USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 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 -79:sc= 0.787 USER MOD Set 1.2: A 103 ASN : amide:sc= -3.72 K(o=-2.9,f=-0.84) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.63 K(o=-0.63,f=-3.5!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 42 GLN : amide:sc= 0.552 K(o=1.7,f=-6.2!) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -148:sc= 1.11 (180deg=0) USER MOD Set 4.1: A 31 ASN : amide:sc= 0.163 K(o=-3.8,f=-13!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -3.94! C(o=-3.8!,f=-6.9!) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= 0.189 (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= -1.96! C(o=-2!,f=-3.4!) USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -3.64! (180deg=-4.69!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0347 USER MOD Single : A 16 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -0.0598 (180deg=-0.418) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.874 (180deg=-1.4) USER MOD Single : A 26 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-5.5!) 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 93:sc= -0.544 USER MOD Single : A 47 THR OG1 : rot 23:sc= 0.387 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.49 USER MOD Single : A 53 LYS NZ :NH3+ -145:sc= -0.292 (180deg=-1.4!) USER MOD Single : A 54 ASN : amide:sc= -10.7! C(o=-11!,f=-4.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 78:sc= -2.55! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 47:sc= 1.39 USER MOD Single : A 70 ASN : amide:sc= -7.31! K(o=-7.3!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.563 (180deg=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : 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 145:sc= 0 (180deg=-0.145) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc=-0.00883 (180deg=-0.173) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc=-0.00745 (180deg=-0.123) 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 143:sc= 0.14 USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 0.296 (180deg=0.295) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.390 8.316 -8.753 1.00 0.00 N ATOM 11 CA ASP A 2 73.913 7.547 -9.897 1.00 0.00 C ATOM 12 C ASP A 2 74.325 6.087 -9.776 1.00 0.00 C ATOM 13 O ASP A 2 75.347 5.672 -10.320 1.00 0.00 O ATOM 14 CB ASP A 2 74.478 8.130 -11.191 1.00 0.00 C ATOM 15 CG ASP A 2 73.834 9.483 -11.478 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.634 9.598 -11.287 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.551 10.384 -11.883 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.825 7.604 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.559 8.243 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.292 7.446 -12.019 1.00 0.00 H new ATOM 22 N VAL A 3 73.515 5.312 -9.066 1.00 0.00 N ATOM 23 CA VAL A 3 73.793 3.895 -8.884 1.00 0.00 C ATOM 24 C VAL A 3 74.165 3.253 -10.216 1.00 0.00 C ATOM 25 O VAL A 3 74.760 2.176 -10.252 1.00 0.00 O ATOM 26 CB VAL A 3 72.560 3.199 -8.301 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.338 3.515 -9.165 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.788 1.686 -8.279 1.00 0.00 C ATOM 0 H VAL A 3 72.664 5.640 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 3 74.631 3.786 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 3 72.391 3.556 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.461 3.019 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.173 4.592 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.509 3.159 -10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.910 1.192 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.959 1.329 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.658 1.458 -7.663 1.00 0.00 H new ATOM 38 N GLU A 4 73.811 3.922 -11.312 1.00 0.00 N ATOM 39 CA GLU A 4 74.116 3.397 -12.639 1.00 0.00 C ATOM 40 C GLU A 4 75.606 3.526 -12.940 1.00 0.00 C ATOM 41 O GLU A 4 76.286 2.531 -13.194 1.00 0.00 O ATOM 42 CB GLU A 4 73.312 4.153 -13.701 1.00 0.00 C ATOM 43 CG GLU A 4 71.821 4.128 -13.338 1.00 0.00 C ATOM 44 CD GLU A 4 71.485 5.295 -12.415 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.903 6.401 -12.713 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.812 5.064 -11.424 1.00 0.00 O ATOM 0 H GLU A 4 73.320 4.816 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 4 73.843 2.342 -12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.662 5.183 -13.770 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.465 3.698 -14.679 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.217 4.186 -14.244 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.574 3.185 -12.850 1.00 0.00 H new ATOM 53 N LYS A 5 76.112 4.754 -12.901 1.00 0.00 N ATOM 54 CA LYS A 5 77.524 4.984 -13.164 1.00 0.00 C ATOM 55 C LYS A 5 78.356 4.472 -12.000 1.00 0.00 C ATOM 56 O LYS A 5 79.548 4.202 -12.146 1.00 0.00 O ATOM 57 CB LYS A 5 77.787 6.478 -13.378 1.00 0.00 C ATOM 58 CG LYS A 5 77.323 6.883 -14.782 1.00 0.00 C ATOM 59 CD LYS A 5 77.291 8.413 -14.900 1.00 0.00 C ATOM 60 CE LYS A 5 75.940 8.946 -14.413 1.00 0.00 C ATOM 61 NZ LYS A 5 75.889 10.421 -14.616 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.572 5.594 -12.693 1.00 0.00 H new ATOM 0 HA LYS A 5 77.806 4.446 -14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.258 7.063 -12.626 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.849 6.692 -13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.996 6.466 -15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.332 6.473 -14.979 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.098 8.849 -14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.457 8.710 -15.936 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.128 8.464 -14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.801 8.708 -13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.426 10.868 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.856 10.792 -14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.349 10.634 -15.479 1.00 0.00 H new ATOM 75 N GLY A 6 77.714 4.316 -10.850 1.00 0.00 N ATOM 76 CA GLY A 6 78.404 3.804 -9.676 1.00 0.00 C ATOM 77 C GLY A 6 78.698 2.328 -9.877 1.00 0.00 C ATOM 78 O GLY A 6 79.732 1.817 -9.446 1.00 0.00 O ATOM 0 H GLY A 6 76.728 4.534 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.331 4.354 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.790 3.948 -8.787 1.00 0.00 H new ATOM 82 N LYS A 7 77.777 1.656 -10.559 1.00 0.00 N ATOM 83 CA LYS A 7 77.931 0.242 -10.847 1.00 0.00 C ATOM 84 C LYS A 7 79.070 0.034 -11.837 1.00 0.00 C ATOM 85 O LYS A 7 79.887 -0.868 -11.673 1.00 0.00 O ATOM 86 CB LYS A 7 76.631 -0.316 -11.436 1.00 0.00 C ATOM 87 CG LYS A 7 76.701 -1.850 -11.495 1.00 0.00 C ATOM 88 CD LYS A 7 75.938 -2.362 -12.725 1.00 0.00 C ATOM 89 CE LYS A 7 76.684 -1.971 -14.010 1.00 0.00 C ATOM 90 NZ LYS A 7 76.538 -3.062 -15.016 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.918 2.071 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 7 78.160 -0.283 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.782 -0.005 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.471 0.088 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.741 -2.174 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.274 -2.277 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.832 -3.446 -12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.931 -1.944 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.283 -1.038 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.738 -1.799 -13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.042 -2.800 -15.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.940 -3.942 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.530 -3.205 -15.229 1.00 0.00 H new ATOM 104 N LYS A 8 79.120 0.880 -12.864 1.00 0.00 N ATOM 105 CA LYS A 8 80.170 0.772 -13.870 1.00 0.00 C ATOM 106 C LYS A 8 81.548 0.918 -13.226 1.00 0.00 C ATOM 107 O LYS A 8 82.465 0.139 -13.500 1.00 0.00 O ATOM 108 CB LYS A 8 79.985 1.856 -14.937 1.00 0.00 C ATOM 109 CG LYS A 8 81.139 1.793 -15.953 1.00 0.00 C ATOM 110 CD LYS A 8 82.179 2.880 -15.641 1.00 0.00 C ATOM 111 CE LYS A 8 81.734 4.214 -16.247 1.00 0.00 C ATOM 112 NZ LYS A 8 82.803 5.231 -16.044 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.455 1.637 -13.019 1.00 0.00 H new ATOM 0 HA LYS A 8 80.102 -0.211 -14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.032 1.717 -15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.955 2.839 -14.468 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.609 0.810 -15.921 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.752 1.928 -16.963 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.299 2.982 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.150 2.593 -16.044 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.530 4.093 -17.311 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.807 4.547 -15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.502 6.138 -16.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.977 5.353 -15.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.677 4.913 -16.509 1.00 0.00 H new ATOM 126 N ILE A 9 81.685 1.925 -12.372 1.00 0.00 N ATOM 127 CA ILE A 9 82.950 2.178 -11.696 1.00 0.00 C ATOM 128 C ILE A 9 83.274 1.065 -10.707 1.00 0.00 C ATOM 129 O ILE A 9 84.430 0.868 -10.338 1.00 0.00 O ATOM 130 CB ILE A 9 82.875 3.512 -10.954 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.606 4.639 -11.955 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.200 3.773 -10.238 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.156 5.893 -11.202 1.00 0.00 C ATOM 0 H ILE A 9 80.938 2.577 -12.132 1.00 0.00 H new ATOM 0 HA ILE A 9 83.739 2.213 -12.447 1.00 0.00 H new ATOM 0 HB ILE A 9 82.068 3.475 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.507 4.851 -12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.838 4.333 -12.666 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.146 4.724 -9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.392 2.971 -9.525 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.008 3.809 -10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.964 6.696 -11.914 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.244 5.676 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.939 6.202 -10.509 1.00 0.00 H new ATOM 145 N PHE A 10 82.249 0.347 -10.269 1.00 0.00 N ATOM 146 CA PHE A 10 82.445 -0.734 -9.307 1.00 0.00 C ATOM 147 C PHE A 10 82.911 -2.019 -9.997 1.00 0.00 C ATOM 148 O PHE A 10 83.905 -2.619 -9.593 1.00 0.00 O ATOM 149 CB PHE A 10 81.137 -1.000 -8.550 1.00 0.00 C ATOM 150 CG PHE A 10 81.130 -2.419 -8.030 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.656 -3.456 -8.841 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.610 -2.699 -6.746 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.661 -4.774 -8.370 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.614 -4.017 -6.272 1.00 0.00 C ATOM 155 CZ PHE A 10 81.140 -5.055 -7.087 1.00 0.00 C ATOM 0 H PHE A 10 81.282 0.489 -10.560 1.00 0.00 H new ATOM 0 HA PHE A 10 83.221 -0.424 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.035 -0.298 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.284 -0.840 -9.210 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.286 -3.239 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.977 -1.899 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.295 -5.573 -8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.982 -4.234 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.145 -6.072 -6.723 1.00 0.00 H new ATOM 165 N VAL A 11 82.178 -2.443 -11.022 1.00 0.00 N ATOM 166 CA VAL A 11 82.520 -3.671 -11.738 1.00 0.00 C ATOM 167 C VAL A 11 83.947 -3.631 -12.255 1.00 0.00 C ATOM 168 O VAL A 11 84.600 -4.667 -12.384 1.00 0.00 O ATOM 169 CB VAL A 11 81.574 -3.879 -12.920 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.150 -4.068 -12.406 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.625 -2.658 -13.835 1.00 0.00 C ATOM 0 H VAL A 11 81.351 -1.961 -11.374 1.00 0.00 H new ATOM 0 HA VAL A 11 82.422 -4.496 -11.033 1.00 0.00 H new ATOM 0 HB VAL A 11 81.880 -4.764 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.475 -4.216 -13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.112 -4.940 -11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.844 -3.183 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.950 -2.807 -14.678 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.320 -1.773 -13.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.642 -2.522 -14.204 1.00 0.00 H new ATOM 181 N GLN A 12 84.419 -2.440 -12.584 1.00 0.00 N ATOM 182 CA GLN A 12 85.767 -2.299 -13.123 1.00 0.00 C ATOM 183 C GLN A 12 86.793 -1.947 -12.046 1.00 0.00 C ATOM 184 O GLN A 12 87.984 -2.199 -12.222 1.00 0.00 O ATOM 185 CB GLN A 12 85.777 -1.217 -14.201 1.00 0.00 C ATOM 186 CG GLN A 12 85.559 0.156 -13.562 1.00 0.00 C ATOM 187 CD GLN A 12 85.327 1.191 -14.654 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.019 2.347 -14.365 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.463 0.841 -15.903 1.00 0.00 N ATOM 0 H GLN A 12 83.900 -1.567 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 12 86.049 -3.264 -13.545 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.727 -1.232 -14.735 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.995 -1.415 -14.934 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.703 0.124 -12.888 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.426 0.432 -12.962 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.718 -0.118 -16.139 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.314 1.526 -16.644 1.00 0.00 H new ATOM 198 N LYS A 13 86.347 -1.328 -10.954 1.00 0.00 N ATOM 199 CA LYS A 13 87.280 -0.915 -9.901 1.00 0.00 C ATOM 200 C LYS A 13 87.300 -1.844 -8.677 1.00 0.00 C ATOM 201 O LYS A 13 88.338 -2.424 -8.360 1.00 0.00 O ATOM 202 CB LYS A 13 86.947 0.513 -9.455 1.00 0.00 C ATOM 203 CG LYS A 13 88.178 1.158 -8.807 1.00 0.00 C ATOM 204 CD LYS A 13 87.935 2.661 -8.615 1.00 0.00 C ATOM 205 CE LYS A 13 88.370 3.423 -9.869 1.00 0.00 C ATOM 206 NZ LYS A 13 88.153 4.883 -9.664 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.368 -1.104 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 13 88.277 -0.969 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.624 1.105 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.118 0.498 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.383 0.687 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.056 0.999 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.879 2.845 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.491 3.021 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.421 3.227 -10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.802 3.078 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.822 5.419 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.180 5.130 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.306 5.119 -8.663 1.00 0.00 H new ATOM 220 N CYS A 14 86.182 -1.936 -7.955 1.00 0.00 N ATOM 221 CA CYS A 14 86.142 -2.745 -6.726 1.00 0.00 C ATOM 222 C CYS A 14 85.880 -4.234 -6.970 1.00 0.00 C ATOM 223 O CYS A 14 86.421 -5.078 -6.257 1.00 0.00 O ATOM 224 CB CYS A 14 85.074 -2.195 -5.774 1.00 0.00 C ATOM 225 SG CYS A 14 84.997 -0.385 -5.897 1.00 0.00 S ATOM 0 H CYS A 14 85.305 -1.471 -8.190 1.00 0.00 H new ATOM 0 HA CYS A 14 87.136 -2.670 -6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.103 -2.625 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.304 -2.488 -4.750 1.00 0.00 H new ATOM 0 HG CYS A 14 84.086 0.067 -5.087 1.00 0.00 H new ATOM 230 N ALA A 15 85.047 -4.564 -7.942 1.00 0.00 N ATOM 231 CA ALA A 15 84.737 -5.968 -8.202 1.00 0.00 C ATOM 232 C ALA A 15 86.010 -6.809 -8.252 1.00 0.00 C ATOM 233 O ALA A 15 85.983 -8.008 -7.973 1.00 0.00 O ATOM 234 CB ALA A 15 83.978 -6.101 -9.523 1.00 0.00 C ATOM 0 H ALA A 15 84.579 -3.897 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 15 84.113 -6.334 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.751 -7.151 -9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.049 -5.534 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.592 -5.713 -10.336 1.00 0.00 H new ATOM 240 N GLN A 16 87.121 -6.180 -8.611 1.00 0.00 N ATOM 241 CA GLN A 16 88.394 -6.889 -8.698 1.00 0.00 C ATOM 242 C GLN A 16 88.641 -7.747 -7.456 1.00 0.00 C ATOM 243 O GLN A 16 88.761 -8.969 -7.557 1.00 0.00 O ATOM 244 CB GLN A 16 89.539 -5.891 -8.862 1.00 0.00 C ATOM 245 CG GLN A 16 89.415 -5.177 -10.212 1.00 0.00 C ATOM 246 CD GLN A 16 90.744 -4.531 -10.585 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.871 -3.307 -10.554 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.750 -5.285 -10.937 1.00 0.00 N ATOM 0 H GLN A 16 87.169 -5.188 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 16 88.350 -7.546 -9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.518 -5.162 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.496 -6.408 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.118 -5.888 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.634 -4.418 -10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.643 -6.299 -10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.643 -4.860 -11.187 1.00 0.00 H new ATOM 257 N CYS A 17 88.734 -7.106 -6.288 1.00 0.00 N ATOM 258 CA CYS A 17 88.989 -7.837 -5.042 1.00 0.00 C ATOM 259 C CYS A 17 87.876 -7.601 -4.014 1.00 0.00 C ATOM 260 O CYS A 17 88.150 -7.289 -2.855 1.00 0.00 O ATOM 261 CB CYS A 17 90.342 -7.406 -4.448 1.00 0.00 C ATOM 262 SG CYS A 17 91.366 -6.640 -5.735 1.00 0.00 S ATOM 0 H CYS A 17 88.638 -6.096 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 17 89.013 -8.901 -5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.183 -6.702 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.857 -8.270 -4.028 1.00 0.00 H new ATOM 0 HG CYS A 17 92.505 -6.277 -5.224 1.00 0.00 H new ATOM 267 N HIS A 18 86.622 -7.764 -4.434 1.00 0.00 N ATOM 268 CA HIS A 18 85.496 -7.573 -3.517 1.00 0.00 C ATOM 269 C HIS A 18 84.274 -8.366 -3.976 1.00 0.00 C ATOM 270 O HIS A 18 84.331 -9.105 -4.958 1.00 0.00 O ATOM 271 CB HIS A 18 85.130 -6.088 -3.420 1.00 0.00 C ATOM 272 CG HIS A 18 86.040 -5.399 -2.440 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.761 -5.339 -1.084 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.218 -4.723 -2.610 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.753 -4.645 -0.497 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.670 -4.244 -1.383 1.00 0.00 N ATOM 0 H HIS A 18 86.361 -8.023 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 18 85.803 -7.936 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.215 -5.619 -4.400 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.092 -5.980 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.722 -4.582 -3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.802 -4.437 0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.516 -3.705 -1.200 1.00 0.00 H new ATOM 284 N THR A 19 83.171 -8.203 -3.247 1.00 0.00 N ATOM 285 CA THR A 19 81.930 -8.903 -3.569 1.00 0.00 C ATOM 286 C THR A 19 80.729 -7.984 -3.336 1.00 0.00 C ATOM 287 O THR A 19 79.788 -7.959 -4.128 1.00 0.00 O ATOM 288 CB THR A 19 81.809 -10.156 -2.689 1.00 0.00 C ATOM 289 OG1 THR A 19 82.893 -10.185 -1.773 1.00 0.00 O ATOM 290 CG2 THR A 19 81.849 -11.417 -3.554 1.00 0.00 C ATOM 0 H THR A 19 83.112 -7.594 -2.431 1.00 0.00 H new ATOM 0 HA THR A 19 81.946 -9.196 -4.619 1.00 0.00 H new ATOM 0 HB THR A 19 80.862 -10.124 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.613 -10.636 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.762 -12.298 -2.918 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.021 -11.399 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.792 -11.455 -4.099 1.00 0.00 H new ATOM 298 N VAL A 20 80.780 -7.230 -2.242 1.00 0.00 N ATOM 299 CA VAL A 20 79.711 -6.300 -1.892 1.00 0.00 C ATOM 300 C VAL A 20 78.329 -6.923 -2.081 1.00 0.00 C ATOM 301 O VAL A 20 77.330 -6.210 -2.168 1.00 0.00 O ATOM 302 CB VAL A 20 79.828 -5.022 -2.728 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.259 -4.489 -2.643 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.492 -5.316 -4.190 1.00 0.00 C ATOM 0 H VAL A 20 81.555 -7.245 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 20 79.822 -6.055 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 20 79.129 -4.281 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.344 -3.579 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.504 -4.268 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.950 -5.239 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.579 -4.400 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.185 -6.062 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.473 -5.696 -4.260 1.00 0.00 H new ATOM 314 N GLU A 21 78.271 -8.252 -2.134 1.00 0.00 N ATOM 315 CA GLU A 21 76.992 -8.942 -2.301 1.00 0.00 C ATOM 316 C GLU A 21 76.570 -9.598 -0.989 1.00 0.00 C ATOM 317 O GLU A 21 77.247 -10.492 -0.480 1.00 0.00 O ATOM 318 CB GLU A 21 77.094 -9.998 -3.405 1.00 0.00 C ATOM 319 CG GLU A 21 78.424 -10.748 -3.290 1.00 0.00 C ATOM 320 CD GLU A 21 78.320 -12.098 -3.993 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.382 -12.824 -3.705 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 79.176 -12.386 -4.813 1.00 0.00 O ATOM 0 H GLU A 21 79.082 -8.866 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 21 76.239 -8.208 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.263 -10.699 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.018 -9.522 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 21 79.225 -10.157 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 78.680 -10.893 -2.241 1.00 0.00 H new ATOM 329 N LYS A 22 75.452 -9.137 -0.441 1.00 0.00 N ATOM 330 CA LYS A 22 74.946 -9.671 0.818 1.00 0.00 C ATOM 331 C LYS A 22 74.878 -11.195 0.786 1.00 0.00 C ATOM 332 O LYS A 22 74.257 -11.783 -0.100 1.00 0.00 O ATOM 333 CB LYS A 22 73.553 -9.105 1.098 1.00 0.00 C ATOM 334 CG LYS A 22 73.071 -9.581 2.474 1.00 0.00 C ATOM 335 CD LYS A 22 72.020 -8.608 3.014 1.00 0.00 C ATOM 336 CE LYS A 22 71.251 -9.269 4.158 1.00 0.00 C ATOM 337 NZ LYS A 22 70.345 -10.317 3.609 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.880 -8.397 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 22 75.633 -9.374 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.579 -8.016 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.856 -9.429 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.648 -10.583 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.913 -9.643 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.501 -7.695 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 22 71.333 -8.321 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.947 -9.712 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 22 70.673 -8.522 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.550 -10.466 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 69.980 -10.011 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 70.871 -11.207 3.496 1.00 0.00 H new ATOM 351 N GLY A 23 75.510 -11.826 1.771 1.00 0.00 N ATOM 352 CA GLY A 23 75.509 -13.282 1.868 1.00 0.00 C ATOM 353 C GLY A 23 76.263 -13.930 0.711 1.00 0.00 C ATOM 354 O GLY A 23 75.983 -15.072 0.345 1.00 0.00 O ATOM 0 H GLY A 23 76.028 -11.353 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.964 -13.583 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.481 -13.644 1.880 1.00 0.00 H new ATOM 358 N GLY A 24 77.220 -13.207 0.139 1.00 0.00 N ATOM 359 CA GLY A 24 77.999 -13.742 -0.971 1.00 0.00 C ATOM 360 C GLY A 24 79.198 -14.537 -0.469 1.00 0.00 C ATOM 361 O GLY A 24 79.067 -15.393 0.406 1.00 0.00 O ATOM 0 H GLY A 24 77.473 -12.260 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.367 -14.382 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.341 -12.925 -1.606 1.00 0.00 H new ATOM 365 N LYS A 25 80.367 -14.245 -1.031 1.00 0.00 N ATOM 366 CA LYS A 25 81.590 -14.938 -0.639 1.00 0.00 C ATOM 367 C LYS A 25 82.805 -14.035 -0.844 1.00 0.00 C ATOM 368 O LYS A 25 83.148 -13.686 -1.973 1.00 0.00 O ATOM 369 CB LYS A 25 81.747 -16.221 -1.464 1.00 0.00 C ATOM 370 CG LYS A 25 82.081 -15.869 -2.921 1.00 0.00 C ATOM 371 CD LYS A 25 81.603 -16.988 -3.862 1.00 0.00 C ATOM 372 CE LYS A 25 80.264 -16.597 -4.498 1.00 0.00 C ATOM 373 NZ LYS A 25 79.315 -16.162 -3.436 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.493 -13.538 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 25 81.523 -15.196 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.537 -16.841 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 80.827 -16.804 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.605 -14.927 -3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.156 -15.726 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.347 -17.165 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.494 -17.920 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.413 -15.793 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 25 79.849 -17.443 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.354 -16.109 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.331 -16.847 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.596 -15.225 -3.082 1.00 0.00 H new ATOM 387 N HIS A 26 83.448 -13.656 0.256 1.00 0.00 N ATOM 388 CA HIS A 26 84.620 -12.791 0.180 1.00 0.00 C ATOM 389 C HIS A 26 85.715 -13.441 -0.661 1.00 0.00 C ATOM 390 O HIS A 26 85.981 -14.636 -0.537 1.00 0.00 O ATOM 391 CB HIS A 26 85.151 -12.501 1.588 1.00 0.00 C ATOM 392 CG HIS A 26 84.945 -13.705 2.465 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.038 -15.000 1.979 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.649 -13.827 3.800 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.804 -15.837 3.007 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.560 -15.173 4.140 1.00 0.00 N ATOM 0 H HIS A 26 83.181 -13.931 1.201 1.00 0.00 H new ATOM 0 HA HIS A 26 84.326 -11.854 -0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.210 -12.249 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.636 -11.639 2.011 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.246 -15.270 1.017 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.507 -13.003 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.813 -16.914 2.926 1.00 0.00 H new ATOM 405 N LYS A 27 86.345 -12.642 -1.518 1.00 0.00 N ATOM 406 CA LYS A 27 87.413 -13.142 -2.380 1.00 0.00 C ATOM 407 C LYS A 27 88.526 -12.106 -2.497 1.00 0.00 C ATOM 408 O LYS A 27 88.270 -10.937 -2.786 1.00 0.00 O ATOM 409 CB LYS A 27 86.859 -13.456 -3.771 1.00 0.00 C ATOM 410 CG LYS A 27 85.945 -14.680 -3.692 1.00 0.00 C ATOM 411 CD LYS A 27 85.570 -15.135 -5.105 1.00 0.00 C ATOM 412 CE LYS A 27 84.673 -14.084 -5.768 1.00 0.00 C ATOM 413 NZ LYS A 27 83.972 -14.696 -6.931 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.136 -11.650 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 27 87.818 -14.052 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.305 -12.600 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.677 -13.644 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.448 -15.488 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 27 85.045 -14.438 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.471 -15.285 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.053 -16.094 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 27 83.946 -13.704 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.271 -13.234 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.363 -13.985 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.673 -15.038 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.390 -15.494 -6.605 1.00 0.00 H new ATOM 427 N THR A 28 89.760 -12.540 -2.270 1.00 0.00 N ATOM 428 CA THR A 28 90.902 -11.636 -2.350 1.00 0.00 C ATOM 429 C THR A 28 90.600 -10.336 -1.612 1.00 0.00 C ATOM 430 O THR A 28 91.143 -9.280 -1.939 1.00 0.00 O ATOM 431 CB THR A 28 91.226 -11.334 -3.816 1.00 0.00 C ATOM 432 OG1 THR A 28 91.074 -12.519 -4.585 1.00 0.00 O ATOM 433 CG2 THR A 28 92.667 -10.829 -3.936 1.00 0.00 C ATOM 0 H THR A 28 89.995 -13.503 -2.031 1.00 0.00 H new ATOM 0 HA THR A 28 91.762 -12.116 -1.882 1.00 0.00 H new ATOM 0 HB THR A 28 90.545 -10.567 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.279 -12.328 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.892 -10.616 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.784 -9.920 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.352 -11.592 -3.566 1.00 0.00 H new ATOM 441 N GLY A 29 89.729 -10.421 -0.614 1.00 0.00 N ATOM 442 CA GLY A 29 89.359 -9.249 0.169 1.00 0.00 C ATOM 443 C GLY A 29 88.060 -9.494 0.931 1.00 0.00 C ATOM 444 O GLY A 29 87.265 -10.358 0.558 1.00 0.00 O ATOM 0 H GLY A 29 89.268 -11.285 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.158 -9.008 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.243 -8.388 -0.489 1.00 0.00 H new ATOM 448 N PRO A 30 87.832 -8.756 1.986 1.00 0.00 N ATOM 449 CA PRO A 30 86.600 -8.897 2.816 1.00 0.00 C ATOM 450 C PRO A 30 85.364 -8.332 2.118 1.00 0.00 C ATOM 451 O PRO A 30 85.475 -7.614 1.123 1.00 0.00 O ATOM 452 CB PRO A 30 86.929 -8.101 4.082 1.00 0.00 C ATOM 453 CG PRO A 30 87.921 -7.073 3.645 1.00 0.00 C ATOM 454 CD PRO A 30 88.723 -7.704 2.505 1.00 0.00 C ATOM 0 HA PRO A 30 86.355 -9.940 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.036 -7.636 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.344 -8.746 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.418 -6.166 3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.575 -6.789 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.968 -6.972 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.666 -8.119 2.861 1.00 0.00 H new ATOM 462 N ASN A 31 84.191 -8.656 2.653 1.00 0.00 N ATOM 463 CA ASN A 31 82.938 -8.173 2.082 1.00 0.00 C ATOM 464 C ASN A 31 82.594 -6.804 2.660 1.00 0.00 C ATOM 465 O ASN A 31 83.128 -6.413 3.696 1.00 0.00 O ATOM 466 CB ASN A 31 81.810 -9.162 2.390 1.00 0.00 C ATOM 467 CG ASN A 31 81.379 -9.034 3.848 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.680 -8.086 4.209 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.756 -9.935 4.713 1.00 0.00 N ATOM 0 H ASN A 31 84.082 -9.248 3.477 1.00 0.00 H new ATOM 0 HA ASN A 31 83.053 -8.085 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.960 -8.971 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.145 -10.180 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.472 -9.855 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.335 -10.719 4.413 1.00 0.00 H new ATOM 476 N LEU A 32 81.699 -6.082 1.992 1.00 0.00 N ATOM 477 CA LEU A 32 81.290 -4.757 2.461 1.00 0.00 C ATOM 478 C LEU A 32 79.804 -4.750 2.815 1.00 0.00 C ATOM 479 O LEU A 32 79.102 -3.772 2.560 1.00 0.00 O ATOM 480 CB LEU A 32 81.551 -3.691 1.385 1.00 0.00 C ATOM 481 CG LEU A 32 82.981 -3.801 0.831 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.294 -2.557 -0.010 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.995 -3.894 1.980 1.00 0.00 C ATOM 0 H LEU A 32 81.245 -6.387 1.131 1.00 0.00 H new ATOM 0 HA LEU A 32 81.879 -4.524 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.833 -3.807 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.397 -2.698 1.808 1.00 0.00 H new ATOM 0 HG LEU A 32 83.053 -4.700 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.307 -2.630 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.586 -2.489 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.211 -1.666 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.002 -3.971 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.923 -3.002 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.780 -4.775 2.584 1.00 0.00 H new ATOM 495 N HIS A 33 79.331 -5.843 3.408 1.00 0.00 N ATOM 496 CA HIS A 33 77.926 -5.942 3.796 1.00 0.00 C ATOM 497 C HIS A 33 77.611 -4.942 4.903 1.00 0.00 C ATOM 498 O HIS A 33 78.441 -4.695 5.776 1.00 0.00 O ATOM 499 CB HIS A 33 77.615 -7.359 4.284 1.00 0.00 C ATOM 500 CG HIS A 33 77.940 -8.348 3.200 1.00 0.00 C ATOM 501 ND1 HIS A 33 77.901 -9.718 3.414 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.311 -8.184 1.888 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.239 -10.318 2.257 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.499 -9.429 1.296 1.00 0.00 N ATOM 0 H HIS A 33 79.893 -6.665 3.629 1.00 0.00 H new ATOM 0 HA HIS A 33 77.310 -5.716 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.195 -7.582 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.563 -7.437 4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.438 -7.233 1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.293 -11.388 2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.776 -9.621 0.333 1.00 0.00 H new ATOM 513 N GLY A 34 76.409 -4.365 4.862 1.00 0.00 N ATOM 514 CA GLY A 34 76.007 -3.387 5.873 1.00 0.00 C ATOM 515 C GLY A 34 77.197 -2.529 6.288 1.00 0.00 C ATOM 516 O GLY A 34 77.278 -2.058 7.422 1.00 0.00 O ATOM 0 H GLY A 34 75.705 -4.555 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.213 -2.752 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.601 -3.901 6.744 1.00 0.00 H new ATOM 520 N LEU A 35 78.122 -2.349 5.354 1.00 0.00 N ATOM 521 CA LEU A 35 79.325 -1.566 5.601 1.00 0.00 C ATOM 522 C LEU A 35 78.993 -0.253 6.307 1.00 0.00 C ATOM 523 O LEU A 35 79.509 0.039 7.384 1.00 0.00 O ATOM 524 CB LEU A 35 80.006 -1.273 4.257 1.00 0.00 C ATOM 525 CG LEU A 35 81.222 -0.353 4.454 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.468 -1.195 4.735 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.452 0.475 3.187 1.00 0.00 C ATOM 0 H LEU A 35 78.061 -2.738 4.413 1.00 0.00 H new ATOM 0 HA LEU A 35 79.991 -2.136 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.322 -2.207 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.295 -0.803 3.578 1.00 0.00 H new ATOM 0 HG LEU A 35 81.032 0.311 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.327 -0.539 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.312 -1.785 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.654 -1.862 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.314 1.126 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.636 -0.192 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.569 1.081 2.983 1.00 0.00 H new ATOM 539 N PHE A 36 78.144 0.541 5.683 1.00 0.00 N ATOM 540 CA PHE A 36 77.766 1.833 6.242 1.00 0.00 C ATOM 541 C PHE A 36 77.190 1.687 7.650 1.00 0.00 C ATOM 542 O PHE A 36 75.984 1.510 7.819 1.00 0.00 O ATOM 543 CB PHE A 36 76.740 2.514 5.328 1.00 0.00 C ATOM 544 CG PHE A 36 77.227 2.467 3.895 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.051 1.305 3.131 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.861 3.582 3.330 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.508 1.258 1.808 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.318 3.534 2.009 1.00 0.00 C ATOM 549 CZ PHE A 36 78.143 2.373 1.248 1.00 0.00 C ATOM 0 H PHE A 36 77.702 0.319 4.791 1.00 0.00 H new ATOM 0 HA PHE A 36 78.664 2.447 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.775 2.014 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.591 3.548 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.562 0.444 3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.997 4.479 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.371 0.362 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.807 4.394 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.498 2.337 0.229 1.00 0.00 H new ATOM 559 N GLY A 37 78.057 1.785 8.663 1.00 0.00 N ATOM 560 CA GLY A 37 77.607 1.684 10.051 1.00 0.00 C ATOM 561 C GLY A 37 78.587 0.910 10.935 1.00 0.00 C ATOM 562 O GLY A 37 78.663 1.153 12.139 1.00 0.00 O ATOM 0 H GLY A 37 79.060 1.932 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.470 2.686 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.634 1.193 10.078 1.00 0.00 H new ATOM 566 N ARG A 38 79.323 -0.032 10.349 1.00 0.00 N ATOM 567 CA ARG A 38 80.272 -0.834 11.128 1.00 0.00 C ATOM 568 C ARG A 38 81.636 -0.147 11.225 1.00 0.00 C ATOM 569 O ARG A 38 82.069 0.531 10.293 1.00 0.00 O ATOM 570 CB ARG A 38 80.444 -2.217 10.484 1.00 0.00 C ATOM 571 CG ARG A 38 79.585 -3.262 11.209 1.00 0.00 C ATOM 572 CD ARG A 38 79.989 -4.669 10.749 1.00 0.00 C ATOM 573 NE ARG A 38 79.335 -4.993 9.483 1.00 0.00 N ATOM 574 CZ ARG A 38 79.885 -5.835 8.609 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.035 -6.398 8.866 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.269 -6.103 7.491 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.285 -0.259 9.355 1.00 0.00 H new ATOM 0 HA ARG A 38 79.868 -0.942 12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.161 -2.172 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.493 -2.513 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.715 -3.170 12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.529 -3.089 10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.071 -4.725 10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.712 -5.401 11.508 1.00 0.00 H new ATOM 0 HE ARG A 38 78.436 -4.564 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.518 -6.194 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.450 -7.042 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.369 -5.668 7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.687 -6.747 6.820 1.00 0.00 H new ATOM 590 N LYS A 39 82.309 -0.342 12.359 1.00 0.00 N ATOM 591 CA LYS A 39 83.626 0.254 12.577 1.00 0.00 C ATOM 592 C LYS A 39 84.667 -0.386 11.657 1.00 0.00 C ATOM 593 O LYS A 39 84.398 -1.399 11.011 1.00 0.00 O ATOM 594 CB LYS A 39 84.045 0.078 14.045 1.00 0.00 C ATOM 595 CG LYS A 39 83.649 1.319 14.858 1.00 0.00 C ATOM 596 CD LYS A 39 84.723 2.406 14.715 1.00 0.00 C ATOM 597 CE LYS A 39 84.413 3.565 15.666 1.00 0.00 C ATOM 598 NZ LYS A 39 84.994 3.276 17.007 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.966 -0.905 13.137 1.00 0.00 H new ATOM 0 HA LYS A 39 83.567 1.318 12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.568 -0.808 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.122 -0.079 14.108 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.688 1.699 14.512 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.527 1.052 15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.706 1.992 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.756 2.765 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.826 4.494 15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.335 3.704 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.784 4.063 17.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.580 2.399 17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 86.024 3.164 16.922 1.00 0.00 H new ATOM 612 N THR A 40 85.854 0.216 11.600 1.00 0.00 N ATOM 613 CA THR A 40 86.925 -0.298 10.750 1.00 0.00 C ATOM 614 C THR A 40 87.401 -1.665 11.228 1.00 0.00 C ATOM 615 O THR A 40 87.425 -1.944 12.427 1.00 0.00 O ATOM 616 CB THR A 40 88.101 0.683 10.737 1.00 0.00 C ATOM 617 OG1 THR A 40 88.359 1.129 12.059 1.00 0.00 O ATOM 618 CG2 THR A 40 87.758 1.883 9.850 1.00 0.00 C ATOM 0 H THR A 40 86.097 1.054 12.128 1.00 0.00 H new ATOM 0 HA THR A 40 86.530 -0.407 9.740 1.00 0.00 H new ATOM 0 HB THR A 40 88.986 0.183 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.045 0.561 12.468 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.596 2.580 9.842 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.561 1.540 8.834 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.873 2.384 10.242 1.00 0.00 H new ATOM 626 N GLY A 41 87.784 -2.512 10.276 1.00 0.00 N ATOM 627 CA GLY A 41 88.265 -3.849 10.601 1.00 0.00 C ATOM 628 C GLY A 41 87.307 -4.560 11.546 1.00 0.00 C ATOM 629 O GLY A 41 87.714 -5.082 12.583 1.00 0.00 O ATOM 0 H GLY A 41 87.770 -2.297 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.378 -4.431 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.251 -3.783 11.060 1.00 0.00 H new ATOM 633 N GLN A 42 86.030 -4.573 11.180 1.00 0.00 N ATOM 634 CA GLN A 42 85.013 -5.221 12.005 1.00 0.00 C ATOM 635 C GLN A 42 84.632 -6.574 11.414 1.00 0.00 C ATOM 636 O GLN A 42 84.078 -7.430 12.104 1.00 0.00 O ATOM 637 CB GLN A 42 83.767 -4.329 12.098 1.00 0.00 C ATOM 638 CG GLN A 42 83.845 -3.452 13.349 1.00 0.00 C ATOM 639 CD GLN A 42 83.673 -4.307 14.601 1.00 0.00 C ATOM 640 OE1 GLN A 42 84.533 -4.299 15.482 1.00 0.00 O ATOM 641 NE2 GLN A 42 82.609 -5.051 14.731 1.00 0.00 N ATOM 0 H GLN A 42 85.675 -4.146 10.324 1.00 0.00 H new ATOM 0 HA GLN A 42 85.422 -5.375 13.004 1.00 0.00 H new ATOM 0 HB2 GLN A 42 83.690 -3.703 11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 42 82.869 -4.946 12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 42 84.804 -2.935 13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.071 -2.685 13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.898 -5.056 14.000 1.00 0.00 H new ATOM 0 HE22 GLN A 42 82.488 -5.628 15.564 1.00 0.00 H new ATOM 701 N THR A 47 91.741 -11.367 7.158 1.00 0.00 N ATOM 702 CA THR A 47 92.633 -10.946 8.235 1.00 0.00 C ATOM 703 C THR A 47 92.910 -9.449 8.143 1.00 0.00 C ATOM 704 O THR A 47 93.913 -9.026 7.569 1.00 0.00 O ATOM 705 CB THR A 47 93.952 -11.718 8.152 1.00 0.00 C ATOM 706 OG1 THR A 47 93.681 -13.092 7.908 1.00 0.00 O ATOM 707 CG2 THR A 47 94.716 -11.572 9.468 1.00 0.00 C ATOM 0 HA THR A 47 92.149 -11.157 9.188 1.00 0.00 H new ATOM 0 HB THR A 47 94.557 -11.317 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.798 -13.183 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.655 -12.122 9.407 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.925 -10.518 9.653 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.114 -11.971 10.284 1.00 0.00 H new ATOM 715 N TYR A 48 92.009 -8.656 8.709 1.00 0.00 N ATOM 716 CA TYR A 48 92.151 -7.204 8.688 1.00 0.00 C ATOM 717 C TYR A 48 93.461 -6.774 9.339 1.00 0.00 C ATOM 718 O TYR A 48 94.008 -7.477 10.187 1.00 0.00 O ATOM 719 CB TYR A 48 90.977 -6.561 9.431 1.00 0.00 C ATOM 720 CG TYR A 48 89.823 -6.376 8.483 1.00 0.00 C ATOM 721 CD1 TYR A 48 88.903 -7.410 8.286 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.670 -5.163 7.809 1.00 0.00 C ATOM 723 CE1 TYR A 48 87.828 -7.229 7.412 1.00 0.00 C ATOM 724 CE2 TYR A 48 88.596 -4.979 6.938 1.00 0.00 C ATOM 725 CZ TYR A 48 87.673 -6.013 6.738 1.00 0.00 C ATOM 726 OH TYR A 48 86.609 -5.827 5.881 1.00 0.00 O ATOM 0 H TYR A 48 91.173 -8.992 9.188 1.00 0.00 H new ATOM 0 HA TYR A 48 92.157 -6.875 7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.676 -7.189 10.269 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.278 -5.599 9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 48 89.023 -8.347 8.809 1.00 0.00 H new ATOM 0 HD2 TYR A 48 90.383 -4.367 7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 48 87.117 -8.027 7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 48 88.476 -4.040 6.418 1.00 0.00 H new ATOM 0 HH TYR A 48 86.652 -4.926 5.497 1.00 0.00 H new ATOM 736 N THR A 49 93.952 -5.606 8.936 1.00 0.00 N ATOM 737 CA THR A 49 95.193 -5.079 9.489 1.00 0.00 C ATOM 738 C THR A 49 94.942 -4.473 10.866 1.00 0.00 C ATOM 739 O THR A 49 93.794 -4.327 11.289 1.00 0.00 O ATOM 740 CB THR A 49 95.767 -4.011 8.554 1.00 0.00 C ATOM 741 OG1 THR A 49 94.814 -2.972 8.384 1.00 0.00 O ATOM 742 CG2 THR A 49 96.091 -4.637 7.194 1.00 0.00 C ATOM 0 H THR A 49 93.513 -5.011 8.234 1.00 0.00 H new ATOM 0 HA THR A 49 95.908 -5.896 9.586 1.00 0.00 H new ATOM 0 HB THR A 49 96.679 -3.602 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.243 -2.105 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.499 -3.875 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.823 -5.434 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.181 -5.049 6.757 1.00 0.00 H new ATOM 750 N ASP A 50 96.016 -4.121 11.561 1.00 0.00 N ATOM 751 CA ASP A 50 95.893 -3.531 12.889 1.00 0.00 C ATOM 752 C ASP A 50 95.307 -2.126 12.800 1.00 0.00 C ATOM 753 O ASP A 50 94.535 -1.710 13.663 1.00 0.00 O ATOM 754 CB ASP A 50 97.264 -3.476 13.568 1.00 0.00 C ATOM 755 CG ASP A 50 98.045 -4.751 13.270 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.687 -5.784 13.813 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.991 -4.678 12.503 1.00 0.00 O1- ATOM 0 H ASP A 50 96.975 -4.232 11.231 1.00 0.00 H new ATOM 0 HA ASP A 50 95.222 -4.154 13.481 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.820 -2.608 13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.141 -3.358 14.645 1.00 0.00 H new ATOM 762 N ALA A 51 95.676 -1.400 11.750 1.00 0.00 N ATOM 763 CA ALA A 51 95.180 -0.042 11.558 1.00 0.00 C ATOM 764 C ALA A 51 93.663 -0.037 11.405 1.00 0.00 C ATOM 765 O ALA A 51 92.986 0.867 11.891 1.00 0.00 O ATOM 766 CB ALA A 51 95.821 0.579 10.318 1.00 0.00 C ATOM 0 H ALA A 51 96.313 -1.726 11.023 1.00 0.00 H new ATOM 0 HA ALA A 51 95.445 0.545 12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.444 1.593 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.903 0.608 10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.573 -0.020 9.442 1.00 0.00 H new ATOM 772 N ASN A 52 93.134 -1.051 10.730 1.00 0.00 N ATOM 773 CA ASN A 52 91.693 -1.149 10.526 1.00 0.00 C ATOM 774 C ASN A 52 91.026 -1.731 11.769 1.00 0.00 C ATOM 775 O ASN A 52 89.863 -1.447 12.056 1.00 0.00 O ATOM 776 CB ASN A 52 91.396 -2.042 9.314 1.00 0.00 C ATOM 777 CG ASN A 52 91.170 -1.191 8.068 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.629 -0.051 8.002 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.485 -1.682 7.071 1.00 0.00 N ATOM 0 H ASN A 52 93.675 -1.811 10.318 1.00 0.00 H new ATOM 0 HA ASN A 52 91.295 -0.151 10.343 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.227 -2.728 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.514 -2.651 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.329 -1.120 6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.106 -2.627 7.129 1.00 0.00 H new ATOM 786 N LYS A 53 91.776 -2.541 12.503 1.00 0.00 N ATOM 787 CA LYS A 53 91.264 -3.161 13.714 1.00 0.00 C ATOM 788 C LYS A 53 91.401 -2.188 14.879 1.00 0.00 C ATOM 789 O LYS A 53 90.813 -2.385 15.942 1.00 0.00 O ATOM 790 CB LYS A 53 92.043 -4.460 13.985 1.00 0.00 C ATOM 791 CG LYS A 53 92.202 -4.694 15.491 1.00 0.00 C ATOM 792 CD LYS A 53 92.768 -6.099 15.737 1.00 0.00 C ATOM 793 CE LYS A 53 91.622 -7.108 15.835 1.00 0.00 C ATOM 794 NZ LYS A 53 90.730 -6.738 16.971 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.741 -2.783 12.280 1.00 0.00 H new ATOM 0 HA LYS A 53 90.209 -3.407 13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.520 -5.304 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.025 -4.405 13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.867 -3.943 15.918 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.239 -4.587 15.990 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.442 -6.377 14.926 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.354 -6.110 16.656 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.056 -7.123 14.904 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.019 -8.112 15.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 90.363 -7.601 17.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 91.268 -6.186 17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 89.936 -6.168 16.617 1.00 0.00 H new ATOM 808 N ASN A 54 92.178 -1.133 14.663 1.00 0.00 N ATOM 809 CA ASN A 54 92.387 -0.128 15.695 1.00 0.00 C ATOM 810 C ASN A 54 91.084 0.598 15.999 1.00 0.00 C ATOM 811 O ASN A 54 90.933 1.225 17.046 1.00 0.00 O ATOM 812 CB ASN A 54 93.436 0.878 15.221 1.00 0.00 C ATOM 813 CG ASN A 54 92.778 2.036 14.473 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.176 3.189 14.642 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.791 1.800 13.655 1.00 0.00 N ATOM 0 H ASN A 54 92.670 -0.953 13.788 1.00 0.00 H new ATOM 0 HA ASN A 54 92.734 -0.621 16.603 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.992 1.261 16.077 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.155 0.381 14.570 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.348 2.571 13.155 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.462 0.845 13.515 1.00 0.00 H new ATOM 822 N LYS A 55 90.150 0.500 15.068 1.00 0.00 N ATOM 823 CA LYS A 55 88.850 1.147 15.225 1.00 0.00 C ATOM 824 C LYS A 55 89.015 2.659 15.346 1.00 0.00 C ATOM 825 O LYS A 55 88.702 3.246 16.382 1.00 0.00 O ATOM 826 CB LYS A 55 88.140 0.608 16.474 1.00 0.00 C ATOM 827 CG LYS A 55 88.446 -0.885 16.644 1.00 0.00 C ATOM 828 CD LYS A 55 87.367 -1.541 17.516 1.00 0.00 C ATOM 829 CE LYS A 55 86.202 -2.009 16.639 1.00 0.00 C ATOM 830 NZ LYS A 55 85.118 -2.552 17.504 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.263 -0.019 14.197 1.00 0.00 H new ATOM 0 HA LYS A 55 88.249 0.926 14.343 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.468 1.158 17.356 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.064 0.760 16.386 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.484 -1.371 15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.426 -1.015 17.103 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.789 -2.388 18.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.010 -0.832 18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.825 -1.178 16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.542 -2.774 15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.621 -3.314 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.530 -2.928 18.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.445 -1.793 17.735 1.00 0.00 H new ATOM 844 N GLY A 56 89.512 3.284 14.285 1.00 0.00 N ATOM 845 CA GLY A 56 89.717 4.729 14.290 1.00 0.00 C ATOM 846 C GLY A 56 88.441 5.470 13.907 1.00 0.00 C ATOM 847 O GLY A 56 88.064 6.450 14.550 1.00 0.00 O ATOM 0 H GLY A 56 89.779 2.819 13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.043 5.049 15.280 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.514 4.988 13.593 1.00 0.00 H new ATOM 851 N ILE A 57 87.779 4.998 12.855 1.00 0.00 N ATOM 852 CA ILE A 57 86.544 5.627 12.395 1.00 0.00 C ATOM 853 C ILE A 57 85.563 4.569 11.903 1.00 0.00 C ATOM 854 O ILE A 57 85.913 3.395 11.787 1.00 0.00 O ATOM 855 CB ILE A 57 86.853 6.622 11.272 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.347 5.869 10.027 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.942 7.588 11.744 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.160 5.313 9.228 1.00 0.00 C ATOM 0 H ILE A 57 88.073 4.189 12.308 1.00 0.00 H new ATOM 0 HA ILE A 57 86.089 6.162 13.229 1.00 0.00 H new ATOM 0 HB ILE A 57 85.948 7.175 11.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.934 6.539 9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.006 5.054 10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.167 8.299 10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.593 8.127 12.625 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.842 7.027 11.994 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.529 4.783 8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.590 4.626 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.517 6.135 8.912 1.00 0.00 H new ATOM 870 N THR A 58 84.331 4.990 11.625 1.00 0.00 N ATOM 871 CA THR A 58 83.303 4.064 11.158 1.00 0.00 C ATOM 872 C THR A 58 82.970 4.301 9.691 1.00 0.00 C ATOM 873 O THR A 58 82.892 5.443 9.237 1.00 0.00 O ATOM 874 CB THR A 58 82.037 4.228 12.005 1.00 0.00 C ATOM 875 OG1 THR A 58 82.281 3.747 13.319 1.00 0.00 O ATOM 876 CG2 THR A 58 80.887 3.438 11.376 1.00 0.00 C ATOM 0 H THR A 58 84.022 5.958 11.714 1.00 0.00 H new ATOM 0 HA THR A 58 83.689 3.050 11.261 1.00 0.00 H new ATOM 0 HB THR A 58 81.766 5.283 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.472 3.853 13.862 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.989 3.558 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.698 3.810 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.154 2.382 11.328 1.00 0.00 H new ATOM 884 N TRP A 59 82.757 3.211 8.957 1.00 0.00 N ATOM 885 CA TRP A 59 82.415 3.318 7.547 1.00 0.00 C ATOM 886 C TRP A 59 81.086 4.047 7.391 1.00 0.00 C ATOM 887 O TRP A 59 80.124 3.765 8.107 1.00 0.00 O ATOM 888 CB TRP A 59 82.300 1.933 6.905 1.00 0.00 C ATOM 889 CG TRP A 59 83.419 1.043 7.354 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.717 1.408 7.445 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.361 -0.358 7.763 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.458 0.321 7.878 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.664 -0.787 8.095 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.314 -1.288 7.876 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.918 -2.089 8.528 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.566 -2.600 8.308 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.866 -2.998 8.634 1.00 0.00 C ATOM 0 H TRP A 59 82.815 2.257 9.312 1.00 0.00 H new ATOM 0 HA TRP A 59 83.208 3.875 7.049 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.343 1.483 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.318 2.028 5.819 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.112 2.387 7.217 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.468 0.337 8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.306 -0.991 7.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.924 -2.391 8.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.752 -3.305 8.389 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.055 -4.008 8.967 1.00 0.00 H new ATOM 908 N LYS A 60 81.037 4.979 6.450 1.00 0.00 N ATOM 909 CA LYS A 60 79.823 5.745 6.200 1.00 0.00 C ATOM 910 C LYS A 60 79.814 6.228 4.754 1.00 0.00 C ATOM 911 O LYS A 60 80.544 5.697 3.919 1.00 0.00 O ATOM 912 CB LYS A 60 79.751 6.941 7.154 1.00 0.00 C ATOM 913 CG LYS A 60 79.609 6.437 8.595 1.00 0.00 C ATOM 914 CD LYS A 60 79.183 7.590 9.511 1.00 0.00 C ATOM 915 CE LYS A 60 80.373 8.520 9.755 1.00 0.00 C ATOM 916 NZ LYS A 60 80.007 9.534 10.784 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.823 5.223 5.847 1.00 0.00 H new ATOM 0 HA LYS A 60 78.955 5.109 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.649 7.551 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.904 7.576 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.872 5.635 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.555 6.019 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.363 8.145 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.815 7.197 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.236 7.944 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.658 9.015 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.815 10.167 10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.195 10.091 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.755 9.053 11.671 1.00 0.00 H new ATOM 930 N GLU A 61 78.994 7.228 4.456 1.00 0.00 N ATOM 931 CA GLU A 61 78.925 7.749 3.098 1.00 0.00 C ATOM 932 C GLU A 61 80.137 8.629 2.800 1.00 0.00 C ATOM 933 O GLU A 61 80.900 8.359 1.873 1.00 0.00 O ATOM 934 CB GLU A 61 77.645 8.566 2.915 1.00 0.00 C ATOM 935 CG GLU A 61 77.596 9.133 1.495 1.00 0.00 C ATOM 936 CD GLU A 61 76.198 9.660 1.191 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.243 9.030 1.615 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.102 10.686 0.536 1.00 0.00 O ATOM 0 H GLU A 61 78.377 7.688 5.125 1.00 0.00 H new ATOM 0 HA GLU A 61 78.920 6.907 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.772 7.939 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.612 9.377 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.327 9.935 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.866 8.359 0.776 1.00 0.00 H new ATOM 945 N GLU A 62 80.311 9.677 3.597 1.00 0.00 N ATOM 946 CA GLU A 62 81.434 10.589 3.407 1.00 0.00 C ATOM 947 C GLU A 62 82.755 9.898 3.726 1.00 0.00 C ATOM 948 O GLU A 62 83.720 10.005 2.970 1.00 0.00 O ATOM 949 CB GLU A 62 81.267 11.818 4.303 1.00 0.00 C ATOM 950 CG GLU A 62 79.840 12.354 4.176 1.00 0.00 C ATOM 951 CD GLU A 62 79.754 13.756 4.770 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.508 14.610 4.333 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.936 13.955 5.653 1.00 0.00 O1- ATOM 0 H GLU A 62 79.695 9.916 4.374 1.00 0.00 H new ATOM 0 HA GLU A 62 81.448 10.900 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.477 11.556 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.983 12.589 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.543 12.376 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.146 11.689 4.690 1.00 0.00 H new ATOM 960 N THR A 63 82.794 9.187 4.844 1.00 0.00 N ATOM 961 CA THR A 63 84.007 8.484 5.238 1.00 0.00 C ATOM 962 C THR A 63 84.523 7.649 4.078 1.00 0.00 C ATOM 963 O THR A 63 85.730 7.553 3.853 1.00 0.00 O ATOM 964 CB THR A 63 83.720 7.574 6.431 1.00 0.00 C ATOM 965 OG1 THR A 63 82.688 6.663 6.088 1.00 0.00 O ATOM 966 CG2 THR A 63 83.280 8.421 7.619 1.00 0.00 C ATOM 0 H THR A 63 82.010 9.082 5.488 1.00 0.00 H new ATOM 0 HA THR A 63 84.762 9.218 5.518 1.00 0.00 H new ATOM 0 HB THR A 63 84.621 7.020 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.057 5.944 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.075 7.773 8.471 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.073 9.123 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.378 8.974 7.358 1.00 0.00 H new ATOM 974 N LEU A 64 83.597 7.051 3.339 1.00 0.00 N ATOM 975 CA LEU A 64 83.966 6.229 2.197 1.00 0.00 C ATOM 976 C LEU A 64 84.531 7.104 1.079 1.00 0.00 C ATOM 977 O LEU A 64 85.410 6.676 0.332 1.00 0.00 O ATOM 978 CB LEU A 64 82.743 5.457 1.679 1.00 0.00 C ATOM 979 CG LEU A 64 82.828 3.977 2.083 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.498 3.283 1.754 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.971 3.291 1.316 1.00 0.00 C ATOM 0 H LEU A 64 82.594 7.120 3.509 1.00 0.00 H new ATOM 0 HA LEU A 64 84.728 5.517 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.831 5.898 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.686 5.541 0.594 1.00 0.00 H new ATOM 0 HG LEU A 64 83.023 3.905 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.555 2.233 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.690 3.765 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.303 3.358 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.026 2.242 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.784 3.361 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.914 3.783 1.552 1.00 0.00 H new ATOM 993 N MET A 65 84.014 8.327 0.962 1.00 0.00 N ATOM 994 CA MET A 65 84.478 9.238 -0.083 1.00 0.00 C ATOM 995 C MET A 65 85.958 9.563 0.085 1.00 0.00 C ATOM 996 O MET A 65 86.757 9.334 -0.825 1.00 0.00 O ATOM 997 CB MET A 65 83.667 10.535 -0.059 1.00 0.00 C ATOM 998 CG MET A 65 82.206 10.223 -0.378 1.00 0.00 C ATOM 999 SD MET A 65 81.194 11.691 -0.064 1.00 0.00 S ATOM 1000 CE MET A 65 80.879 12.124 -1.788 1.00 0.00 C ATOM 0 H MET A 65 83.285 8.705 1.567 1.00 0.00 H new ATOM 0 HA MET A 65 84.337 8.739 -1.042 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.744 11.008 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.067 11.241 -0.786 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.107 9.916 -1.419 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.859 9.391 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.259 13.020 -1.831 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.826 12.313 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.362 11.301 -2.281 1.00 0.00 H new ATOM 1010 N GLU A 66 86.325 10.093 1.246 1.00 0.00 N ATOM 1011 CA GLU A 66 87.721 10.432 1.500 1.00 0.00 C ATOM 1012 C GLU A 66 88.576 9.175 1.426 1.00 0.00 C ATOM 1013 O GLU A 66 89.749 9.223 1.059 1.00 0.00 O ATOM 1014 CB GLU A 66 87.870 11.078 2.879 1.00 0.00 C ATOM 1015 CG GLU A 66 87.103 12.407 2.919 1.00 0.00 C ATOM 1016 CD GLU A 66 87.732 13.346 3.943 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.820 13.831 3.683 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.116 13.565 4.974 1.00 0.00 O1- ATOM 0 H GLU A 66 85.687 10.295 2.016 1.00 0.00 H new ATOM 0 HA GLU A 66 88.053 11.142 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.490 10.406 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.924 11.250 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.114 12.872 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.059 12.225 3.174 1.00 0.00 H new ATOM 1025 N TYR A 67 87.967 8.048 1.769 1.00 0.00 N ATOM 1026 CA TYR A 67 88.660 6.768 1.733 1.00 0.00 C ATOM 1027 C TYR A 67 88.743 6.257 0.297 1.00 0.00 C ATOM 1028 O TYR A 67 89.644 5.494 -0.053 1.00 0.00 O ATOM 1029 CB TYR A 67 87.908 5.761 2.609 1.00 0.00 C ATOM 1030 CG TYR A 67 88.398 4.357 2.339 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.827 3.606 1.304 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.413 3.803 3.128 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.273 2.302 1.057 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.858 2.499 2.881 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.289 1.749 1.846 1.00 0.00 C ATOM 1036 OH TYR A 67 89.727 0.463 1.603 1.00 0.00 O ATOM 0 H TYR A 67 86.995 7.994 2.075 1.00 0.00 H new ATOM 0 HA TYR A 67 89.673 6.893 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.051 6.007 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.838 5.824 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.043 4.033 0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.853 4.382 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.834 1.723 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.641 2.072 3.490 1.00 0.00 H new ATOM 0 HH TYR A 67 89.878 0.345 0.642 1.00 0.00 H new ATOM 1046 N LEU A 68 87.786 6.679 -0.524 1.00 0.00 N ATOM 1047 CA LEU A 68 87.736 6.254 -1.920 1.00 0.00 C ATOM 1048 C LEU A 68 88.716 7.057 -2.778 1.00 0.00 C ATOM 1049 O LEU A 68 89.026 6.666 -3.903 1.00 0.00 O ATOM 1050 CB LEU A 68 86.307 6.428 -2.460 1.00 0.00 C ATOM 1051 CG LEU A 68 85.496 5.142 -2.247 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.051 5.370 -2.682 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.081 4.000 -3.076 1.00 0.00 C ATOM 0 H LEU A 68 87.036 7.313 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 68 88.024 5.204 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.819 7.261 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.340 6.674 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 68 85.535 4.880 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.477 4.456 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.615 6.175 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.027 5.642 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.495 3.095 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.053 4.266 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.113 3.823 -2.774 1.00 0.00 H new ATOM 1065 N GLU A 69 89.204 8.174 -2.246 1.00 0.00 N ATOM 1066 CA GLU A 69 90.150 9.013 -2.983 1.00 0.00 C ATOM 1067 C GLU A 69 91.571 8.776 -2.481 1.00 0.00 C ATOM 1068 O GLU A 69 92.541 9.255 -3.071 1.00 0.00 O ATOM 1069 CB GLU A 69 89.775 10.492 -2.824 1.00 0.00 C ATOM 1070 CG GLU A 69 90.479 11.092 -1.601 1.00 0.00 C ATOM 1071 CD GLU A 69 89.787 12.385 -1.182 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.341 13.107 -2.060 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 89.713 12.635 0.010 1.00 0.00 O ATOM 0 H GLU A 69 88.964 8.519 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 69 90.104 8.747 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.056 11.044 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.695 10.590 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.465 10.379 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.525 11.289 -1.834 1.00 0.00 H new ATOM 1080 N ASN A 70 91.680 8.035 -1.388 1.00 0.00 N ATOM 1081 CA ASN A 70 92.981 7.732 -0.800 1.00 0.00 C ATOM 1082 C ASN A 70 92.828 6.701 0.318 1.00 0.00 C ATOM 1083 O ASN A 70 93.084 6.987 1.487 1.00 0.00 O ATOM 1084 CB ASN A 70 93.615 9.017 -0.253 1.00 0.00 C ATOM 1085 CG ASN A 70 95.137 8.921 -0.309 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.805 9.872 -0.715 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.728 7.823 0.075 1.00 0.00 N ATOM 0 H ASN A 70 90.886 7.632 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 70 93.631 7.315 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.276 9.874 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.292 9.181 0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.745 7.752 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.173 7.036 0.411 1.00 0.00 H new ATOM 1094 N PRO A 71 92.405 5.516 -0.032 1.00 0.00 N ATOM 1095 CA PRO A 71 92.193 4.402 0.940 1.00 0.00 C ATOM 1096 C PRO A 71 93.359 4.222 1.912 1.00 0.00 C ATOM 1097 O PRO A 71 93.158 3.885 3.079 1.00 0.00 O ATOM 1098 CB PRO A 71 92.045 3.168 0.044 1.00 0.00 C ATOM 1099 CG PRO A 71 91.551 3.683 -1.268 1.00 0.00 C ATOM 1100 CD PRO A 71 92.081 5.110 -1.410 1.00 0.00 C ATOM 0 HA PRO A 71 91.331 4.591 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.997 2.650 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.344 2.453 0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.904 3.056 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.462 3.670 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.961 5.146 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.335 5.769 -1.854 1.00 0.00 H new ATOM 1108 N LYS A 72 94.575 4.424 1.420 1.00 0.00 N ATOM 1109 CA LYS A 72 95.764 4.252 2.250 1.00 0.00 C ATOM 1110 C LYS A 72 95.954 5.412 3.224 1.00 0.00 C ATOM 1111 O LYS A 72 96.217 5.201 4.408 1.00 0.00 O ATOM 1112 CB LYS A 72 97.002 4.137 1.356 1.00 0.00 C ATOM 1113 CG LYS A 72 98.239 3.813 2.216 1.00 0.00 C ATOM 1114 CD LYS A 72 98.819 2.451 1.814 1.00 0.00 C ATOM 1115 CE LYS A 72 97.907 1.331 2.322 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.836 1.386 3.809 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.765 4.705 0.458 1.00 0.00 H new ATOM 0 HA LYS A 72 95.629 3.341 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.852 3.357 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.159 5.070 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.993 4.590 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.966 3.803 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.915 2.391 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.820 2.334 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.910 1.438 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.289 0.362 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.517 0.466 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.777 1.605 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.164 2.125 4.097 1.00 0.00 H new ATOM 1130 N LYS A 73 95.846 6.635 2.718 1.00 0.00 N ATOM 1131 CA LYS A 73 96.038 7.814 3.556 1.00 0.00 C ATOM 1132 C LYS A 73 94.979 7.911 4.652 1.00 0.00 C ATOM 1133 O LYS A 73 95.249 8.427 5.736 1.00 0.00 O ATOM 1134 CB LYS A 73 96.003 9.081 2.700 1.00 0.00 C ATOM 1135 CG LYS A 73 96.383 10.288 3.564 1.00 0.00 C ATOM 1136 CD LYS A 73 96.402 11.556 2.701 1.00 0.00 C ATOM 1137 CE LYS A 73 94.985 12.132 2.592 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.030 13.418 1.841 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.629 6.836 1.742 1.00 0.00 H new ATOM 0 HA LYS A 73 97.013 7.718 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.694 8.987 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.008 9.221 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.669 10.402 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.362 10.130 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.072 12.295 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.788 11.325 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.331 11.424 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.569 12.293 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.070 13.810 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.641 14.093 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.411 13.250 0.888 1.00 0.00 H new ATOM 1152 N TYR A 74 93.772 7.430 4.369 1.00 0.00 N ATOM 1153 CA TYR A 74 92.697 7.495 5.355 1.00 0.00 C ATOM 1154 C TYR A 74 93.031 6.638 6.575 1.00 0.00 C ATOM 1155 O TYR A 74 93.075 7.136 7.700 1.00 0.00 O ATOM 1156 CB TYR A 74 91.378 7.021 4.726 1.00 0.00 C ATOM 1157 CG TYR A 74 90.223 7.815 5.299 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.158 9.199 5.097 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.220 7.169 6.031 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.092 9.936 5.626 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.153 7.906 6.561 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.090 9.289 6.358 1.00 0.00 C ATOM 1163 OH TYR A 74 87.039 10.014 6.881 1.00 0.00 O ATOM 0 H TYR A 74 93.516 6.998 3.481 1.00 0.00 H new ATOM 0 HA TYR A 74 92.588 8.530 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.415 7.145 3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.233 5.958 4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.931 9.699 4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.269 6.101 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.043 11.003 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.380 7.407 7.126 1.00 0.00 H new ATOM 0 HH TYR A 74 86.432 9.412 7.360 1.00 0.00 H new ATOM 1173 N ILE A 75 93.270 5.352 6.344 1.00 0.00 N ATOM 1174 CA ILE A 75 93.607 4.431 7.428 1.00 0.00 C ATOM 1175 C ILE A 75 94.858 3.635 7.070 1.00 0.00 C ATOM 1176 O ILE A 75 94.785 2.437 6.798 1.00 0.00 O ATOM 1177 CB ILE A 75 92.445 3.466 7.682 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.146 4.261 7.862 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.720 2.653 8.951 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.947 3.320 7.725 1.00 0.00 C ATOM 0 H ILE A 75 93.237 4.923 5.419 1.00 0.00 H new ATOM 0 HA ILE A 75 93.795 5.012 8.331 1.00 0.00 H new ATOM 0 HB ILE A 75 92.346 2.792 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.134 4.742 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.086 5.054 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.892 1.967 9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.642 2.085 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.822 3.328 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.024 3.886 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.957 2.860 6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.005 2.543 8.487 1.00 0.00 H new ATOM 1192 N PRO A 76 95.997 4.278 7.062 1.00 0.00 N ATOM 1193 CA PRO A 76 97.288 3.620 6.727 1.00 0.00 C ATOM 1194 C PRO A 76 97.385 2.218 7.320 1.00 0.00 C ATOM 1195 O PRO A 76 96.671 1.887 8.264 1.00 0.00 O ATOM 1196 CB PRO A 76 98.326 4.560 7.337 1.00 0.00 C ATOM 1197 CG PRO A 76 97.698 5.916 7.273 1.00 0.00 C ATOM 1198 CD PRO A 76 96.182 5.705 7.378 1.00 0.00 C ATOM 0 HA PRO A 76 97.420 3.473 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.558 4.280 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.262 4.531 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.058 6.548 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.955 6.418 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.814 5.944 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.641 6.342 6.678 1.00 0.00 H new ATOM 1206 N GLY A 77 98.262 1.397 6.756 1.00 0.00 N ATOM 1207 CA GLY A 77 98.430 0.032 7.238 1.00 0.00 C ATOM 1208 C GLY A 77 97.404 -0.896 6.595 1.00 0.00 C ATOM 1209 O GLY A 77 97.657 -2.086 6.414 1.00 0.00 O ATOM 0 H GLY A 77 98.863 1.649 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.437 -0.318 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.321 0.008 8.322 1.00 0.00 H new ATOM 1213 N THR A 78 96.247 -0.338 6.245 1.00 0.00 N ATOM 1214 CA THR A 78 95.194 -1.124 5.614 1.00 0.00 C ATOM 1215 C THR A 78 95.731 -1.812 4.366 1.00 0.00 C ATOM 1216 O THR A 78 96.570 -1.257 3.658 1.00 0.00 O ATOM 1217 CB THR A 78 94.021 -0.219 5.236 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.953 -1.012 4.737 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.473 0.767 4.164 1.00 0.00 C ATOM 0 H THR A 78 96.018 0.646 6.387 1.00 0.00 H new ATOM 0 HA THR A 78 94.851 -1.881 6.320 1.00 0.00 H new ATOM 0 HB THR A 78 93.681 0.329 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.200 -0.433 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.640 1.415 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.293 1.373 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.810 0.219 3.284 1.00 0.00 H new ATOM 1227 N LYS A 79 95.255 -3.024 4.102 1.00 0.00 N ATOM 1228 CA LYS A 79 95.717 -3.767 2.933 1.00 0.00 C ATOM 1229 C LYS A 79 94.815 -3.509 1.726 1.00 0.00 C ATOM 1230 O LYS A 79 93.827 -4.209 1.511 1.00 0.00 O ATOM 1231 CB LYS A 79 95.764 -5.270 3.248 1.00 0.00 C ATOM 1232 CG LYS A 79 96.992 -5.904 2.581 1.00 0.00 C ATOM 1233 CD LYS A 79 98.245 -5.637 3.431 1.00 0.00 C ATOM 1234 CE LYS A 79 98.499 -6.819 4.373 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.240 -7.886 3.641 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.560 -3.508 4.671 1.00 0.00 H new ATOM 0 HA LYS A 79 96.721 -3.422 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.805 -5.424 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.855 -5.754 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.841 -6.977 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.126 -5.493 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 79 99.109 -5.485 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.115 -4.722 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.074 -6.491 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 79 97.553 -7.210 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 99.413 -8.689 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.676 -8.205 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.149 -7.509 3.305 1.00 0.00 H new ATOM 1249 N MET A 80 95.177 -2.503 0.934 1.00 0.00 N ATOM 1250 CA MET A 80 94.413 -2.158 -0.262 1.00 0.00 C ATOM 1251 C MET A 80 95.103 -1.028 -1.020 1.00 0.00 C ATOM 1252 O MET A 80 94.913 0.147 -0.709 1.00 0.00 O ATOM 1253 CB MET A 80 92.988 -1.727 0.110 1.00 0.00 C ATOM 1254 CG MET A 80 92.283 -1.166 -1.132 1.00 0.00 C ATOM 1255 SD MET A 80 90.499 -1.054 -0.834 1.00 0.00 S ATOM 1256 CE MET A 80 90.138 0.220 -2.066 1.00 0.00 C ATOM 0 H MET A 80 95.993 -1.913 1.098 1.00 0.00 H new ATOM 0 HA MET A 80 94.360 -3.042 -0.897 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.431 -2.577 0.505 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.018 -0.973 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.682 -0.181 -1.373 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.477 -1.808 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.158 0.034 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.142 1.200 -1.588 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.897 0.195 -2.848 1.00 0.00 H new ATOM 1266 N ILE A 81 95.904 -1.397 -2.016 1.00 0.00 N ATOM 1267 CA ILE A 81 96.621 -0.411 -2.823 1.00 0.00 C ATOM 1268 C ILE A 81 96.083 -0.411 -4.249 1.00 0.00 C ATOM 1269 O ILE A 81 96.386 -1.306 -5.038 1.00 0.00 O ATOM 1270 CB ILE A 81 98.118 -0.734 -2.837 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.724 -0.435 -1.459 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.820 0.128 -3.890 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.193 -1.428 -0.418 1.00 0.00 C ATOM 0 H ILE A 81 96.073 -2.367 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 81 96.472 0.576 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 81 98.253 -1.789 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.811 -0.498 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.478 0.584 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.885 -0.103 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.396 -0.080 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.680 1.182 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.631 -1.204 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.108 -1.344 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.462 -2.442 -0.712 1.00 0.00 H new ATOM 1285 N PHE A 82 95.282 0.599 -4.574 1.00 0.00 N ATOM 1286 CA PHE A 82 94.706 0.706 -5.911 1.00 0.00 C ATOM 1287 C PHE A 82 94.533 2.171 -6.301 1.00 0.00 C ATOM 1288 O PHE A 82 94.690 3.067 -5.471 1.00 0.00 O ATOM 1289 CB PHE A 82 93.351 -0.006 -5.951 1.00 0.00 C ATOM 1290 CG PHE A 82 93.025 -0.402 -7.373 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.548 -1.587 -7.905 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.204 0.415 -8.158 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.248 -1.955 -9.222 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.903 0.047 -9.474 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.426 -1.137 -10.007 1.00 0.00 C ATOM 0 H PHE A 82 95.018 1.350 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 82 95.383 0.233 -6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.375 -0.890 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.573 0.649 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.183 -2.217 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.802 1.330 -7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.650 -2.869 -9.632 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.267 0.677 -10.079 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.196 -1.420 -11.024 1.00 0.00 H new ATOM 1305 N ALA A 83 94.211 2.406 -7.568 1.00 0.00 N ATOM 1306 CA ALA A 83 94.024 3.766 -8.059 1.00 0.00 C ATOM 1307 C ALA A 83 92.799 4.409 -7.416 1.00 0.00 C ATOM 1308 O ALA A 83 91.664 4.019 -7.692 1.00 0.00 O ATOM 1309 CB ALA A 83 93.855 3.752 -9.580 1.00 0.00 C ATOM 0 H ALA A 83 94.075 1.678 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 83 94.905 4.350 -7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.716 4.771 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.745 3.323 -10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.984 3.152 -9.844 1.00 0.00 H new ATOM 1315 N GLY A 84 93.036 5.399 -6.561 1.00 0.00 N ATOM 1316 CA GLY A 84 91.944 6.094 -5.889 1.00 0.00 C ATOM 1317 C GLY A 84 91.024 6.756 -6.908 1.00 0.00 C ATOM 1318 O GLY A 84 91.269 6.691 -8.113 1.00 0.00 O ATOM 0 H GLY A 84 93.968 5.736 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.376 5.389 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.347 6.847 -5.211 1.00 0.00 H new ATOM 1322 N ILE A 85 89.967 7.397 -6.420 1.00 0.00 N ATOM 1323 CA ILE A 85 89.019 8.070 -7.304 1.00 0.00 C ATOM 1324 C ILE A 85 89.493 9.490 -7.607 1.00 0.00 C ATOM 1325 O ILE A 85 90.297 10.056 -6.867 1.00 0.00 O ATOM 1326 CB ILE A 85 87.637 8.111 -6.646 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.081 6.681 -6.517 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.688 8.965 -7.491 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.326 6.281 -7.790 1.00 0.00 C ATOM 0 H ILE A 85 89.745 7.465 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 85 88.955 7.515 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 85 87.724 8.551 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.898 5.982 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.414 6.620 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.706 8.992 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.081 9.979 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.600 8.533 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.940 5.267 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.497 6.969 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.004 6.321 -8.643 1.00 0.00 H new ATOM 1341 N LYS A 86 88.999 10.057 -8.707 1.00 0.00 N ATOM 1342 CA LYS A 86 89.389 11.408 -9.104 1.00 0.00 C ATOM 1343 C LYS A 86 88.338 12.437 -8.689 1.00 0.00 C ATOM 1344 O LYS A 86 88.572 13.244 -7.789 1.00 0.00 O ATOM 1345 CB LYS A 86 89.583 11.464 -10.624 1.00 0.00 C ATOM 1346 CG LYS A 86 90.944 10.871 -10.991 1.00 0.00 C ATOM 1347 CD LYS A 86 91.099 10.850 -12.514 1.00 0.00 C ATOM 1348 CE LYS A 86 92.573 10.665 -12.879 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.301 11.949 -12.672 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.333 9.606 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 86 90.324 11.650 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.788 10.910 -11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.519 12.495 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.743 11.461 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.032 9.860 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.505 10.041 -12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.723 11.780 -12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.015 9.881 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.664 10.346 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.202 11.925 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.720 12.738 -13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.490 12.082 -11.658 1.00 0.00 H new ATOM 1363 N LYS A 87 87.192 12.421 -9.365 1.00 0.00 N ATOM 1364 CA LYS A 87 86.126 13.376 -9.069 1.00 0.00 C ATOM 1365 C LYS A 87 85.267 12.911 -7.896 1.00 0.00 C ATOM 1366 O LYS A 87 85.285 11.740 -7.517 1.00 0.00 O ATOM 1367 CB LYS A 87 85.249 13.565 -10.307 1.00 0.00 C ATOM 1368 CG LYS A 87 86.062 14.261 -11.402 1.00 0.00 C ATOM 1369 CD LYS A 87 85.247 14.318 -12.700 1.00 0.00 C ATOM 1370 CE LYS A 87 85.514 13.061 -13.534 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.843 13.180 -14.198 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.978 11.764 -10.115 1.00 0.00 H new ATOM 0 HA LYS A 87 86.588 14.324 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.890 12.599 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.370 14.160 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.328 15.269 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.995 13.724 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.184 14.394 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.515 15.208 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.491 12.177 -12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 87 84.731 12.935 -14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 86.894 12.513 -14.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 86.970 14.150 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 87.594 12.959 -13.513 1.00 0.00 H new ATOM 1385 N LYS A 88 84.514 13.848 -7.323 1.00 0.00 N ATOM 1386 CA LYS A 88 83.649 13.533 -6.194 1.00 0.00 C ATOM 1387 C LYS A 88 82.479 12.664 -6.641 1.00 0.00 C ATOM 1388 O LYS A 88 82.198 11.634 -6.031 1.00 0.00 O ATOM 1389 CB LYS A 88 83.117 14.823 -5.565 1.00 0.00 C ATOM 1390 CG LYS A 88 82.477 14.506 -4.209 1.00 0.00 C ATOM 1391 CD LYS A 88 81.654 15.710 -3.728 1.00 0.00 C ATOM 1392 CE LYS A 88 80.220 15.602 -4.254 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.485 16.864 -3.961 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.487 14.823 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 88 84.234 12.984 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.929 15.539 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.384 15.286 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.837 13.628 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.250 14.267 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.650 15.747 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.110 16.637 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.229 15.415 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.713 14.757 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.511 16.790 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.465 17.024 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.965 17.661 -4.426 1.00 0.00 H new ATOM 1407 N THR A 89 81.799 13.082 -7.705 1.00 0.00 N ATOM 1408 CA THR A 89 80.661 12.322 -8.209 1.00 0.00 C ATOM 1409 C THR A 89 81.053 10.871 -8.448 1.00 0.00 C ATOM 1410 O THR A 89 80.215 9.973 -8.371 1.00 0.00 O ATOM 1411 CB THR A 89 80.144 12.925 -9.512 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.215 13.041 -10.438 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.547 14.307 -9.238 1.00 0.00 C ATOM 0 H THR A 89 82.013 13.931 -8.228 1.00 0.00 H new ATOM 0 HA THR A 89 79.872 12.364 -7.458 1.00 0.00 H new ATOM 0 HB THR A 89 79.373 12.278 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.883 13.427 -11.276 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.179 14.735 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.723 14.214 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.314 14.958 -8.818 1.00 0.00 H new ATOM 1421 N GLU A 90 82.330 10.640 -8.728 1.00 0.00 N ATOM 1422 CA GLU A 90 82.803 9.284 -8.956 1.00 0.00 C ATOM 1423 C GLU A 90 82.703 8.500 -7.656 1.00 0.00 C ATOM 1424 O GLU A 90 82.329 7.327 -7.647 1.00 0.00 O ATOM 1425 CB GLU A 90 84.252 9.296 -9.454 1.00 0.00 C ATOM 1426 CG GLU A 90 84.283 9.622 -10.948 1.00 0.00 C ATOM 1427 CD GLU A 90 85.726 9.656 -11.443 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.522 10.355 -10.837 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.013 8.985 -12.419 1.00 0.00 O ATOM 0 H GLU A 90 83.046 11.363 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 90 82.186 8.811 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.831 10.034 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.716 8.326 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.716 8.875 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.805 10.585 -11.129 1.00 0.00 H new ATOM 1436 N ARG A 91 83.023 9.172 -6.554 1.00 0.00 N ATOM 1437 CA ARG A 91 82.949 8.548 -5.240 1.00 0.00 C ATOM 1438 C ARG A 91 81.494 8.426 -4.804 1.00 0.00 C ATOM 1439 O ARG A 91 81.050 7.359 -4.390 1.00 0.00 O ATOM 1440 CB ARG A 91 83.710 9.387 -4.210 1.00 0.00 C ATOM 1441 CG ARG A 91 85.131 9.650 -4.706 1.00 0.00 C ATOM 1442 CD ARG A 91 85.929 10.386 -3.622 1.00 0.00 C ATOM 1443 NE ARG A 91 86.666 11.499 -4.212 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.138 12.489 -3.462 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.963 12.471 -2.168 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.782 13.478 -4.017 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.334 10.143 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 91 83.399 7.557 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.193 10.332 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.739 8.866 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.620 8.708 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.104 10.246 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.254 10.755 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.621 9.697 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 91 86.822 11.517 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.463 11.696 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.326 13.232 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.923 13.492 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.144 14.238 -3.441 1.00 0.00 H new ATOM 1460 N GLU A 92 80.757 9.530 -4.901 1.00 0.00 N ATOM 1461 CA GLU A 92 79.351 9.531 -4.511 1.00 0.00 C ATOM 1462 C GLU A 92 78.587 8.468 -5.291 1.00 0.00 C ATOM 1463 O GLU A 92 77.923 7.614 -4.705 1.00 0.00 O ATOM 1464 CB GLU A 92 78.734 10.906 -4.779 1.00 0.00 C ATOM 1465 CG GLU A 92 77.393 11.013 -4.050 1.00 0.00 C ATOM 1466 CD GLU A 92 76.761 12.374 -4.319 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.333 12.595 -5.440 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.715 13.176 -3.401 1.00 0.00 O ATOM 0 H GLU A 92 81.106 10.426 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 92 79.285 9.308 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.409 11.692 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.591 11.050 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.724 10.220 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.540 10.876 -2.979 1.00 0.00 H new ATOM 1475 N ASP A 93 78.696 8.517 -6.615 1.00 0.00 N ATOM 1476 CA ASP A 93 78.019 7.539 -7.457 1.00 0.00 C ATOM 1477 C ASP A 93 78.473 6.133 -7.084 1.00 0.00 C ATOM 1478 O ASP A 93 77.654 5.239 -6.873 1.00 0.00 O ATOM 1479 CB ASP A 93 78.331 7.807 -8.931 1.00 0.00 C ATOM 1480 CG ASP A 93 77.791 9.174 -9.338 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.710 9.520 -8.890 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.466 9.855 -10.092 1.00 0.00 O1- ATOM 0 H ASP A 93 79.240 9.215 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 93 76.944 7.624 -7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.408 7.768 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.885 7.031 -9.553 1.00 0.00 H new ATOM 1487 N LEU A 94 79.787 5.951 -6.995 1.00 0.00 N ATOM 1488 CA LEU A 94 80.349 4.654 -6.635 1.00 0.00 C ATOM 1489 C LEU A 94 79.819 4.207 -5.284 1.00 0.00 C ATOM 1490 O LEU A 94 79.605 3.018 -5.048 1.00 0.00 O ATOM 1491 CB LEU A 94 81.875 4.748 -6.559 1.00 0.00 C ATOM 1492 CG LEU A 94 82.459 3.417 -6.081 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.994 2.292 -7.004 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.988 3.499 -6.099 1.00 0.00 C ATOM 0 H LEU A 94 80.479 6.681 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 94 80.060 3.931 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.281 5.002 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.165 5.547 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 94 82.117 3.213 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.411 1.345 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.906 2.236 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.333 2.492 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.407 2.552 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.329 3.703 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.317 4.300 -5.437 1.00 0.00 H new ATOM 1506 N ILE A 95 79.626 5.170 -4.393 1.00 0.00 N ATOM 1507 CA ILE A 95 79.138 4.869 -3.061 1.00 0.00 C ATOM 1508 C ILE A 95 77.642 4.592 -3.092 1.00 0.00 C ATOM 1509 O ILE A 95 77.124 3.825 -2.282 1.00 0.00 O ATOM 1510 CB ILE A 95 79.462 6.027 -2.112 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.950 5.938 -1.734 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.594 5.931 -0.847 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.539 7.333 -1.502 1.00 0.00 C ATOM 0 H ILE A 95 79.800 6.159 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 95 79.637 3.972 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 95 79.254 6.979 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.065 5.336 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.501 5.433 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.832 6.759 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.541 5.979 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.793 4.987 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.592 7.244 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.444 7.924 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.001 7.825 -0.692 1.00 0.00 H new ATOM 1525 N ALA A 96 76.956 5.204 -4.049 1.00 0.00 N ATOM 1526 CA ALA A 96 75.526 4.991 -4.188 1.00 0.00 C ATOM 1527 C ALA A 96 75.271 3.533 -4.544 1.00 0.00 C ATOM 1528 O ALA A 96 74.283 2.935 -4.112 1.00 0.00 O ATOM 1529 CB ALA A 96 74.966 5.903 -5.280 1.00 0.00 C ATOM 0 H ALA A 96 77.363 5.844 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 96 75.029 5.228 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.893 5.737 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.149 6.944 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.456 5.679 -6.228 1.00 0.00 H new ATOM 1535 N TYR A 97 76.187 2.961 -5.322 1.00 0.00 N ATOM 1536 CA TYR A 97 76.071 1.565 -5.718 1.00 0.00 C ATOM 1537 C TYR A 97 76.480 0.664 -4.558 1.00 0.00 C ATOM 1538 O TYR A 97 75.781 -0.290 -4.231 1.00 0.00 O ATOM 1539 CB TYR A 97 76.958 1.277 -6.933 1.00 0.00 C ATOM 1540 CG TYR A 97 77.029 -0.217 -7.162 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.988 -0.874 -7.831 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.131 -0.946 -6.699 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.051 -2.258 -8.036 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.193 -2.330 -6.906 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.153 -2.985 -7.575 1.00 0.00 C ATOM 1546 OH TYR A 97 77.214 -4.349 -7.778 1.00 0.00 O ATOM 0 H TYR A 97 77.010 3.440 -5.687 1.00 0.00 H new ATOM 0 HA TYR A 97 75.034 1.364 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.555 1.772 -7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.958 1.679 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.137 -0.313 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.934 -0.441 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.248 -2.764 -8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.044 -2.892 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 97 78.138 -4.609 -7.975 1.00 0.00 H new ATOM 1556 N LEU A 98 77.617 0.977 -3.938 1.00 0.00 N ATOM 1557 CA LEU A 98 78.096 0.187 -2.812 1.00 0.00 C ATOM 1558 C LEU A 98 77.008 0.079 -1.746 1.00 0.00 C ATOM 1559 O LEU A 98 77.008 -0.849 -0.938 1.00 0.00 O ATOM 1560 CB LEU A 98 79.350 0.839 -2.207 1.00 0.00 C ATOM 1561 CG LEU A 98 80.596 0.434 -3.014 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.708 1.472 -2.843 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.110 -0.913 -2.508 1.00 0.00 C ATOM 0 H LEU A 98 78.215 1.763 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 98 78.348 -0.812 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.243 1.924 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.464 0.531 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 98 80.321 0.369 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.581 1.169 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.358 2.442 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.978 1.546 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.993 -1.203 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.370 -0.830 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.334 -1.668 -2.632 1.00 0.00 H new ATOM 1575 N LYS A 99 76.084 1.036 -1.749 1.00 0.00 N ATOM 1576 CA LYS A 99 74.995 1.039 -0.775 1.00 0.00 C ATOM 1577 C LYS A 99 73.888 0.074 -1.196 1.00 0.00 C ATOM 1578 O LYS A 99 73.452 -0.765 -0.406 1.00 0.00 O ATOM 1579 CB LYS A 99 74.419 2.456 -0.635 1.00 0.00 C ATOM 1580 CG LYS A 99 75.268 3.270 0.349 1.00 0.00 C ATOM 1581 CD LYS A 99 74.545 4.573 0.701 1.00 0.00 C ATOM 1582 CE LYS A 99 74.531 5.503 -0.514 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.193 6.886 -0.073 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.066 1.814 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 99 75.395 0.713 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.401 2.948 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.388 2.406 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.451 2.689 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.241 3.490 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.524 4.359 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.043 5.061 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.504 5.493 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.802 5.154 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.166 7.517 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.263 6.884 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.914 7.223 0.596 1.00 0.00 H new ATOM 1597 N LYS A 100 73.436 0.199 -2.439 1.00 0.00 N ATOM 1598 CA LYS A 100 72.375 -0.668 -2.943 1.00 0.00 C ATOM 1599 C LYS A 100 72.912 -2.072 -3.217 1.00 0.00 C ATOM 1600 O LYS A 100 72.149 -3.032 -3.311 1.00 0.00 O ATOM 1601 CB LYS A 100 71.790 -0.083 -4.231 1.00 0.00 C ATOM 1602 CG LYS A 100 70.428 -0.724 -4.514 1.00 0.00 C ATOM 1603 CD LYS A 100 69.958 -0.343 -5.922 1.00 0.00 C ATOM 1604 CE LYS A 100 69.481 1.114 -5.933 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.770 1.392 -7.214 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.783 0.884 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 100 71.594 -0.732 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.682 0.997 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.468 -0.263 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.501 -1.808 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.699 -0.392 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.772 -0.474 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.149 -1.003 -6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.817 1.297 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.331 1.787 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.445 2.380 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.417 1.232 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.950 0.758 -7.301 1.00 0.00 H new ATOM 1619 N ALA A 101 74.230 -2.178 -3.344 1.00 0.00 N ATOM 1620 CA ALA A 101 74.868 -3.462 -3.607 1.00 0.00 C ATOM 1621 C ALA A 101 75.136 -4.205 -2.305 1.00 0.00 C ATOM 1622 O ALA A 101 75.104 -5.435 -2.261 1.00 0.00 O ATOM 1623 CB ALA A 101 76.185 -3.246 -4.351 1.00 0.00 C ATOM 0 H ALA A 101 74.876 -1.392 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 101 74.196 -4.061 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.656 -4.210 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.990 -2.741 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.850 -2.632 -3.743 1.00 0.00 H new ATOM 1629 N THR A 102 75.401 -3.449 -1.242 1.00 0.00 N ATOM 1630 CA THR A 102 75.676 -4.046 0.059 1.00 0.00 C ATOM 1631 C THR A 102 74.383 -4.199 0.847 1.00 0.00 C ATOM 1632 O THR A 102 74.369 -4.765 1.941 1.00 0.00 O ATOM 1633 CB THR A 102 76.653 -3.167 0.841 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.111 -1.860 0.972 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.987 -3.098 0.096 1.00 0.00 C ATOM 0 H THR A 102 75.431 -2.430 -1.257 1.00 0.00 H new ATOM 0 HA THR A 102 76.120 -5.030 -0.093 1.00 0.00 H new ATOM 0 HB THR A 102 76.815 -3.593 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.246 -1.365 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.683 -2.471 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.401 -4.101 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.829 -2.672 -0.895 1.00 0.00 H new ATOM 1643 N ASN A 103 73.299 -3.687 0.278 1.00 0.00 N ATOM 1644 CA ASN A 103 71.992 -3.760 0.918 1.00 0.00 C ATOM 1645 C ASN A 103 71.211 -4.959 0.394 1.00 0.00 C ATOM 1646 O ASN A 103 70.320 -5.477 1.067 1.00 0.00 O ATOM 1647 CB ASN A 103 71.214 -2.474 0.635 1.00 0.00 C ATOM 1648 CG ASN A 103 71.666 -1.369 1.580 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.909 -0.439 1.859 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.862 -1.416 2.091 1.00 0.00 N ATOM 0 H ASN A 103 73.299 -3.216 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 103 72.130 -3.876 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.370 -2.165 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.146 -2.652 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.175 -0.681 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.486 -2.188 1.858 1.00 0.00 H new ATOM 1657 N GLU A 104 71.553 -5.396 -0.814 1.00 0.00 N ATOM 1658 CA GLU A 104 70.879 -6.537 -1.424 1.00 0.00 C ATOM 1659 C GLU A 104 71.802 -7.237 -2.418 1.00 0.00 C ATOM 1660 O GLU A 104 71.487 -8.349 -2.807 1.00 0.00 O ATOM 1661 CB GLU A 104 69.612 -6.071 -2.145 1.00 0.00 C ATOM 1662 CG GLU A 104 69.942 -4.867 -3.029 1.00 0.00 C ATOM 1663 CD GLU A 104 68.802 -4.611 -4.009 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.815 -5.323 -3.937 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.935 -3.708 -4.818 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.809 -6.649 -2.774 1.00 0.00 O ATOM 0 H GLU A 104 72.288 -4.981 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 104 70.612 -7.240 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.207 -6.881 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.845 -5.803 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.105 -3.985 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.868 -5.049 -3.575 1.00 0.00 H new