A 36 78.149 0.410 5.613 1.00 0.00 N ATOM 540 CA PHE A 36 77.732 1.692 6.169 1.00 0.00 C ATOM 541 C PHE A 36 77.156 1.528 7.576 1.00 0.00 C ATOM 542 O PHE A 36 75.958 1.299 7.739 1.00 0.00 O ATOM 543 CB PHE A 36 76.685 2.343 5.258 1.00 0.00 C ATOM 544 CG PHE A 36 77.180 2.338 3.828 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.047 1.185 3.043 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.778 3.485 3.287 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.512 1.178 1.723 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.241 3.477 1.968 1.00 0.00 C ATOM 549 CZ PHE A 36 78.110 2.323 1.185 1.00 0.00 C ATOM 0 H PHE A 36 77.752 0.194 4.699 1.00 0.00 H new ATOM 0 HA PHE A 36 78.613 2.331 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.741 1.802 5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.492 3.365 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.585 0.301 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.881 4.375 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.409 0.288 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.700 4.362 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.470 2.317 0.167 1.00 0.00 H new ATOM 559 N GLY A 37 78.011 1.667 8.593 1.00 0.00 N ATOM 560 CA GLY A 37 77.555 1.552 9.979 1.00 0.00 C ATOM 561 C GLY A 37 78.542 0.785 10.862 1.00 0.00 C ATOM 562 O GLY A 37 78.579 0.992 12.075 1.00 0.00 O ATOM 0 H GLY A 37 79.007 1.856 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.403 2.549 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.588 1.049 9.999 1.00 0.00 H new ATOM 566 N ARG A 38 79.325 -0.108 10.264 1.00 0.00 N ATOM 567 CA ARG A 38 80.284 -0.902 11.038 1.00 0.00 C ATOM 568 C ARG A 38 81.628 -0.180 11.174 1.00 0.00 C ATOM 569 O ARG A 38 82.039 0.568 10.288 1.00 0.00 O ATOM 570 CB ARG A 38 80.502 -2.262 10.362 1.00 0.00 C ATOM 571 CG ARG A 38 79.584 -3.325 10.984 1.00 0.00 C ATOM 572 CD ARG A 38 80.002 -4.723 10.500 1.00 0.00 C ATOM 573 NE ARG A 38 79.091 -5.189 9.457 1.00 0.00 N ATOM 574 CZ ARG A 38 79.521 -5.902 8.414 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.789 -6.198 8.288 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.669 -6.308 7.513 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.319 -0.301 9.262 1.00 0.00 H new ATOM 0 HA ARG A 38 79.870 -1.046 12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.302 -2.180 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.544 -2.565 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.640 -3.275 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.548 -3.130 10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.022 -4.693 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.997 -5.422 11.336 1.00 0.00 H new ATOM 0 HE ARG A 38 78.099 -4.963 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.458 -5.883 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.108 -6.743 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.679 -6.080 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 38 78.993 -6.853 6.714 1.00 0.00 H new ATOM 590 N LYS A 39 82.305 -0.426 12.297 1.00 0.00 N ATOM 591 CA LYS A 39 83.605 0.190 12.561 1.00 0.00 C ATOM 592 C LYS A 39 84.679 -0.388 11.638 1.00 0.00 C ATOM 593 O LYS A 39 84.450 -1.387 10.958 1.00 0.00 O ATOM 594 CB LYS A 39 84.000 -0.046 14.025 1.00 0.00 C ATOM 595 CG LYS A 39 83.446 1.080 14.910 1.00 0.00 C ATOM 596 CD LYS A 39 84.450 2.236 14.974 1.00 0.00 C ATOM 597 CE LYS A 39 83.927 3.313 15.926 1.00 0.00 C ATOM 598 NZ LYS A 39 85.026 4.266 16.250 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.975 -1.046 13.036 1.00 0.00 H new ATOM 0 HA LYS A 39 83.526 1.260 12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.614 -1.008 14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.085 -0.089 14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.496 1.434 14.510 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.249 0.702 15.913 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.419 1.872 15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.601 2.656 13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.093 3.845 15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.549 2.854 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.671 4.998 16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.808 3.753 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.367 4.713 15.375 1.00 0.00 H new ATOM 612 N THR A 40 85.847 0.255 11.614 1.00 0.00 N ATOM 613 CA THR A 40 86.947 -0.195 10.765 1.00 0.00 C ATOM 614 C THR A 40 87.485 -1.548 11.216 1.00 0.00 C ATOM 615 O THR A 40 87.559 -1.838 12.411 1.00 0.00 O ATOM 616 CB THR A 40 88.077 0.840 10.778 1.00 0.00 C ATOM 617 OG1 THR A 40 88.296 1.283 12.108 1.00 0.00 O ATOM 618 CG2 THR A 40 87.693 2.034 9.902 1.00 0.00 C ATOM 0 H THR A 40 86.054 1.085 12.170 1.00 0.00 H new ATOM 0 HA THR A 40 86.561 -0.305 9.752 1.00 0.00 H new ATOM 0 HB THR A 40 88.988 0.384 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.238 1.531 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.499 2.768 9.914 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.525 1.696 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.781 2.490 10.288 1.00 0.00 H new ATOM 626 N GLY A 41 87.866 -2.371 10.241 1.00 0.00 N ATOM 627 CA GLY A 41 88.405 -3.694 10.528 1.00 0.00 C ATOM 628 C GLY A 41 87.574 -4.411 11.585 1.00 0.00 C ATOM 629 O GLY A 41 88.111 -4.913 12.573 1.00 0.00 O ATOM 0 H GLY A 41 87.811 -2.144 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.425 -4.287 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.435 -3.603 10.872 1.00 0.00 H new ATOM 633 N GLN A 42 86.263 -4.451 11.374 1.00 0.00 N ATOM 634 CA GLN A 42 85.359 -5.105 12.320 1.00 0.00 C ATOM 635 C GLN A 42 84.677 -6.312 11.683 1.00 0.00 C ATOM 636 O GLN A 42 84.164 -7.185 12.383 1.00 0.00 O ATOM 637 CB GLN A 42 84.296 -4.113 12.794 1.00 0.00 C ATOM 638 CG GLN A 42 83.533 -4.711 13.978 1.00 0.00 C ATOM 639 CD GLN A 42 82.550 -3.687 14.535 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.770 -3.135 15.613 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.470 -3.400 13.861 1.00 0.00 N ATOM 0 H GLN A 42 85.802 -4.041 10.562 1.00 0.00 H new ATOM 0 HA GLN A 42 85.949 -5.448 13.170 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.765 -3.173 13.087 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.607 -3.886 11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.998 -5.606 13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.233 -5.016 14.756 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.289 -3.858 12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.807 -2.717 14.227 1.00 0.00 H new ATOM 701 N THR A 47 91.702 -11.107 7.099 1.00 0.00 N ATOM 702 CA THR A 47 92.699 -10.717 8.090 1.00 0.00 C ATOM 703 C THR A 47 92.918 -9.209 8.057 1.00 0.00 C ATOM 704 O THR A 47 93.832 -8.717 7.396 1.00 0.00 O ATOM 705 CB THR A 47 94.020 -11.435 7.812 1.00 0.00 C ATOM 706 OG1 THR A 47 93.766 -12.812 7.566 1.00 0.00 O ATOM 707 CG2 THR A 47 94.945 -11.292 9.020 1.00 0.00 C ATOM 0 HA THR A 47 92.336 -11.000 9.078 1.00 0.00 H new ATOM 0 HB THR A 47 94.498 -10.992 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.884 -12.913 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.886 -11.804 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.139 -10.236 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.470 -11.734 9.896 1.00 0.00 H new ATOM 715 N TYR A 48 92.066 -8.483 8.769 1.00 0.00 N ATOM 716 CA TYR A 48 92.164 -7.029 8.816 1.00 0.00 C ATOM 717 C TYR A 48 93.488 -6.588 9.425 1.00 0.00 C ATOM 718 O TYR A 48 94.075 -7.293 10.246 1.00 0.00 O ATOM 719 CB TYR A 48 91.006 -6.461 9.642 1.00 0.00 C ATOM 720 CG TYR A 48 89.822 -6.205 8.745 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.897 -5.206 7.772 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.652 -6.959 8.888 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.802 -4.956 6.940 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.556 -6.710 8.057 1.00 0.00 C ATOM 725 CZ TYR A 48 87.630 -5.708 7.083 1.00 0.00 C ATOM 726 OH TYR A 48 86.546 -5.462 6.267 1.00 0.00 O ATOM 0 H TYR A 48 91.302 -8.875 9.320 1.00 0.00 H new ATOM 0 HA TYR A 48 92.112 -6.650 7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.732 -7.161 10.432 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.313 -5.535 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.802 -4.626 7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.596 -7.733 9.640 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.860 -4.183 6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.652 -7.291 8.167 1.00 0.00 H new ATOM 0 HH TYR A 48 85.816 -6.074 6.499 1.00 0.00 H new ATOM 736 N THR A 49 93.946 -5.407 9.021 1.00 0.00 N ATOM 737 CA THR A 49 95.197 -4.864 9.535 1.00 0.00 C ATOM 738 C THR A 49 94.951 -4.128 10.848 1.00 0.00 C ATOM 739 O THR A 49 93.833 -3.698 11.127 1.00 0.00 O ATOM 740 CB THR A 49 95.806 -3.898 8.516 1.00 0.00 C ATOM 741 OG1 THR A 49 94.889 -2.842 8.264 1.00 0.00 O ATOM 742 CG2 THR A 49 96.100 -4.643 7.213 1.00 0.00 C ATOM 0 H THR A 49 93.472 -4.811 8.343 1.00 0.00 H new ATOM 0 HA THR A 49 95.888 -5.688 9.710 1.00 0.00 H new ATOM 0 HB THR A 49 96.735 -3.488 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.377 -1.995 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.534 -3.953 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.803 -5.453 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.174 -5.055 6.812 1.00 0.00 H new ATOM 750 N ASP A 50 96.000 -3.987 11.651 1.00 0.00 N ATOM 751 CA ASP A 50 95.881 -3.300 12.932 1.00 0.00 C ATOM 752 C ASP A 50 95.279 -1.911 12.744 1.00 0.00 C ATOM 753 O ASP A 50 94.369 -1.515 13.472 1.00 0.00 O ATOM 754 CB ASP A 50 97.261 -3.179 13.586 1.00 0.00 C ATOM 755 CG ASP A 50 98.319 -2.908 12.522 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.039 -2.140 11.617 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 99.395 -3.473 12.628 1.00 0.00 O ATOM 0 H ASP A 50 96.935 -4.336 11.440 1.00 0.00 H new ATOM 0 HA ASP A 50 95.222 -3.881 13.576 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.256 -2.373 14.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.500 -4.097 14.123 1.00 0.00 H new ATOM 762 N ALA A 51 95.794 -1.178 11.765 1.00 0.00 N ATOM 763 CA ALA A 51 95.301 0.167 11.493 1.00 0.00 C ATOM 764 C ALA A 51 93.785 0.163 11.333 1.00 0.00 C ATOM 765 O ALA A 51 93.100 1.059 11.823 1.00 0.00 O ATOM 766 CB ALA A 51 95.951 0.715 10.225 1.00 0.00 C ATOM 0 H ALA A 51 96.547 -1.488 11.150 1.00 0.00 H new ATOM 0 HA ALA A 51 95.561 0.805 12.337 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.577 1.720 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.033 0.750 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.708 0.067 9.383 1.00 0.00 H new ATOM 772 N ASN A 52 93.266 -0.850 10.649 1.00 0.00 N ATOM 773 CA ASN A 52 91.826 -0.957 10.439 1.00 0.00 C ATOM 774 C ASN A 52 91.163 -1.552 11.679 1.00 0.00 C ATOM 775 O ASN A 52 89.990 -1.301 11.955 1.00 0.00 O ATOM 776 CB ASN A 52 91.543 -1.840 9.212 1.00 0.00 C ATOM 777 CG ASN A 52 90.504 -1.189 8.298 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.202 -0.004 8.436 1.00 0.00 O ATOM 779 ND2 ASN A 52 89.939 -1.901 7.361 1.00 0.00 N ATOM 0 H ASN A 52 93.814 -1.603 10.233 1.00 0.00 H new ATOM 0 HA ASN A 52 91.415 0.037 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.467 -2.006 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.186 -2.817 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.248 -1.475 6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.189 -2.883 7.246 1.00 0.00 H new ATOM 786 N LYS A 53 91.934 -2.333 12.427 1.00 0.00 N ATOM 787 CA LYS A 53 91.442 -2.958 13.635 1.00 0.00 C ATOM 788 C LYS A 53 91.530 -1.976 14.792 1.00 0.00 C ATOM 789 O LYS A 53 90.984 -2.208 15.870 1.00 0.00 O ATOM 790 CB LYS A 53 92.287 -4.197 13.940 1.00 0.00 C ATOM 791 CG LYS A 53 91.422 -5.238 14.633 1.00 0.00 C ATOM 792 CD LYS A 53 92.307 -6.357 15.187 1.00 0.00 C ATOM 793 CE LYS A 53 91.432 -7.536 15.615 1.00 0.00 C ATOM 794 NZ LYS A 53 92.296 -8.626 16.151 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.908 -2.545 12.211 1.00 0.00 H new ATOM 0 HA LYS A 53 90.401 -3.252 13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 92.699 -4.606 13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.131 -3.928 14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 53 90.856 -4.775 15.441 1.00 0.00 H new ATOM 0 HG3 LYS A 53 90.697 -5.649 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.022 -6.678 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.884 -5.992 16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 53 90.718 -7.216 16.374 1.00 0.00 H new ATOM 0 HE3 LYS A 53 90.853 -7.900 14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.702 -9.428 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 92.960 -8.937 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.830 -8.274 16.972 1.00 0.00 H new ATOM 808 N ASN A 54 92.231 -0.877 14.551 1.00 0.00 N ATOM 809 CA ASN A 54 92.403 0.146 15.568 1.00 0.00 C ATOM 810 C ASN A 54 91.066 0.789 15.904 1.00 0.00 C ATOM 811 O ASN A 54 90.908 1.418 16.950 1.00 0.00 O ATOM 812 CB ASN A 54 93.375 1.208 15.055 1.00 0.00 C ATOM 813 CG ASN A 54 92.634 2.279 14.256 1.00 0.00 C ATOM 814 OD1 ASN A 54 92.948 3.464 14.366 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.664 1.932 13.456 1.00 0.00 N ATOM 0 H ASN A 54 92.688 -0.673 13.662 1.00 0.00 H new ATOM 0 HA ASN A 54 92.804 -0.313 16.472 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.894 1.669 15.895 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.134 0.740 14.428 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.165 2.643 12.921 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.404 0.950 13.365 1.00 0.00 H new ATOM 822 N LYS A 55 90.113 0.622 15.003 1.00 0.00 N ATOM 823 CA LYS A 55 88.780 1.186 15.199 1.00 0.00 C ATOM 824 C LYS A 55 88.865 2.692 15.421 1.00 0.00 C ATOM 825 O LYS A 55 88.527 3.190 16.496 1.00 0.00 O ATOM 826 CB LYS A 55 88.104 0.532 16.405 1.00 0.00 C ATOM 827 CG LYS A 55 87.837 -0.944 16.106 1.00 0.00 C ATOM 828 CD LYS A 55 87.246 -1.618 17.346 1.00 0.00 C ATOM 829 CE LYS A 55 87.270 -3.136 17.163 1.00 0.00 C ATOM 830 NZ LYS A 55 86.690 -3.791 18.369 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.232 0.104 14.132 1.00 0.00 H new ATOM 0 HA LYS A 55 88.190 0.991 14.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.739 0.626 17.286 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.168 1.043 16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.149 -1.037 15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.763 -1.440 15.816 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.817 -1.339 18.231 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.223 -1.277 17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.702 -3.415 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.293 -3.478 17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.706 -4.823 18.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 87.250 -3.534 19.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.708 -3.473 18.498 1.00 0.00 H new ATOM 844 N GLY A 56 89.326 3.413 14.404 1.00 0.00 N ATOM 845 CA GLY A 56 89.460 4.863 14.506 1.00 0.00 C ATOM 846 C GLY A 56 88.168 5.571 14.108 1.00 0.00 C ATOM 847 O GLY A 56 87.771 6.551 14.738 1.00 0.00 O ATOM 0 H GLY A 56 89.611 3.022 13.506 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.725 5.134 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.274 5.201 13.865 1.00 0.00 H new ATOM 851 N ILE A 57 87.517 5.073 13.063 1.00 0.00 N ATOM 852 CA ILE A 57 86.270 5.675 12.595 1.00 0.00 C ATOM 853 C ILE A 57 85.314 4.601 12.088 1.00 0.00 C ATOM 854 O ILE A 57 85.653 3.419 12.066 1.00 0.00 O ATOM 855 CB ILE A 57 86.561 6.688 11.483 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.106 5.961 10.243 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.601 7.695 11.979 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.955 5.384 9.406 1.00 0.00 C ATOM 0 H ILE A 57 87.826 4.262 12.527 1.00 0.00 H new ATOM 0 HA ILE A 57 85.799 6.191 13.432 1.00 0.00 H new ATOM 0 HB ILE A 57 85.640 7.207 11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.692 6.652 9.638 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.777 5.159 10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.812 8.418 11.191 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.215 8.215 12.855 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.519 7.170 12.244 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.361 4.873 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.386 4.676 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.300 6.193 9.082 1.00 0.00 H new ATOM 870 N THR A 58 84.113 5.020 11.694 1.00 0.00 N ATOM 871 CA THR A 58 83.104 4.081 11.203 1.00 0.00 C ATOM 872 C THR A 58 82.809 4.306 9.723 1.00 0.00 C ATOM 873 O THR A 58 82.735 5.443 9.262 1.00 0.00 O ATOM 874 CB THR A 58 81.815 4.247 12.013 1.00 0.00 C ATOM 875 OG1 THR A 58 82.047 3.843 13.355 1.00 0.00 O ATOM 876 CG2 THR A 58 80.707 3.387 11.405 1.00 0.00 C ATOM 0 H THR A 58 83.815 5.996 11.704 1.00 0.00 H new ATOM 0 HA THR A 58 83.493 3.070 11.322 1.00 0.00 H new ATOM 0 HB THR A 58 81.508 5.293 11.993 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.224 3.950 13.876 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.792 3.509 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.528 3.698 10.376 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.009 2.340 11.420 1.00 0.00 H new ATOM 884 N TRP A 59 82.627 3.209 8.988 1.00 0.00 N ATOM 885 CA TRP A 59 82.323 3.303 7.565 1.00 0.00 C ATOM 886 C TRP A 59 80.992 4.014 7.362 1.00 0.00 C ATOM 887 O TRP A 59 80.018 3.738 8.062 1.00 0.00 O ATOM 888 CB TRP A 59 82.240 1.913 6.931 1.00 0.00 C ATOM 889 CG TRP A 59 83.383 1.061 7.387 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.660 1.479 7.520 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.372 -0.348 7.764 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.435 0.417 7.950 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.684 -0.729 8.122 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.362 -1.322 7.829 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.981 -2.031 8.534 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.658 -2.632 8.240 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.964 -2.985 8.593 1.00 0.00 C ATOM 0 H TRP A 59 82.684 2.257 9.351 1.00 0.00 H new ATOM 0 HA TRP A 59 83.125 3.867 7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.296 1.440 7.200 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.255 2.001 5.845 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.018 2.479 7.323 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.439 0.474 8.119 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.349 -1.061 7.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.992 -2.297 8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.872 -3.371 8.284 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.185 -3.993 8.911 1.00 0.00 H new ATOM 908 N LYS A 60 80.958 4.925 6.401 1.00 0.00 N ATOM 909 CA LYS A 60 79.744 5.674 6.105 1.00 0.00 C ATOM 910 C LYS A 60 79.794 6.186 4.671 1.00 0.00 C ATOM 911 O LYS A 60 80.558 5.678 3.854 1.00 0.00 O ATOM 912 CB LYS A 60 79.604 6.855 7.071 1.00 0.00 C ATOM 913 CG LYS A 60 79.436 6.336 8.500 1.00 0.00 C ATOM 914 CD LYS A 60 78.990 7.485 9.406 1.00 0.00 C ATOM 915 CE LYS A 60 80.055 8.584 9.400 1.00 0.00 C ATOM 916 NZ LYS A 60 79.765 9.550 8.303 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.756 5.164 5.813 1.00 0.00 H new ATOM 0 HA LYS A 60 78.884 5.016 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.484 7.495 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.745 7.465 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.700 5.533 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.376 5.918 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.037 7.886 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.833 7.121 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.066 9.100 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 60 81.044 8.146 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.482 9.452 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.824 9.353 7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.787 10.519 8.679 1.00 0.00 H new ATOM 930 N GLU A 61 78.983 7.192 4.369 1.00 0.00 N ATOM 931 CA GLU A 61 78.962 7.752 3.026 1.00 0.00 C ATOM 932 C GLU A 61 80.207 8.601 2.780 1.00 0.00 C ATOM 933 O GLU A 61 80.973 8.340 1.854 1.00 0.00 O ATOM 934 CB GLU A 61 77.711 8.612 2.837 1.00 0.00 C ATOM 935 CG GLU A 61 77.538 8.942 1.353 1.00 0.00 C ATOM 936 CD GLU A 61 76.401 9.942 1.170 1.00 0.00 C ATOM 937 OE1 GLU A 61 76.671 11.131 1.226 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.279 9.505 0.977 1.00 0.00 O1- ATOM 0 H GLU A 61 78.339 7.631 5.027 1.00 0.00 H new ATOM 0 HA GLU A 61 78.948 6.930 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.833 8.082 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.797 9.531 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.464 9.355 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.327 8.032 0.792 1.00 0.00 H new ATOM 945 N GLU A 62 80.403 9.616 3.616 1.00 0.00 N ATOM 946 CA GLU A 62 81.556 10.498 3.472 1.00 0.00 C ATOM 947 C GLU A 62 82.854 9.756 3.773 1.00 0.00 C ATOM 948 O GLU A 62 83.799 9.793 2.987 1.00 0.00 O ATOM 949 CB GLU A 62 81.419 11.693 4.418 1.00 0.00 C ATOM 950 CG GLU A 62 80.083 12.393 4.166 1.00 0.00 C ATOM 951 CD GLU A 62 79.870 13.495 5.198 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.833 14.169 5.524 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.746 13.650 5.647 1.00 0.00 O ATOM 0 H GLU A 62 79.785 9.847 4.394 1.00 0.00 H new ATOM 0 HA GLU A 62 81.589 10.848 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.477 11.359 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.242 12.390 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.068 12.816 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.269 11.671 4.220 1.00 0.00 H new ATOM 960 N THR A 63 82.895 9.080 4.913 1.00 0.00 N ATOM 961 CA THR A 63 84.085 8.334 5.298 1.00 0.00 C ATOM 962 C THR A 63 84.593 7.514 4.125 1.00 0.00 C ATOM 963 O THR A 63 85.800 7.386 3.917 1.00 0.00 O ATOM 964 CB THR A 63 83.763 7.407 6.467 1.00 0.00 C ATOM 965 OG1 THR A 63 82.703 6.540 6.101 1.00 0.00 O ATOM 966 CG2 THR A 63 83.346 8.241 7.672 1.00 0.00 C ATOM 0 H THR A 63 82.126 9.033 5.582 1.00 0.00 H new ATOM 0 HA THR A 63 84.858 9.041 5.600 1.00 0.00 H new ATOM 0 HB THR A 63 84.644 6.817 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.052 5.813 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.115 7.582 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.160 8.910 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.464 8.829 7.420 1.00 0.00 H new ATOM 974 N LEU A 64 83.663 6.962 3.358 1.00 0.00 N ATOM 975 CA LEU A 64 84.034 6.156 2.204 1.00 0.00 C ATOM 976 C LEU A 64 84.597 7.044 1.097 1.00 0.00 C ATOM 977 O LEU A 64 85.481 6.627 0.352 1.00 0.00 O ATOM 978 CB LEU A 64 82.819 5.382 1.676 1.00 0.00 C ATOM 979 CG LEU A 64 82.878 3.918 2.134 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.507 3.262 1.924 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.939 3.161 1.318 1.00 0.00 C ATOM 0 H LEU A 64 82.659 7.056 3.511 1.00 0.00 H new ATOM 0 HA LEU A 64 84.799 5.445 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.900 5.845 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.795 5.429 0.587 1.00 0.00 H new ATOM 0 HG LEU A 64 83.143 3.881 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.548 2.222 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.756 3.795 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.243 3.302 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.978 2.122 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.679 3.198 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.913 3.626 1.468 1.00 0.00 H new ATOM 993 N MET A 65 84.075 8.266 0.988 1.00 0.00 N ATOM 994 CA MET A 65 84.540 9.190 -0.044 1.00 0.00 C ATOM 995 C MET A 65 86.020 9.502 0.137 1.00 0.00 C ATOM 996 O MET A 65 86.824 9.281 -0.769 1.00 0.00 O ATOM 997 CB MET A 65 83.730 10.486 0.004 1.00 0.00 C ATOM 998 CG MET A 65 82.278 10.183 -0.361 1.00 0.00 C ATOM 999 SD MET A 65 81.246 11.620 0.020 1.00 0.00 S ATOM 1000 CE MET A 65 81.074 12.229 -1.672 1.00 0.00 C ATOM 0 H MET A 65 83.341 8.634 1.592 1.00 0.00 H new ATOM 0 HA MET A 65 84.400 8.714 -1.015 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.783 10.926 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.147 11.216 -0.690 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.202 9.938 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.927 9.313 0.193 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.432 13.110 -1.678 1.00 0.00 H new ATOM 0 HE2 MET A 65 82.056 12.493 -2.065 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.630 11.452 -2.295 1.00 0.00 H new ATOM 1010 N GLU A 66 86.380 10.006 1.311 1.00 0.00 N ATOM 1011 CA GLU A 66 87.774 10.327 1.587 1.00 0.00 C ATOM 1012 C GLU A 66 88.622 9.069 1.459 1.00 0.00 C ATOM 1013 O GLU A 66 89.792 9.125 1.082 1.00 0.00 O ATOM 1014 CB GLU A 66 87.911 10.902 2.998 1.00 0.00 C ATOM 1015 CG GLU A 66 87.173 12.239 3.080 1.00 0.00 C ATOM 1016 CD GLU A 66 87.895 13.285 2.238 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.043 13.568 2.536 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.287 13.789 1.307 1.00 0.00 O ATOM 0 H GLU A 66 85.736 10.199 2.078 1.00 0.00 H new ATOM 0 HA GLU A 66 88.118 11.070 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.501 10.204 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.964 11.040 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.148 12.120 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.117 12.570 4.117 1.00 0.00 H new ATOM 1025 N TYR A 67 88.011 7.934 1.772 1.00 0.00 N ATOM 1026 CA TYR A 67 88.695 6.651 1.688 1.00 0.00 C ATOM 1027 C TYR A 67 88.764 6.180 0.236 1.00 0.00 C ATOM 1028 O TYR A 67 89.662 5.431 -0.144 1.00 0.00 O ATOM 1029 CB TYR A 67 87.946 5.623 2.539 1.00 0.00 C ATOM 1030 CG TYR A 67 88.462 4.230 2.264 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.522 3.714 3.017 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.872 3.452 1.260 1.00 0.00 C ATOM 1033 CE1 TYR A 67 89.994 2.420 2.768 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.344 2.157 1.010 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.404 1.641 1.764 1.00 0.00 C ATOM 1036 OH TYR A 67 89.869 0.365 1.518 1.00 0.00 O ATOM 0 H TYR A 67 87.042 7.876 2.087 1.00 0.00 H new ATOM 0 HA TYR A 67 89.713 6.761 2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.067 5.860 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.879 5.671 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.977 4.315 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.053 3.850 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.813 2.022 3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 67 87.890 1.557 0.235 1.00 0.00 H new ATOM 0 HH TYR A 67 90.012 0.249 0.555 1.00 0.00 H new ATOM 1046 N LEU A 68 87.799 6.622 -0.567 1.00 0.00 N ATOM 1047 CA LEU A 68 87.741 6.236 -1.975 1.00 0.00 C ATOM 1048 C LEU A 68 88.644 7.127 -2.828 1.00 0.00 C ATOM 1049 O LEU A 68 88.762 6.925 -4.037 1.00 0.00 O ATOM 1050 CB LEU A 68 86.293 6.330 -2.481 1.00 0.00 C ATOM 1051 CG LEU A 68 85.575 4.984 -2.297 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.086 5.149 -2.611 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.169 3.934 -3.238 1.00 0.00 C ATOM 0 H LEU A 68 87.049 7.245 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 68 88.094 5.208 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.761 7.111 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.286 6.613 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 68 85.704 4.657 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.578 4.193 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.651 5.886 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 68 83.966 5.485 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.651 2.985 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.051 4.262 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.229 3.805 -3.017 1.00 0.00 H new ATOM 1065 N GLU A 69 89.284 8.106 -2.194 1.00 0.00 N ATOM 1066 CA GLU A 69 90.179 9.015 -2.908 1.00 0.00 C ATOM 1067 C GLU A 69 91.622 8.779 -2.470 1.00 0.00 C ATOM 1068 O GLU A 69 92.563 9.293 -3.075 1.00 0.00 O ATOM 1069 CB GLU A 69 89.760 10.471 -2.645 1.00 0.00 C ATOM 1070 CG GLU A 69 90.512 11.047 -1.435 1.00 0.00 C ATOM 1071 CD GLU A 69 91.874 11.590 -1.864 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.140 11.605 -3.054 1.00 0.00 O ATOM 1073 OE2 GLU A 69 92.632 11.985 -0.992 1.00 0.00 O1- ATOM 0 H GLU A 69 89.201 8.290 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 69 90.110 8.822 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.964 11.077 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.686 10.518 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.924 11.843 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.644 10.273 -0.679 1.00 0.00 H new ATOM 1080 N ASN A 70 91.778 7.988 -1.416 1.00 0.00 N ATOM 1081 CA ASN A 70 93.099 7.666 -0.888 1.00 0.00 C ATOM 1082 C ASN A 70 92.973 6.629 0.228 1.00 0.00 C ATOM 1083 O ASN A 70 93.296 6.897 1.386 1.00 0.00 O ATOM 1084 CB ASN A 70 93.776 8.934 -0.355 1.00 0.00 C ATOM 1085 CG ASN A 70 95.293 8.795 -0.437 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.980 9.723 -0.864 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.859 7.685 -0.051 1.00 0.00 N ATOM 0 H ASN A 70 91.005 7.557 -0.909 1.00 0.00 H new ATOM 0 HA ASN A 70 93.711 7.252 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.451 9.799 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.475 9.109 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.873 7.585 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.288 6.917 0.302 1.00 0.00 H new ATOM 1094 N PRO A 71 92.494 5.461 -0.108 1.00 0.00 N ATOM 1095 CA PRO A 71 92.293 4.347 0.865 1.00 0.00 C ATOM 1096 C PRO A 71 93.463 4.167 1.833 1.00 0.00 C ATOM 1097 O PRO A 71 93.266 3.834 3.002 1.00 0.00 O ATOM 1098 CB PRO A 71 92.145 3.116 -0.033 1.00 0.00 C ATOM 1099 CG PRO A 71 91.600 3.629 -1.326 1.00 0.00 C ATOM 1100 CD PRO A 71 92.090 5.073 -1.472 1.00 0.00 C ATOM 0 HA PRO A 71 91.436 4.534 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.104 2.620 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.473 2.383 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.945 3.018 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.511 3.588 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.926 5.141 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.303 5.723 -1.854 1.00 0.00 H new ATOM 1108 N LYS A 72 94.677 4.364 1.335 1.00 0.00 N ATOM 1109 CA LYS A 72 95.868 4.192 2.163 1.00 0.00 C ATOM 1110 C LYS A 72 96.068 5.361 3.124 1.00 0.00 C ATOM 1111 O LYS A 72 96.335 5.159 4.309 1.00 0.00 O ATOM 1112 CB LYS A 72 97.103 4.061 1.269 1.00 0.00 C ATOM 1113 CG LYS A 72 98.330 3.701 2.127 1.00 0.00 C ATOM 1114 CD LYS A 72 98.861 2.315 1.735 1.00 0.00 C ATOM 1115 CE LYS A 72 97.899 1.233 2.236 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.751 1.349 3.714 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.864 4.640 0.371 1.00 0.00 H new ATOM 0 HA LYS A 72 95.729 3.287 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.937 3.293 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.280 4.996 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.111 4.450 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.060 3.710 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.967 2.248 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.852 2.160 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.928 1.342 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.277 0.245 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.378 0.457 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.678 1.548 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.094 2.123 3.937 1.00 0.00 H new ATOM 1130 N LYS A 73 95.967 6.578 2.607 1.00 0.00 N ATOM 1131 CA LYS A 73 96.172 7.762 3.434 1.00 0.00 C ATOM 1132 C LYS A 73 95.093 7.900 4.505 1.00 0.00 C ATOM 1133 O LYS A 73 95.335 8.485 5.561 1.00 0.00 O ATOM 1134 CB LYS A 73 96.187 9.018 2.562 1.00 0.00 C ATOM 1135 CG LYS A 73 96.665 10.211 3.395 1.00 0.00 C ATOM 1136 CD LYS A 73 96.672 11.479 2.532 1.00 0.00 C ATOM 1137 CE LYS A 73 95.295 12.146 2.579 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.989 12.555 3.979 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.747 6.772 1.630 1.00 0.00 H new ATOM 0 HA LYS A 73 97.134 7.647 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.845 8.871 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.189 9.212 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.011 10.350 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.666 10.018 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.434 12.171 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.930 11.228 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.278 13.016 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.533 11.457 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.406 13.416 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.471 11.791 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.876 12.744 4.487 1.00 0.00 H new ATOM 1152 N TYR A 74 93.903 7.374 4.234 1.00 0.00 N ATOM 1153 CA TYR A 74 92.811 7.470 5.200 1.00 0.00 C ATOM 1154 C TYR A 74 93.124 6.637 6.443 1.00 0.00 C ATOM 1155 O TYR A 74 93.158 7.161 7.556 1.00 0.00 O ATOM 1156 CB TYR A 74 91.497 7.003 4.559 1.00 0.00 C ATOM 1157 CG TYR A 74 90.331 7.729 5.196 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.223 9.120 5.074 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.360 7.013 5.910 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.147 9.794 5.665 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.285 7.687 6.500 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.178 9.078 6.378 1.00 0.00 C ATOM 1163 OH TYR A 74 87.118 9.742 6.960 1.00 0.00 O ATOM 0 H TYR A 74 93.671 6.885 3.370 1.00 0.00 H new ATOM 0 HA TYR A 74 92.702 8.511 5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.516 7.196 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.381 5.927 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.970 9.673 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.442 5.940 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.065 10.867 5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.538 7.134 7.050 1.00 0.00 H new ATOM 0 HH TYR A 74 86.538 9.097 7.415 1.00 0.00 H new ATOM 1173 N ILE A 75 93.365 5.344 6.244 1.00 0.00 N ATOM 1174 CA ILE A 75 93.691 4.450 7.355 1.00 0.00 C ATOM 1175 C ILE A 75 95.022 3.744 7.093 1.00 0.00 C ATOM 1176 O ILE A 75 95.055 2.543 6.827 1.00 0.00 O ATOM 1177 CB ILE A 75 92.585 3.408 7.528 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.225 4.093 7.386 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.694 2.766 8.913 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.110 3.097 7.701 1.00 0.00 C ATOM 0 H ILE A 75 93.341 4.892 5.330 1.00 0.00 H new ATOM 0 HA ILE A 75 93.775 5.043 8.266 1.00 0.00 H new ATOM 0 HB ILE A 75 92.688 2.635 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.165 4.946 8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.106 4.479 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.905 2.024 9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.665 2.282 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.590 3.534 9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.143 3.589 7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.165 2.258 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.225 2.733 8.722 1.00 0.00 H new ATOM 1192 N PRO A 76 96.113 4.468 7.161 1.00 0.00 N ATOM 1193 CA PRO A 76 97.471 3.901 6.924 1.00 0.00 C ATOM 1194 C PRO A 76 97.641 2.524 7.558 1.00 0.00 C ATOM 1195 O PRO A 76 97.436 2.356 8.760 1.00 0.00 O ATOM 1196 CB PRO A 76 98.396 4.929 7.574 1.00 0.00 C ATOM 1197 CG PRO A 76 97.672 6.231 7.453 1.00 0.00 C ATOM 1198 CD PRO A 76 96.173 5.906 7.473 1.00 0.00 C ATOM 0 HA PRO A 76 97.677 3.742 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.591 4.681 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.362 4.966 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.934 6.897 8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.945 6.741 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.731 6.122 8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.627 6.497 6.737 1.00 0.00 H new ATOM 1206 N GLY A 77 98.013 1.543 6.741 1.00 0.00 N ATOM 1207 CA GLY A 77 98.204 0.179 7.226 1.00 0.00 C ATOM 1208 C GLY A 77 97.215 -0.769 6.560 1.00 0.00 C ATOM 1209 O GLY A 77 97.483 -1.963 6.417 1.00 0.00 O ATOM 0 H GLY A 77 98.188 1.666 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.224 -0.147 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.072 0.150 8.308 1.00 0.00 H new ATOM 1213 N THR A 78 96.072 -0.229 6.149 1.00 0.00 N ATOM 1214 CA THR A 78 95.049 -1.035 5.491 1.00 0.00 C ATOM 1215 C THR A 78 95.640 -1.748 4.283 1.00 0.00 C ATOM 1216 O THR A 78 96.446 -1.175 3.548 1.00 0.00 O ATOM 1217 CB THR A 78 93.892 -0.145 5.046 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.848 -0.955 4.520 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.384 0.818 3.970 1.00 0.00 C ATOM 0 H THR A 78 95.832 0.756 6.259 1.00 0.00 H new ATOM 0 HA THR A 78 94.680 -1.778 6.198 1.00 0.00 H new ATOM 0 HB THR A 78 93.515 0.422 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.103 -0.385 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.561 1.456 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.186 1.436 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.757 0.251 3.117 1.00 0.00 H new ATOM 1227 N LYS A 79 95.247 -3.002 4.081 1.00 0.00 N ATOM 1228 CA LYS A 79 95.764 -3.772 2.954 1.00 0.00 C ATOM 1229 C LYS A 79 94.902 -3.563 1.705 1.00 0.00 C ATOM 1230 O LYS A 79 93.937 -4.288 1.473 1.00 0.00 O ATOM 1231 CB LYS A 79 95.811 -5.265 3.322 1.00 0.00 C ATOM 1232 CG LYS A 79 97.085 -5.910 2.759 1.00 0.00 C ATOM 1233 CD LYS A 79 98.254 -5.670 3.721 1.00 0.00 C ATOM 1234 CE LYS A 79 99.510 -6.354 3.180 1.00 0.00 C ATOM 1235 NZ LYS A 79 100.680 -5.979 4.023 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.583 -3.501 4.673 1.00 0.00 H new ATOM 0 HA LYS A 79 96.772 -3.423 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.784 -5.381 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.932 -5.773 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.931 -6.980 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.315 -5.490 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.430 -4.601 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.011 -6.061 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.378 -7.436 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.683 -6.056 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 101.535 -6.443 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 100.809 -4.947 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.514 -6.284 5.003 1.00 0.00 H new ATOM 1249 N MET A 80 95.273 -2.572 0.898 1.00 0.00 N ATOM 1250 CA MET A 80 94.541 -2.282 -0.333 1.00 0.00 C ATOM 1251 C MET A 80 95.262 -1.207 -1.138 1.00 0.00 C ATOM 1252 O MET A 80 95.079 -0.013 -0.901 1.00 0.00 O ATOM 1253 CB MET A 80 93.116 -1.811 -0.017 1.00 0.00 C ATOM 1254 CG MET A 80 92.405 -1.435 -1.324 1.00 0.00 C ATOM 1255 SD MET A 80 90.650 -1.117 -1.004 1.00 0.00 S ATOM 1256 CE MET A 80 90.388 0.069 -2.346 1.00 0.00 C ATOM 0 H MET A 80 96.070 -1.960 1.072 1.00 0.00 H new ATOM 0 HA MET A 80 94.490 -3.199 -0.920 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.565 -2.599 0.496 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.145 -0.953 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.870 -0.551 -1.759 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.511 -2.241 -2.050 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.377 -0.042 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.521 1.082 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 80 91.108 -0.118 -3.142 1.00 0.00 H new ATOM 1266 N ILE A 81 96.075 -1.641 -2.095 1.00 0.00 N ATOM 1267 CA ILE A 81 96.818 -0.712 -2.942 1.00 0.00 C ATOM 1268 C ILE A 81 96.229 -0.710 -4.351 1.00 0.00 C ATOM 1269 O ILE A 81 96.523 -1.591 -5.159 1.00 0.00 O ATOM 1270 CB ILE A 81 98.298 -1.117 -2.992 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.986 -0.706 -1.684 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.991 -0.414 -4.165 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.361 -1.452 -0.500 1.00 0.00 C ATOM 0 H ILE A 81 96.237 -2.626 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 81 96.740 0.291 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 81 98.367 -2.197 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 81 100.052 -0.927 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.890 0.370 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 81 100.041 -0.706 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.508 -0.702 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.918 0.666 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.858 -1.152 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.300 -1.210 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.480 -2.526 -0.643 1.00 0.00 H new ATOM 1285 N PHE A 82 95.391 0.282 -4.635 1.00 0.00 N ATOM 1286 CA PHE A 82 94.759 0.388 -5.947 1.00 0.00 C ATOM 1287 C PHE A 82 94.568 1.851 -6.332 1.00 0.00 C ATOM 1288 O PHE A 82 94.868 2.753 -5.549 1.00 0.00 O ATOM 1289 CB PHE A 82 93.401 -0.319 -5.929 1.00 0.00 C ATOM 1290 CG PHE A 82 92.939 -0.567 -7.346 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.562 -1.551 -8.122 1.00 0.00 C ATOM 1292 CD2 PHE A 82 91.888 0.187 -7.883 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.136 -1.781 -9.435 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.461 -0.044 -9.196 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.085 -1.027 -9.972 1.00 0.00 C ATOM 0 H PHE A 82 95.134 1.020 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 82 95.407 -0.088 -6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.479 -1.264 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.669 0.291 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.372 -2.133 -7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.407 0.946 -7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.618 -2.540 -10.034 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.650 0.537 -9.610 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.756 -1.204 -10.985 1.00 0.00 H new ATOM 1305 N ALA A 83 94.067 2.081 -7.542 1.00 0.00 N ATOM 1306 CA ALA A 83 93.842 3.440 -8.018 1.00 0.00 C ATOM 1307 C ALA A 83 92.597 4.038 -7.369 1.00 0.00 C ATOM 1308 O ALA A 83 91.474 3.627 -7.664 1.00 0.00 O ATOM 1309 CB ALA A 83 93.674 3.440 -9.538 1.00 0.00 C ATOM 0 H ALA A 83 93.811 1.350 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 83 94.706 4.046 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.506 4.459 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.575 3.042 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.820 2.819 -9.810 1.00 0.00 H new ATOM 1315 N GLY A 84 92.802 5.013 -6.490 1.00 0.00 N ATOM 1316 CA GLY A 84 91.687 5.663 -5.815 1.00 0.00 C ATOM 1317 C GLY A 84 90.761 6.323 -6.829 1.00 0.00 C ATOM 1318 O GLY A 84 90.816 6.021 -8.021 1.00 0.00 O ATOM 0 H GLY A 84 93.722 5.368 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.132 4.930 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.063 6.411 -5.116 1.00 0.00 H new ATOM 1322 N ILE A 85 89.912 7.227 -6.351 1.00 0.00 N ATOM 1323 CA ILE A 85 88.980 7.928 -7.230 1.00 0.00 C ATOM 1324 C ILE A 85 89.465 9.354 -7.486 1.00 0.00 C ATOM 1325 O ILE A 85 90.278 9.884 -6.730 1.00 0.00 O ATOM 1326 CB ILE A 85 87.586 7.951 -6.598 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.037 6.515 -6.503 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.654 8.806 -7.453 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.318 6.131 -7.801 1.00 0.00 C ATOM 0 H ILE A 85 89.849 7.491 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 85 88.929 7.401 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 85 87.648 8.377 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.854 5.819 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.348 6.437 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.661 8.823 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.043 9.822 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.591 8.384 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.936 5.114 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.489 6.817 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.017 6.189 -8.635 1.00 0.00 H new ATOM 1341 N LYS A 86 88.979 9.963 -8.568 1.00 0.00 N ATOM 1342 CA LYS A 86 89.392 11.320 -8.923 1.00 0.00 C ATOM 1343 C LYS A 86 88.319 12.351 -8.564 1.00 0.00 C ATOM 1344 O LYS A 86 88.516 13.174 -7.670 1.00 0.00 O ATOM 1345 CB LYS A 86 89.689 11.389 -10.428 1.00 0.00 C ATOM 1346 CG LYS A 86 90.807 12.408 -10.694 1.00 0.00 C ATOM 1347 CD LYS A 86 92.177 11.741 -10.508 1.00 0.00 C ATOM 1348 CE LYS A 86 92.604 11.059 -11.811 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.167 12.076 -12.743 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.305 9.543 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 86 90.289 11.558 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.986 10.406 -10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.789 11.673 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.719 12.801 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.709 13.254 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.918 12.486 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.128 11.008 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.347 10.289 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.750 10.562 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.034 11.759 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.678 12.983 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 94.182 12.197 -12.553 1.00 0.00 H new ATOM 1363 N LYS A 87 87.197 12.319 -9.279 1.00 0.00 N ATOM 1364 CA LYS A 87 86.119 13.275 -9.037 1.00 0.00 C ATOM 1365 C LYS A 87 85.293 12.892 -7.811 1.00 0.00 C ATOM 1366 O LYS A 87 85.294 11.739 -7.380 1.00 0.00 O ATOM 1367 CB LYS A 87 85.206 13.348 -10.261 1.00 0.00 C ATOM 1368 CG LYS A 87 85.999 13.869 -11.462 1.00 0.00 C ATOM 1369 CD LYS A 87 85.115 13.840 -12.711 1.00 0.00 C ATOM 1370 CE LYS A 87 85.893 14.404 -13.900 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.054 14.319 -15.129 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.011 11.648 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 87 86.573 14.248 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.798 12.362 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.360 14.005 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.343 14.886 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.887 13.256 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.798 12.819 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.211 14.426 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.171 15.440 -13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.819 13.846 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.583 14.703 -15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.810 13.325 -15.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.182 14.870 -14.993 1.00 0.00 H new ATOM 1385 N LYS A 88 84.583 13.875 -7.260 1.00 0.00 N ATOM 1386 CA LYS A 88 83.748 13.637 -6.088 1.00 0.00 C ATOM 1387 C LYS A 88 82.527 12.806 -6.464 1.00 0.00 C ATOM 1388 O LYS A 88 82.096 11.941 -5.702 1.00 0.00 O ATOM 1389 CB LYS A 88 83.292 14.970 -5.486 1.00 0.00 C ATOM 1390 CG LYS A 88 82.684 14.724 -4.101 1.00 0.00 C ATOM 1391 CD LYS A 88 81.851 15.941 -3.675 1.00 0.00 C ATOM 1392 CE LYS A 88 80.418 15.794 -4.194 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.609 16.968 -3.758 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.570 14.835 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 88 84.337 13.090 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.137 15.654 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.558 15.444 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 88 82.057 13.832 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.475 14.541 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.847 16.029 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.298 16.855 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.419 15.723 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.975 14.873 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.635 16.869 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.598 17.016 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.028 17.840 -4.140 1.00 0.00 H new ATOM 1407 N THR A 89 81.970 13.071 -7.642 1.00 0.00 N ATOM 1408 CA THR A 89 80.800 12.331 -8.096 1.00 0.00 C ATOM 1409 C THR A 89 81.165 10.881 -8.372 1.00 0.00 C ATOM 1410 O THR A 89 80.305 10.002 -8.350 1.00 0.00 O ATOM 1411 CB THR A 89 80.228 12.958 -9.365 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.258 13.090 -10.334 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.646 14.336 -9.042 1.00 0.00 C ATOM 0 H THR A 89 82.305 13.783 -8.291 1.00 0.00 H new ATOM 0 HA THR A 89 80.048 12.370 -7.308 1.00 0.00 H new ATOM 0 HB THR A 89 79.439 12.319 -9.760 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.891 13.491 -11.149 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.239 14.781 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.853 14.232 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.431 14.979 -8.644 1.00 0.00 H new ATOM 1421 N GLU A 90 82.443 10.632 -8.630 1.00 0.00 N ATOM 1422 CA GLU A 90 82.893 9.275 -8.899 1.00 0.00 C ATOM 1423 C GLU A 90 82.787 8.437 -7.629 1.00 0.00 C ATOM 1424 O GLU A 90 82.318 7.300 -7.666 1.00 0.00 O ATOM 1425 CB GLU A 90 84.335 9.280 -9.415 1.00 0.00 C ATOM 1426 CG GLU A 90 84.351 9.641 -10.903 1.00 0.00 C ATOM 1427 CD GLU A 90 85.752 10.076 -11.320 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.623 10.100 -10.465 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.935 10.380 -12.487 1.00 0.00 O ATOM 0 H GLU A 90 83.176 11.341 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 90 82.257 8.838 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.931 9.998 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.789 8.300 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.036 8.783 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.639 10.443 -11.099 1.00 0.00 H new ATOM 1436 N ARG A 91 83.197 9.011 -6.494 1.00 0.00 N ATOM 1437 CA ARG A 91 83.101 8.290 -5.230 1.00 0.00 C ATOM 1438 C ARG A 91 81.651 8.290 -4.763 1.00 0.00 C ATOM 1439 O ARG A 91 81.122 7.258 -4.360 1.00 0.00 O ATOM 1440 CB ARG A 91 83.992 8.911 -4.136 1.00 0.00 C ATOM 1441 CG ARG A 91 84.702 10.161 -4.652 1.00 0.00 C ATOM 1442 CD ARG A 91 85.697 10.641 -3.592 1.00 0.00 C ATOM 1443 NE ARG A 91 86.084 12.024 -3.849 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.957 12.331 -4.804 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.486 11.389 -5.535 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.286 13.577 -5.010 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.589 9.950 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 91 83.451 7.272 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.384 9.166 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 91 84.730 8.180 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.222 9.941 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 91 83.976 10.944 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.250 10.560 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.580 10.002 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 91 85.677 12.770 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.230 10.415 -5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 91 88.155 11.627 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.874 14.315 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.956 13.813 -5.742 1.00 0.00 H new ATOM 1460 N GLU A 92 81.011 9.454 -4.828 1.00 0.00 N ATOM 1461 CA GLU A 92 79.617 9.568 -4.417 1.00 0.00 C ATOM 1462 C GLU A 92 78.770 8.544 -5.166 1.00 0.00 C ATOM 1463 O GLU A 92 78.053 7.751 -4.556 1.00 0.00 O ATOM 1464 CB GLU A 92 79.098 10.979 -4.709 1.00 0.00 C ATOM 1465 CG GLU A 92 77.841 11.247 -3.878 1.00 0.00 C ATOM 1466 CD GLU A 92 77.153 12.517 -4.365 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.776 13.257 -5.110 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.013 12.732 -3.988 1.00 0.00 O ATOM 0 H GLU A 92 81.431 10.323 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 92 79.548 9.377 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.866 11.716 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.873 11.082 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 92 77.158 10.401 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 78.106 11.348 -2.826 1.00 0.00 H new ATOM 1475 N ASP A 93 78.871 8.561 -6.493 1.00 0.00 N ATOM 1476 CA ASP A 93 78.122 7.619 -7.316 1.00 0.00 C ATOM 1477 C ASP A 93 78.525 6.189 -6.972 1.00 0.00 C ATOM 1478 O ASP A 93 77.674 5.328 -6.751 1.00 0.00 O ATOM 1479 CB ASP A 93 78.395 7.886 -8.798 1.00 0.00 C ATOM 1480 CG ASP A 93 77.816 9.239 -9.199 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.553 10.036 -8.313 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.644 9.460 -10.387 1.00 0.00 O1- ATOM 0 H ASP A 93 79.458 9.210 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 93 77.058 7.749 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.468 7.870 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.952 7.097 -9.406 1.00 0.00 H new ATOM 1487 N LEU A 94 79.832 5.950 -6.917 1.00 0.00 N ATOM 1488 CA LEU A 94 80.346 4.626 -6.587 1.00 0.00 C ATOM 1489 C LEU A 94 79.817 4.183 -5.235 1.00 0.00 C ATOM 1490 O LEU A 94 79.580 2.996 -5.003 1.00 0.00 O ATOM 1491 CB LEU A 94 81.875 4.659 -6.534 1.00 0.00 C ATOM 1492 CG LEU A 94 82.418 3.299 -6.094 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.881 2.204 -7.015 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.947 3.320 -6.160 1.00 0.00 C ATOM 0 H LEU A 94 80.550 6.652 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 94 80.018 3.925 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.275 4.918 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.205 5.432 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 94 82.098 3.095 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.271 1.237 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.792 2.190 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.196 2.403 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.338 2.352 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.264 3.526 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.329 4.097 -5.498 1.00 0.00 H new ATOM 1506 N ILE A 95 79.645 5.146 -4.340 1.00 0.00 N ATOM 1507 CA ILE A 95 79.156 4.850 -3.008 1.00 0.00 C ATOM 1508 C ILE A 95 77.654 4.607 -3.040 1.00 0.00 C ATOM 1509 O ILE A 95 77.127 3.825 -2.250 1.00 0.00 O ATOM 1510 CB ILE A 95 79.517 5.995 -2.050 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.989 5.829 -1.615 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.604 5.955 -0.816 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.698 7.187 -1.544 1.00 0.00 C ATOM 0 H ILE A 95 79.837 6.133 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 95 79.633 3.940 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 95 79.382 6.953 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.031 5.341 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.509 5.180 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.867 6.770 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.565 6.063 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.731 5.003 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.733 7.041 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.675 7.661 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.190 7.825 -0.821 1.00 0.00 H new ATOM 1525 N ALA A 96 76.973 5.259 -3.973 1.00 0.00 N ATOM 1526 CA ALA A 96 75.539 5.072 -4.108 1.00 0.00 C ATOM 1527 C ALA A 96 75.258 3.615 -4.450 1.00 0.00 C ATOM 1528 O ALA A 96 74.277 3.028 -3.990 1.00 0.00 O ATOM 1529 CB ALA A 96 74.989 5.981 -5.208 1.00 0.00 C ATOM 0 H ALA A 96 77.385 5.913 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 96 75.050 5.330 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.913 5.831 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.190 7.022 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.471 5.738 -6.155 1.00 0.00 H new ATOM 1535 N TYR A 97 76.149 3.032 -5.251 1.00 0.00 N ATOM 1536 CA TYR A 97 76.010 1.637 -5.643 1.00 0.00 C ATOM 1537 C TYR A 97 76.404 0.731 -4.482 1.00 0.00 C ATOM 1538 O TYR A 97 75.664 -0.179 -4.121 1.00 0.00 O ATOM 1539 CB TYR A 97 76.893 1.332 -6.857 1.00 0.00 C ATOM 1540 CG TYR A 97 76.961 -0.164 -7.067 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.894 -0.837 -7.677 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.089 -0.879 -6.648 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.956 -2.222 -7.866 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.151 -2.265 -6.839 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.085 -2.936 -7.447 1.00 0.00 C ATOM 1546 OH TYR A 97 77.145 -4.303 -7.634 1.00 0.00 O ATOM 0 H TYR A 97 76.968 3.503 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 97 74.969 1.453 -5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.488 1.817 -7.745 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.894 1.734 -6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.023 -0.286 -8.001 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.912 -0.362 -6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.133 -2.740 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.022 -2.816 -6.517 1.00 0.00 H new ATOM 0 HH TYR A 97 78.069 -4.567 -7.827 1.00 0.00 H new ATOM 1556 N LEU A 98 77.573 0.987 -3.898 1.00 0.00 N ATOM 1557 CA LEU A 98 78.044 0.184 -2.775 1.00 0.00 C ATOM 1558 C LEU A 98 76.962 0.090 -1.702 1.00 0.00 C ATOM 1559 O LEU A 98 76.950 -0.843 -0.900 1.00 0.00 O ATOM 1560 CB LEU A 98 79.309 0.813 -2.173 1.00 0.00 C ATOM 1561 CG LEU A 98 80.542 0.414 -3.001 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.641 1.468 -2.853 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.077 -0.925 -2.500 1.00 0.00 C ATOM 0 H LEU A 98 78.205 1.736 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 98 78.276 -0.818 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.211 1.898 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.432 0.485 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 98 80.252 0.337 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.509 1.174 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.271 2.431 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.927 1.551 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.951 -1.210 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.357 -0.835 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.305 -1.688 -2.606 1.00 0.00 H new ATOM 1575 N LYS A 99 76.057 1.064 -1.690 1.00 0.00 N ATOM 1576 CA LYS A 99 74.978 1.081 -0.707 1.00 0.00 C ATOM 1577 C LYS A 99 73.868 0.115 -1.107 1.00 0.00 C ATOM 1578 O LYS A 99 73.462 -0.738 -0.318 1.00 0.00 O ATOM 1579 CB LYS A 99 74.406 2.499 -0.579 1.00 0.00 C ATOM 1580 CG LYS A 99 75.275 3.328 0.376 1.00 0.00 C ATOM 1581 CD LYS A 99 74.548 4.626 0.741 1.00 0.00 C ATOM 1582 CE LYS A 99 74.514 5.559 -0.471 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.096 6.921 -0.037 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.048 1.846 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 99 75.386 0.766 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.370 2.976 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.382 2.455 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.490 2.755 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.232 3.556 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.533 4.405 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.053 5.115 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.497 5.601 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.821 5.175 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.609 7.401 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.452 6.844 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.935 7.471 0.237 1.00 0.00 H new ATOM 1597 N LYS A 100 73.376 0.254 -2.333 1.00 0.00 N ATOM 1598 CA LYS A 100 72.309 -0.615 -2.818 1.00 0.00 C ATOM 1599 C LYS A 100 72.856 -1.997 -3.163 1.00 0.00 C ATOM 1600 O LYS A 100 72.101 -2.960 -3.293 1.00 0.00 O ATOM 1601 CB LYS A 100 71.654 0.001 -4.055 1.00 0.00 C ATOM 1602 CG LYS A 100 71.050 1.359 -3.689 1.00 0.00 C ATOM 1603 CD LYS A 100 70.117 1.822 -4.809 1.00 0.00 C ATOM 1604 CE LYS A 100 69.714 3.278 -4.573 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.359 3.468 -3.138 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.695 0.953 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 100 71.565 -0.719 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.391 0.121 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.879 -0.663 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.500 1.283 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.842 2.092 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.614 1.724 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.230 1.189 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.533 3.942 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.866 3.539 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.735 4.295 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.868 2.621 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 70.225 3.621 -2.583 1.00 0.00 H new ATOM 1619 N ALA A 101 74.173 -2.083 -3.307 1.00 0.00 N ATOM 1620 CA ALA A 101 74.823 -3.348 -3.635 1.00 0.00 C ATOM 1621 C ALA A 101 75.120 -4.141 -2.369 1.00 0.00 C ATOM 1622 O ALA A 101 75.120 -5.372 -2.380 1.00 0.00 O ATOM 1623 CB ALA A 101 76.126 -3.085 -4.391 1.00 0.00 C ATOM 0 H ALA A 101 74.811 -1.294 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 101 74.149 -3.929 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.605 -4.034 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.909 -2.544 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.794 -2.489 -3.769 1.00 0.00 H new ATOM 1629 N THR A 102 75.370 -3.426 -1.275 1.00 0.00 N ATOM 1630 CA THR A 102 75.667 -4.073 -0.002 1.00 0.00 C ATOM 1631 C THR A 102 74.379 -4.318 0.768 1.00 0.00 C ATOM 1632 O THR A 102 74.379 -4.946 1.826 1.00 0.00 O ATOM 1633 CB THR A 102 76.604 -3.191 0.827 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.022 -1.905 0.987 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.951 -3.058 0.112 1.00 0.00 C ATOM 0 H THR A 102 75.373 -2.406 -1.245 1.00 0.00 H new ATOM 0 HA THR A 102 76.155 -5.028 -0.197 1.00 0.00 H new ATOM 0 HB THR A 102 76.759 -3.645 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.072 -1.416 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.617 -2.430 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.397 -4.045 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.800 -2.604 -0.868 1.00 0.00 H new ATOM 1643 N ASN A 103 73.280 -3.814 0.219 1.00 0.00 N ATOM 1644 CA ASN A 103 71.974 -3.973 0.843 1.00 0.00 C ATOM 1645 C ASN A 103 71.248 -5.174 0.247 1.00 0.00 C ATOM 1646 O ASN A 103 70.380 -5.769 0.886 1.00 0.00 O ATOM 1647 CB ASN A 103 71.146 -2.707 0.619 1.00 0.00 C ATOM 1648 CG ASN A 103 71.549 -1.633 1.620 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.732 -0.788 1.989 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.767 -1.612 2.082 1.00 0.00 N ATOM 0 H ASN A 103 73.268 -3.292 -0.657 1.00 0.00 H new ATOM 0 HA ASN A 103 72.108 -4.138 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.294 -2.342 -0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.085 -2.934 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.046 -0.895 2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.441 -2.313 1.775 1.00 0.00 H new ATOM 1657 N GLU A 104 71.612 -5.524 -0.983 1.00 0.00 N ATOM 1658 CA GLU A 104 70.992 -6.655 -1.666 1.00 0.00 C ATOM 1659 C GLU A 104 71.793 -7.932 -1.426 1.00 0.00 C ATOM 1660 O GLU A 104 71.240 -8.856 -0.855 1.00 0.00 O ATOM 1661 CB GLU A 104 70.914 -6.376 -3.168 1.00 0.00 C ATOM 1662 CG GLU A 104 70.067 -5.124 -3.412 1.00 0.00 C ATOM 1663 CD GLU A 104 68.585 -5.459 -3.272 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.122 -5.544 -2.145 1.00 0.00 O ATOM 1665 OE2 GLU A 104 67.936 -5.626 -4.290 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.948 -7.964 -1.817 1.00 0.00 O ATOM 0 H GLU A 104 72.330 -5.043 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 104 69.987 -6.790 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 104 71.915 -6.235 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.477 -7.230 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.341 -4.346 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.266 -4.729 -4.408 1.00 0.00 H new