USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 769 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 113 LYS NZ :NH3+ -129:sc= 1.92 (180deg=0.573) USER MOD Set 1.2: A 114 GLN : amide:sc= 0.672 K(o=2.6,f=-5.2!) USER MOD Set 2.1: A 27 GLN : amide:sc= -1.35! C(o=-8.5!,f=-11!) USER MOD Set 2.2: A 95 GLN : amide:sc= -7.15! C(o=-8.5!,f=-11!) USER MOD Single : A 3 SER OG : rot 42:sc= 0.134 USER MOD Single : A 7 MET CE :methyl 141:sc= -0.2 (180deg=-0.799) USER MOD Single : A 11 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 13 MET CE :methyl -173:sc= -0.386 (180deg=-0.512) USER MOD Single : A 14 MET CE :methyl 153:sc= -0.5 (180deg=-1.7) USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 19 GLN : amide:sc= -1.8! C(o=-1.8!,f=-5.4!) USER MOD Single : A 20 MET CE :methyl -132:sc= -0.327 (180deg=-2.72!) USER MOD Single : A 26 GLN : amide:sc= -0.0666 K(o=-0.067,f=-0.7) USER MOD Single : A 31 SER OG : rot 70:sc= 0.341 USER MOD Single : A 32 ASN : amide:sc= 1.23 K(o=1.2,f=-0.15) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 68 CYS SG : rot 64:sc= -0.834! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.47 K(o=0.47,f=-4.2!) USER MOD Single : A 74 SER OG : rot -25:sc= 0.141 USER MOD Single : A 75 TYR OH : rot 30:sc= 0.0343 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.783 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 90 GLN : amide:sc= 0.566 K(o=0.57,f=-0.0035) USER MOD Single : A 98 SER OG : rot 84:sc= 0.551 USER MOD Single : A 99 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.1!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.03 X(o=-2,f=-1.5) USER MOD Single : A 112 MET CE :methyl -178:sc= -4.26 (180deg=-4.32) USER MOD Single : A 119 HIS : no HD1:sc= -0.614 K(o=-0.61,f=0.17) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.128 4.097 -4.164 1.00 0.00 N ATOM 38 CA SER A 3 -22.308 3.980 -2.742 1.00 0.00 C ATOM 39 C SER A 3 -21.050 4.440 -2.014 1.00 0.00 C ATOM 40 O SER A 3 -19.941 4.322 -2.549 1.00 0.00 O ATOM 41 CB SER A 3 -22.636 2.530 -2.385 1.00 0.00 C ATOM 42 OG SER A 3 -23.757 2.066 -3.129 1.00 0.00 O ATOM 0 HA SER A 3 -23.136 4.616 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.772 1.897 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.845 2.452 -1.318 1.00 0.00 H new ATOM 0 HG SER A 3 -23.685 2.375 -4.056 1.00 0.00 H new ATOM 48 N PRO A 4 -21.200 4.987 -0.791 1.00 0.00 N ATOM 49 CA PRO A 4 -20.064 5.446 0.013 1.00 0.00 C ATOM 50 C PRO A 4 -19.020 4.353 0.184 1.00 0.00 C ATOM 51 O PRO A 4 -17.822 4.630 0.258 1.00 0.00 O ATOM 52 CB PRO A 4 -20.698 5.797 1.363 1.00 0.00 C ATOM 53 CG PRO A 4 -22.116 6.114 1.041 1.00 0.00 C ATOM 54 CD PRO A 4 -22.489 5.219 -0.108 1.00 0.00 C ATOM 0 HA PRO A 4 -19.540 6.282 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.627 4.964 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.197 6.647 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.761 5.934 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.230 7.164 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.935 4.286 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.214 5.694 -0.769 1.00 0.00 H new ATOM 62 N ALA A 5 -19.486 3.107 0.231 1.00 0.00 N ATOM 63 CA ALA A 5 -18.604 1.962 0.364 1.00 0.00 C ATOM 64 C ALA A 5 -17.637 1.885 -0.809 1.00 0.00 C ATOM 65 O ALA A 5 -16.458 1.595 -0.631 1.00 0.00 O ATOM 66 CB ALA A 5 -19.416 0.681 0.473 1.00 0.00 C ATOM 0 H ALA A 5 -20.477 2.869 0.178 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.020 2.082 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.742 -0.170 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.064 0.734 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.025 0.559 -0.423 1.00 0.00 H new ATOM 72 N GLU A 6 -18.138 2.182 -2.006 1.00 0.00 N ATOM 73 CA GLU A 6 -17.318 2.139 -3.208 1.00 0.00 C ATOM 74 C GLU A 6 -16.211 3.165 -3.133 1.00 0.00 C ATOM 75 O GLU A 6 -15.069 2.885 -3.477 1.00 0.00 O ATOM 76 CB GLU A 6 -18.172 2.355 -4.450 1.00 0.00 C ATOM 77 CG GLU A 6 -19.198 1.261 -4.674 1.00 0.00 C ATOM 78 CD GLU A 6 -20.046 1.505 -5.893 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.534 1.345 -7.022 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.235 1.853 -5.734 1.00 0.00 O ATOM 0 H GLU A 6 -19.108 2.455 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.863 1.151 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.686 3.313 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.522 2.417 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.687 0.304 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.841 1.186 -3.797 1.00 0.00 H new ATOM 87 N MET A 7 -16.563 4.354 -2.683 1.00 0.00 N ATOM 88 CA MET A 7 -15.587 5.421 -2.478 1.00 0.00 C ATOM 89 C MET A 7 -14.449 4.938 -1.576 1.00 0.00 C ATOM 90 O MET A 7 -13.275 5.191 -1.852 1.00 0.00 O ATOM 91 CB MET A 7 -16.260 6.651 -1.861 1.00 0.00 C ATOM 92 CG MET A 7 -15.306 7.808 -1.600 1.00 0.00 C ATOM 93 SD MET A 7 -16.111 9.212 -0.798 1.00 0.00 S ATOM 94 CE MET A 7 -16.658 8.466 0.739 1.00 0.00 C ATOM 0 H MET A 7 -17.522 4.612 -2.450 1.00 0.00 H new ATOM 0 HA MET A 7 -15.173 5.698 -3.447 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.054 6.990 -2.526 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.732 6.362 -0.922 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.484 7.461 -0.975 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.872 8.135 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.523 9.175 1.556 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.712 8.200 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.072 7.569 0.937 1.00 0.00 H new ATOM 104 N VAL A 8 -14.809 4.231 -0.507 1.00 0.00 N ATOM 105 CA VAL A 8 -13.823 3.673 0.415 1.00 0.00 C ATOM 106 C VAL A 8 -12.931 2.667 -0.318 1.00 0.00 C ATOM 107 O VAL A 8 -11.706 2.694 -0.183 1.00 0.00 O ATOM 108 CB VAL A 8 -14.504 2.982 1.627 1.00 0.00 C ATOM 109 CG1 VAL A 8 -13.465 2.407 2.579 1.00 0.00 C ATOM 110 CG2 VAL A 8 -15.411 3.962 2.361 1.00 0.00 C ATOM 0 H VAL A 8 -15.778 4.031 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.216 4.496 0.791 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.112 2.160 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.967 1.928 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.857 1.671 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.826 3.209 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.880 3.460 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.821 4.805 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.182 4.323 1.681 1.00 0.00 H new ATOM 120 N LEU A 9 -13.561 1.804 -1.118 1.00 0.00 N ATOM 121 CA LEU A 9 -12.849 0.807 -1.924 1.00 0.00 C ATOM 122 C LEU A 9 -11.755 1.456 -2.748 1.00 0.00 C ATOM 123 O LEU A 9 -10.595 1.048 -2.693 1.00 0.00 O ATOM 124 CB LEU A 9 -13.817 0.092 -2.869 1.00 0.00 C ATOM 125 CG LEU A 9 -14.369 -1.246 -2.397 1.00 0.00 C ATOM 126 CD1 LEU A 9 -15.137 -1.099 -1.099 1.00 0.00 C ATOM 127 CD2 LEU A 9 -15.249 -1.857 -3.475 1.00 0.00 C ATOM 0 H LEU A 9 -14.575 1.775 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.404 0.087 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.658 0.758 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.310 -0.066 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.528 -1.913 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.518 -2.072 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.475 -0.706 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.971 -0.413 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.639 -2.814 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.079 -1.184 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.661 -2.012 -4.380 1.00 0.00 H new ATOM 139 N GLU A 10 -12.134 2.481 -3.497 1.00 0.00 N ATOM 140 CA GLU A 10 -11.227 3.195 -4.355 1.00 0.00 C ATOM 141 C GLU A 10 -10.110 3.794 -3.544 1.00 0.00 C ATOM 142 O GLU A 10 -8.967 3.696 -3.908 1.00 0.00 O ATOM 143 CB GLU A 10 -11.972 4.312 -5.092 1.00 0.00 C ATOM 144 CG GLU A 10 -13.208 3.848 -5.849 1.00 0.00 C ATOM 145 CD GLU A 10 -14.002 5.005 -6.419 1.00 0.00 C ATOM 146 OE1 GLU A 10 -14.631 5.749 -5.633 1.00 0.00 O ATOM 147 OE2 GLU A 10 -14.002 5.182 -7.659 1.00 0.00 O ATOM 0 H GLU A 10 -13.090 2.836 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.812 2.496 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.267 5.073 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.287 4.787 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.907 3.183 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.844 3.268 -5.180 1.00 0.00 H new ATOM 154 N THR A 11 -10.461 4.374 -2.416 1.00 0.00 N ATOM 155 CA THR A 11 -9.489 5.056 -1.576 1.00 0.00 C ATOM 156 C THR A 11 -8.403 4.096 -1.063 1.00 0.00 C ATOM 157 O THR A 11 -7.214 4.425 -1.068 1.00 0.00 O ATOM 158 CB THR A 11 -10.172 5.770 -0.388 1.00 0.00 C ATOM 159 OG1 THR A 11 -11.263 6.573 -0.872 1.00 0.00 O ATOM 160 CG2 THR A 11 -9.183 6.671 0.335 1.00 0.00 C ATOM 0 H THR A 11 -11.415 4.389 -2.055 1.00 0.00 H new ATOM 0 HA THR A 11 -9.008 5.808 -2.201 1.00 0.00 H new ATOM 0 HB THR A 11 -10.539 5.013 0.305 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.071 6.023 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.683 7.165 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.354 6.072 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.802 7.422 -0.357 1.00 0.00 H new ATOM 168 N LEU A 12 -8.805 2.902 -0.676 1.00 0.00 N ATOM 169 CA LEU A 12 -7.862 1.929 -0.136 1.00 0.00 C ATOM 170 C LEU A 12 -7.130 1.185 -1.238 1.00 0.00 C ATOM 171 O LEU A 12 -5.922 0.968 -1.153 1.00 0.00 O ATOM 172 CB LEU A 12 -8.555 0.939 0.802 1.00 0.00 C ATOM 173 CG LEU A 12 -8.781 1.424 2.236 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.798 2.541 2.285 1.00 0.00 C ATOM 175 CD2 LEU A 12 -9.213 0.280 3.116 1.00 0.00 C ATOM 0 H LEU A 12 -9.771 2.578 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.126 2.490 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.521 0.676 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.962 0.025 0.837 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.835 1.817 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.936 2.863 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.445 3.381 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.748 2.186 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.369 0.642 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.142 -0.142 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.440 -0.488 3.119 1.00 0.00 H new ATOM 187 N MET A 13 -7.850 0.831 -2.292 1.00 0.00 N ATOM 188 CA MET A 13 -7.267 0.092 -3.404 1.00 0.00 C ATOM 189 C MET A 13 -6.352 1.007 -4.216 1.00 0.00 C ATOM 190 O MET A 13 -5.500 0.551 -4.962 1.00 0.00 O ATOM 191 CB MET A 13 -8.367 -0.486 -4.301 1.00 0.00 C ATOM 192 CG MET A 13 -7.935 -1.710 -5.100 1.00 0.00 C ATOM 193 SD MET A 13 -8.549 -3.267 -4.397 1.00 0.00 S ATOM 194 CE MET A 13 -7.941 -3.183 -2.709 1.00 0.00 C ATOM 0 H MET A 13 -8.842 1.044 -2.402 1.00 0.00 H new ATOM 0 HA MET A 13 -6.679 -0.734 -3.003 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.224 -0.753 -3.682 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.702 0.287 -4.993 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.294 -1.614 -6.125 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.846 -1.742 -5.145 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.139 -4.128 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.868 -2.994 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.447 -2.376 -2.180 1.00 0.00 H new ATOM 204 N MET A 14 -6.507 2.296 -4.004 1.00 0.00 N ATOM 205 CA MET A 14 -5.721 3.300 -4.721 1.00 0.00 C ATOM 206 C MET A 14 -4.434 3.547 -3.969 1.00 0.00 C ATOM 207 O MET A 14 -3.358 3.646 -4.562 1.00 0.00 O ATOM 208 CB MET A 14 -6.511 4.601 -4.874 1.00 0.00 C ATOM 209 CG MET A 14 -5.722 5.779 -5.417 1.00 0.00 C ATOM 210 SD MET A 14 -6.765 7.233 -5.681 1.00 0.00 S ATOM 211 CE MET A 14 -7.648 7.316 -4.118 1.00 0.00 C ATOM 0 H MET A 14 -7.174 2.684 -3.337 1.00 0.00 H new ATOM 0 HA MET A 14 -5.494 2.931 -5.721 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.358 4.417 -5.535 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.919 4.876 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.921 6.030 -4.722 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.250 5.496 -6.358 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.941 8.347 -3.920 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.539 6.690 -4.170 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.001 6.962 -3.315 1.00 0.00 H new ATOM 221 N GLU A 15 -4.550 3.609 -2.646 1.00 0.00 N ATOM 222 CA GLU A 15 -3.419 3.826 -1.789 1.00 0.00 C ATOM 223 C GLU A 15 -2.517 2.614 -1.863 1.00 0.00 C ATOM 224 O GLU A 15 -1.301 2.729 -2.011 1.00 0.00 O ATOM 225 CB GLU A 15 -3.907 4.058 -0.358 1.00 0.00 C ATOM 226 CG GLU A 15 -2.898 4.731 0.536 1.00 0.00 C ATOM 227 CD GLU A 15 -2.401 6.028 -0.050 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.218 6.941 -0.279 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.189 6.149 -0.282 1.00 0.00 O ATOM 0 H GLU A 15 -5.436 3.509 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.858 4.705 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.812 4.665 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.182 3.099 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.347 4.922 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.054 4.060 0.700 1.00 0.00 H new ATOM 236 N LEU A 16 -3.139 1.450 -1.781 1.00 0.00 N ATOM 237 CA LEU A 16 -2.451 0.185 -1.904 1.00 0.00 C ATOM 238 C LEU A 16 -1.683 0.111 -3.218 1.00 0.00 C ATOM 239 O LEU A 16 -0.528 -0.286 -3.245 1.00 0.00 O ATOM 240 CB LEU A 16 -3.465 -0.959 -1.829 1.00 0.00 C ATOM 241 CG LEU A 16 -2.916 -2.361 -2.110 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.905 -2.774 -1.051 1.00 0.00 C ATOM 243 CD2 LEU A 16 -4.049 -3.367 -2.194 1.00 0.00 C ATOM 0 H LEU A 16 -4.143 1.360 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.737 0.096 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.912 -0.958 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.267 -0.755 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.402 -2.339 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.531 -3.773 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.074 -2.068 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.384 -2.777 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.642 -4.358 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.593 -3.382 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.728 -3.084 -2.999 1.00 0.00 H new ATOM 255 N THR A 17 -2.330 0.516 -4.291 1.00 0.00 N ATOM 256 CA THR A 17 -1.722 0.451 -5.616 1.00 0.00 C ATOM 257 C THR A 17 -0.528 1.402 -5.753 1.00 0.00 C ATOM 258 O THR A 17 0.562 0.985 -6.161 1.00 0.00 O ATOM 259 CB THR A 17 -2.749 0.726 -6.729 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.771 -0.272 -6.690 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.091 0.713 -8.102 1.00 0.00 C ATOM 0 H THR A 17 -3.277 0.895 -4.278 1.00 0.00 H new ATOM 0 HA THR A 17 -1.354 -0.568 -5.731 1.00 0.00 H new ATOM 0 HB THR A 17 -3.178 1.714 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.426 -0.042 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.842 0.910 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.320 1.482 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.639 -0.263 -8.280 1.00 0.00 H new ATOM 269 N GLY A 18 -0.733 2.667 -5.406 1.00 0.00 N ATOM 270 CA GLY A 18 0.312 3.655 -5.514 1.00 0.00 C ATOM 271 C GLY A 18 1.512 3.302 -4.690 1.00 0.00 C ATOM 272 O GLY A 18 2.642 3.553 -5.095 1.00 0.00 O ATOM 0 H GLY A 18 -1.618 3.025 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.607 3.756 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.072 4.624 -5.196 1.00 0.00 H new ATOM 276 N GLN A 19 1.276 2.690 -3.548 1.00 0.00 N ATOM 277 CA GLN A 19 2.348 2.316 -2.678 1.00 0.00 C ATOM 278 C GLN A 19 2.957 1.005 -3.111 1.00 0.00 C ATOM 279 O GLN A 19 4.132 0.790 -2.923 1.00 0.00 O ATOM 280 CB GLN A 19 1.894 2.261 -1.223 1.00 0.00 C ATOM 281 CG GLN A 19 1.504 3.618 -0.658 1.00 0.00 C ATOM 282 CD GLN A 19 1.142 3.557 0.808 1.00 0.00 C ATOM 283 OE1 GLN A 19 1.650 2.729 1.549 1.00 0.00 O ATOM 284 NE2 GLN A 19 0.261 4.431 1.234 1.00 0.00 N ATOM 0 H GLN A 19 0.346 2.445 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 19 3.117 3.085 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.044 1.584 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.696 1.840 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.330 4.315 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.658 4.012 -1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.141 5.107 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.021 4.434 2.214 1.00 0.00 H new ATOM 293 N MET A 20 2.149 0.131 -3.703 1.00 0.00 N ATOM 294 CA MET A 20 2.654 -1.137 -4.216 1.00 0.00 C ATOM 295 C MET A 20 3.623 -0.871 -5.342 1.00 0.00 C ATOM 296 O MET A 20 4.737 -1.378 -5.356 1.00 0.00 O ATOM 297 CB MET A 20 1.511 -2.032 -4.708 1.00 0.00 C ATOM 298 CG MET A 20 1.980 -3.364 -5.281 1.00 0.00 C ATOM 299 SD MET A 20 0.618 -4.476 -5.685 1.00 0.00 S ATOM 300 CE MET A 20 -0.096 -4.727 -4.059 1.00 0.00 C ATOM 0 H MET A 20 1.149 0.276 -3.839 1.00 0.00 H new ATOM 0 HA MET A 20 3.163 -1.660 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.828 -2.223 -3.880 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.945 -1.497 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.570 -3.180 -6.179 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.638 -3.851 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.259 -5.792 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.584 -4.342 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.048 -4.200 -3.994 1.00 0.00 H new ATOM 310 N ARG A 21 3.186 -0.036 -6.259 1.00 0.00 N ATOM 311 CA ARG A 21 3.996 0.347 -7.404 1.00 0.00 C ATOM 312 C ARG A 21 5.236 1.099 -6.950 1.00 0.00 C ATOM 313 O ARG A 21 6.355 0.757 -7.334 1.00 0.00 O ATOM 314 CB ARG A 21 3.189 1.191 -8.392 1.00 0.00 C ATOM 315 CG ARG A 21 2.066 0.426 -9.068 1.00 0.00 C ATOM 316 CD ARG A 21 1.338 1.284 -10.087 1.00 0.00 C ATOM 317 NE ARG A 21 0.301 0.528 -10.785 1.00 0.00 N ATOM 318 CZ ARG A 21 -0.434 1.000 -11.792 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.265 2.250 -12.225 1.00 0.00 N ATOM 320 NH2 ARG A 21 -1.341 0.217 -12.367 1.00 0.00 N ATOM 0 H ARG A 21 2.263 0.398 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 21 4.308 -0.563 -7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.768 2.048 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.861 1.584 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.472 -0.458 -9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.359 0.076 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.889 2.142 -9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.053 1.676 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 21 0.127 -0.430 -10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.431 2.852 -11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.831 2.604 -12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.472 -0.739 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.906 0.572 -13.138 1.00 0.00 H new ATOM 334 N GLU A 22 5.032 2.137 -6.139 1.00 0.00 N ATOM 335 CA GLU A 22 6.149 2.909 -5.590 1.00 0.00 C ATOM 336 C GLU A 22 7.124 2.006 -4.826 1.00 0.00 C ATOM 337 O GLU A 22 8.347 2.158 -4.936 1.00 0.00 O ATOM 338 CB GLU A 22 5.631 4.025 -4.687 1.00 0.00 C ATOM 339 CG GLU A 22 6.692 5.025 -4.264 1.00 0.00 C ATOM 340 CD GLU A 22 6.099 6.212 -3.545 1.00 0.00 C ATOM 341 OE1 GLU A 22 5.490 7.074 -4.217 1.00 0.00 O ATOM 342 OE2 GLU A 22 6.233 6.295 -2.316 1.00 0.00 O ATOM 0 H GLU A 22 4.110 2.462 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 22 6.691 3.357 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.833 4.556 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.190 3.580 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.415 4.532 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.236 5.369 -5.143 1.00 0.00 H new ATOM 349 N ALA A 23 6.581 1.065 -4.063 1.00 0.00 N ATOM 350 CA ALA A 23 7.407 0.123 -3.303 1.00 0.00 C ATOM 351 C ALA A 23 8.250 -0.751 -4.222 1.00 0.00 C ATOM 352 O ALA A 23 9.409 -1.051 -3.913 1.00 0.00 O ATOM 353 CB ALA A 23 6.551 -0.744 -2.412 1.00 0.00 C ATOM 0 H ALA A 23 5.576 0.931 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 23 8.081 0.713 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.186 -1.435 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.002 -0.115 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.846 -1.309 -3.022 1.00 0.00 H new ATOM 359 N GLU A 24 7.668 -1.164 -5.346 1.00 0.00 N ATOM 360 CA GLU A 24 8.386 -1.986 -6.315 1.00 0.00 C ATOM 361 C GLU A 24 9.589 -1.224 -6.866 1.00 0.00 C ATOM 362 O GLU A 24 10.668 -1.794 -7.055 1.00 0.00 O ATOM 363 CB GLU A 24 7.459 -2.431 -7.454 1.00 0.00 C ATOM 364 CG GLU A 24 6.345 -3.371 -7.009 1.00 0.00 C ATOM 365 CD GLU A 24 5.445 -3.801 -8.148 1.00 0.00 C ATOM 366 OE1 GLU A 24 4.467 -3.081 -8.450 1.00 0.00 O ATOM 367 OE2 GLU A 24 5.711 -4.863 -8.755 1.00 0.00 O ATOM 0 H GLU A 24 6.707 -0.944 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 24 8.743 -2.881 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.015 -1.548 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.054 -2.926 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.785 -4.255 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.744 -2.878 -6.245 1.00 0.00 H new ATOM 374 N ARG A 25 9.402 0.072 -7.096 1.00 0.00 N ATOM 375 CA ARG A 25 10.479 0.927 -7.580 1.00 0.00 C ATOM 376 C ARG A 25 11.579 1.025 -6.529 1.00 0.00 C ATOM 377 O ARG A 25 12.765 0.959 -6.846 1.00 0.00 O ATOM 378 CB ARG A 25 9.958 2.330 -7.887 1.00 0.00 C ATOM 379 CG ARG A 25 10.984 3.230 -8.562 1.00 0.00 C ATOM 380 CD ARG A 25 10.648 4.697 -8.370 1.00 0.00 C ATOM 381 NE ARG A 25 10.925 5.145 -7.002 1.00 0.00 N ATOM 382 CZ ARG A 25 10.195 6.044 -6.333 1.00 0.00 C ATOM 383 NH1 ARG A 25 9.142 6.619 -6.908 1.00 0.00 N ATOM 384 NH2 ARG A 25 10.533 6.380 -5.092 1.00 0.00 N ATOM 0 H ARG A 25 8.514 0.553 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 25 10.878 0.486 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.080 2.250 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.632 2.798 -6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.974 3.026 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.026 3.001 -9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.226 5.297 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.595 4.862 -8.600 1.00 0.00 H new ATOM 0 HE ARG A 25 11.732 4.742 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.887 6.375 -7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.590 7.304 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.348 5.952 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.978 7.065 -4.580 1.00 0.00 H new ATOM 398 N GLN A 26 11.165 1.173 -5.273 1.00 0.00 N ATOM 399 CA GLN A 26 12.094 1.295 -4.155 1.00 0.00 C ATOM 400 C GLN A 26 12.988 0.068 -4.060 1.00 0.00 C ATOM 401 O GLN A 26 14.203 0.184 -3.900 1.00 0.00 O ATOM 402 CB GLN A 26 11.330 1.490 -2.840 1.00 0.00 C ATOM 403 CG GLN A 26 12.234 1.684 -1.627 1.00 0.00 C ATOM 404 CD GLN A 26 13.086 2.931 -1.737 1.00 0.00 C ATOM 405 OE1 GLN A 26 12.679 3.923 -2.336 1.00 0.00 O ATOM 406 NE2 GLN A 26 14.276 2.885 -1.172 1.00 0.00 N ATOM 0 H GLN A 26 10.182 1.211 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 26 12.721 2.169 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.675 2.356 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.690 0.624 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.622 1.743 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.881 0.814 -1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.576 2.041 -0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.896 3.693 -1.223 1.00 0.00 H new ATOM 415 N GLN A 27 12.384 -1.105 -4.164 1.00 0.00 N ATOM 416 CA GLN A 27 13.136 -2.343 -4.107 1.00 0.00 C ATOM 417 C GLN A 27 14.069 -2.470 -5.290 1.00 0.00 C ATOM 418 O GLN A 27 15.168 -3.003 -5.162 1.00 0.00 O ATOM 419 CB GLN A 27 12.214 -3.543 -4.013 1.00 0.00 C ATOM 420 CG GLN A 27 11.832 -3.887 -2.590 1.00 0.00 C ATOM 421 CD GLN A 27 10.842 -5.014 -2.516 1.00 0.00 C ATOM 422 OE1 GLN A 27 9.639 -4.790 -2.474 1.00 0.00 O ATOM 423 NE2 GLN A 27 11.339 -6.238 -2.502 1.00 0.00 N ATOM 0 H GLN A 27 11.378 -1.223 -4.288 1.00 0.00 H new ATOM 0 HA GLN A 27 13.743 -2.317 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.309 -3.345 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.700 -4.404 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.728 -4.158 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.411 -3.005 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.349 -6.379 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.713 -7.042 -2.455 1.00 0.00 H new ATOM 432 N ARG A 28 13.643 -1.969 -6.438 1.00 0.00 N ATOM 433 CA ARG A 28 14.493 -1.982 -7.612 1.00 0.00 C ATOM 434 C ARG A 28 15.698 -1.090 -7.389 1.00 0.00 C ATOM 435 O ARG A 28 16.830 -1.475 -7.685 1.00 0.00 O ATOM 436 CB ARG A 28 13.729 -1.550 -8.862 1.00 0.00 C ATOM 437 CG ARG A 28 12.810 -2.621 -9.426 1.00 0.00 C ATOM 438 CD ARG A 28 13.579 -3.903 -9.712 1.00 0.00 C ATOM 439 NE ARG A 28 12.851 -4.807 -10.602 1.00 0.00 N ATOM 440 CZ ARG A 28 13.109 -6.112 -10.726 1.00 0.00 C ATOM 441 NH1 ARG A 28 13.986 -6.702 -9.919 1.00 0.00 N ATOM 442 NH2 ARG A 28 12.475 -6.828 -11.645 1.00 0.00 N ATOM 0 H ARG A 28 12.723 -1.553 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 28 14.832 -3.005 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.137 -0.666 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.445 -1.259 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.006 -2.825 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.344 -2.260 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.541 -3.653 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.789 -4.414 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 28 12.096 -4.415 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.465 -6.158 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.180 -7.699 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.791 -6.382 -12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.671 -7.824 -11.740 1.00 0.00 H new ATOM 456 N GLU A 29 15.457 0.093 -6.842 1.00 0.00 N ATOM 457 CA GLU A 29 16.532 1.020 -6.531 1.00 0.00 C ATOM 458 C GLU A 29 17.484 0.403 -5.512 1.00 0.00 C ATOM 459 O GLU A 29 18.694 0.594 -5.587 1.00 0.00 O ATOM 460 CB GLU A 29 15.975 2.346 -6.011 1.00 0.00 C ATOM 461 CG GLU A 29 15.143 3.099 -7.037 1.00 0.00 C ATOM 462 CD GLU A 29 14.760 4.484 -6.572 1.00 0.00 C ATOM 463 OE1 GLU A 29 15.640 5.370 -6.552 1.00 0.00 O ATOM 464 OE2 GLU A 29 13.571 4.709 -6.245 1.00 0.00 O ATOM 0 H GLU A 29 14.525 0.432 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 29 17.086 1.223 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.363 2.153 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.803 2.979 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.704 3.175 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.239 2.530 -7.254 1.00 0.00 H new ATOM 471 N ARG A 30 16.922 -0.352 -4.570 1.00 0.00 N ATOM 472 CA ARG A 30 17.712 -1.056 -3.565 1.00 0.00 C ATOM 473 C ARG A 30 18.678 -2.037 -4.238 1.00 0.00 C ATOM 474 O ARG A 30 19.869 -2.073 -3.921 1.00 0.00 O ATOM 475 CB ARG A 30 16.790 -1.815 -2.600 1.00 0.00 C ATOM 476 CG ARG A 30 17.533 -2.642 -1.562 1.00 0.00 C ATOM 477 CD ARG A 30 16.593 -3.572 -0.801 1.00 0.00 C ATOM 478 NE ARG A 30 15.587 -2.846 -0.013 1.00 0.00 N ATOM 479 CZ ARG A 30 14.661 -3.439 0.762 1.00 0.00 C ATOM 480 NH1 ARG A 30 14.599 -4.768 0.843 1.00 0.00 N ATOM 481 NH2 ARG A 30 13.804 -2.705 1.452 1.00 0.00 N ATOM 0 H ARG A 30 15.915 -0.492 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 30 18.288 -0.321 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.147 -1.099 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.139 -2.472 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.308 -3.231 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.035 -1.977 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.088 -4.229 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.178 -4.208 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 30 15.591 -1.827 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.256 -5.342 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.894 -5.211 1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.844 -1.687 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.103 -3.157 2.039 1.00 0.00 H new ATOM 495 N SER A 31 18.158 -2.816 -5.180 1.00 0.00 N ATOM 496 CA SER A 31 18.959 -3.794 -5.896 1.00 0.00 C ATOM 497 C SER A 31 20.054 -3.111 -6.720 1.00 0.00 C ATOM 498 O SER A 31 21.188 -3.579 -6.769 1.00 0.00 O ATOM 499 CB SER A 31 18.066 -4.644 -6.801 1.00 0.00 C ATOM 500 OG SER A 31 17.027 -5.260 -6.055 1.00 0.00 O ATOM 0 H SER A 31 17.179 -2.786 -5.465 1.00 0.00 H new ATOM 0 HA SER A 31 19.442 -4.441 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.636 -4.019 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.666 -5.408 -7.296 1.00 0.00 H new ATOM 0 HG SER A 31 16.391 -4.578 -5.755 1.00 0.00 H new ATOM 506 N ASN A 32 19.712 -1.990 -7.344 1.00 0.00 N ATOM 507 CA ASN A 32 20.669 -1.248 -8.167 1.00 0.00 C ATOM 508 C ASN A 32 21.677 -0.497 -7.309 1.00 0.00 C ATOM 509 O ASN A 32 22.721 -0.066 -7.796 1.00 0.00 O ATOM 510 CB ASN A 32 19.946 -0.283 -9.115 1.00 0.00 C ATOM 511 CG ASN A 32 19.271 -0.996 -10.276 1.00 0.00 C ATOM 512 OD1 ASN A 32 19.860 -1.162 -11.350 1.00 0.00 O ATOM 513 ND2 ASN A 32 18.044 -1.427 -10.070 1.00 0.00 N ATOM 0 H ASN A 32 18.782 -1.573 -7.298 1.00 0.00 H new ATOM 0 HA ASN A 32 21.216 -1.976 -8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.198 0.278 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.662 0.441 -9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.545 -1.918 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.593 -1.270 -9.169 1.00 0.00 H new ATOM 862 N LEU A 56 -2.774 -9.365 -5.426 1.00 0.00 N ATOM 863 CA LEU A 56 -4.144 -9.067 -5.133 1.00 0.00 C ATOM 864 C LEU A 56 -5.052 -9.908 -5.992 1.00 0.00 C ATOM 865 O LEU A 56 -5.623 -9.447 -6.980 1.00 0.00 O ATOM 866 CB LEU A 56 -4.437 -7.576 -5.269 1.00 0.00 C ATOM 867 CG LEU A 56 -4.512 -6.809 -3.948 1.00 0.00 C ATOM 868 CD1 LEU A 56 -5.666 -7.316 -3.099 1.00 0.00 C ATOM 869 CD2 LEU A 56 -3.204 -6.925 -3.183 1.00 0.00 C ATOM 0 HA LEU A 56 -4.339 -9.321 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.664 -7.124 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.383 -7.454 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.685 -5.757 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.702 -6.758 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.603 -7.180 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.522 -8.375 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.280 -6.372 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.999 -7.974 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.393 -6.512 -3.784 1.00 0.00 H new ATOM 881 N SER A 57 -5.138 -11.158 -5.613 1.00 0.00 N ATOM 882 CA SER A 57 -5.926 -12.145 -6.314 1.00 0.00 C ATOM 883 C SER A 57 -7.414 -11.959 -5.999 1.00 0.00 C ATOM 884 O SER A 57 -7.757 -11.220 -5.076 1.00 0.00 O ATOM 885 CB SER A 57 -5.445 -13.540 -5.901 1.00 0.00 C ATOM 886 OG SER A 57 -4.076 -13.716 -6.228 1.00 0.00 O ATOM 0 H SER A 57 -4.654 -11.527 -4.794 1.00 0.00 H new ATOM 0 HA SER A 57 -5.801 -12.027 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.588 -13.677 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.044 -14.300 -6.402 1.00 0.00 H new ATOM 0 HG SER A 57 -3.787 -14.612 -5.955 1.00 0.00 H new ATOM 892 N PRO A 58 -8.317 -12.617 -6.767 1.00 0.00 N ATOM 893 CA PRO A 58 -9.770 -12.509 -6.566 1.00 0.00 C ATOM 894 C PRO A 58 -10.191 -12.623 -5.107 1.00 0.00 C ATOM 895 O PRO A 58 -11.001 -11.827 -4.623 1.00 0.00 O ATOM 896 CB PRO A 58 -10.314 -13.682 -7.372 1.00 0.00 C ATOM 897 CG PRO A 58 -9.350 -13.823 -8.492 1.00 0.00 C ATOM 898 CD PRO A 58 -7.998 -13.498 -7.917 1.00 0.00 C ATOM 0 HA PRO A 58 -10.146 -11.534 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.364 -14.590 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.322 -13.484 -7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.369 -14.834 -8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.600 -13.147 -9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.469 -14.397 -7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.362 -12.994 -8.645 1.00 0.00 H new ATOM 906 N ILE A 59 -9.633 -13.589 -4.400 1.00 0.00 N ATOM 907 CA ILE A 59 -9.984 -13.795 -3.002 1.00 0.00 C ATOM 908 C ILE A 59 -9.419 -12.692 -2.124 1.00 0.00 C ATOM 909 O ILE A 59 -10.099 -12.198 -1.233 1.00 0.00 O ATOM 910 CB ILE A 59 -9.542 -15.189 -2.482 1.00 0.00 C ATOM 911 CG1 ILE A 59 -8.013 -15.365 -2.552 1.00 0.00 C ATOM 912 CG2 ILE A 59 -10.232 -16.263 -3.290 1.00 0.00 C ATOM 913 CD1 ILE A 59 -7.528 -16.717 -2.064 1.00 0.00 C ATOM 0 H ILE A 59 -8.939 -14.241 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.072 -13.758 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.829 -15.273 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.687 -15.223 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.539 -14.584 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.925 -17.244 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -11.312 -16.160 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.958 -16.161 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.442 -16.765 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.821 -16.855 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.972 -17.504 -2.673 1.00 0.00 H new ATOM 925 N GLU A 60 -8.178 -12.309 -2.388 1.00 0.00 N ATOM 926 CA GLU A 60 -7.535 -11.228 -1.666 1.00 0.00 C ATOM 927 C GLU A 60 -8.340 -9.956 -1.829 1.00 0.00 C ATOM 928 O GLU A 60 -8.571 -9.223 -0.868 1.00 0.00 O ATOM 929 CB GLU A 60 -6.113 -11.025 -2.179 1.00 0.00 C ATOM 930 CG GLU A 60 -5.244 -12.266 -2.089 1.00 0.00 C ATOM 931 CD GLU A 60 -5.139 -12.802 -0.681 1.00 0.00 C ATOM 932 OE1 GLU A 60 -4.253 -12.344 0.071 1.00 0.00 O ATOM 933 OE2 GLU A 60 -5.933 -13.688 -0.321 1.00 0.00 O ATOM 0 H GLU A 60 -7.594 -12.738 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.487 -11.484 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.155 -10.697 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.643 -10.222 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.654 -13.040 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.246 -12.034 -2.461 1.00 0.00 H new ATOM 940 N ARG A 61 -8.779 -9.713 -3.054 1.00 0.00 N ATOM 941 CA ARG A 61 -9.622 -8.569 -3.360 1.00 0.00 C ATOM 942 C ARG A 61 -10.880 -8.614 -2.515 1.00 0.00 C ATOM 943 O ARG A 61 -11.216 -7.653 -1.848 1.00 0.00 O ATOM 944 CB ARG A 61 -9.974 -8.547 -4.872 1.00 0.00 C ATOM 945 CG ARG A 61 -11.337 -7.923 -5.215 1.00 0.00 C ATOM 946 CD ARG A 61 -11.403 -6.433 -4.897 1.00 0.00 C ATOM 947 NE ARG A 61 -10.726 -5.617 -5.902 1.00 0.00 N ATOM 948 CZ ARG A 61 -11.211 -4.466 -6.382 1.00 0.00 C ATOM 949 NH1 ARG A 61 -12.389 -4.003 -5.957 1.00 0.00 N ATOM 950 NH2 ARG A 61 -10.521 -3.784 -7.292 1.00 0.00 N ATOM 0 H ARG A 61 -8.562 -10.300 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.079 -7.654 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.196 -7.997 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.955 -9.570 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.543 -8.073 -6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.119 -8.443 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.446 -6.126 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.951 -6.252 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.829 -5.945 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.923 -4.527 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.755 -3.125 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.624 -4.139 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.889 -2.906 -7.659 1.00 0.00 H new ATOM 964 N LEU A 62 -11.550 -9.743 -2.551 1.00 0.00 N ATOM 965 CA LEU A 62 -12.786 -9.933 -1.813 1.00 0.00 C ATOM 966 C LEU A 62 -12.590 -9.722 -0.321 1.00 0.00 C ATOM 967 O LEU A 62 -13.397 -9.049 0.319 1.00 0.00 O ATOM 968 CB LEU A 62 -13.370 -11.313 -2.061 1.00 0.00 C ATOM 969 CG LEU A 62 -14.673 -11.588 -1.322 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.823 -10.811 -1.947 1.00 0.00 C ATOM 971 CD2 LEU A 62 -14.973 -13.076 -1.283 1.00 0.00 C ATOM 0 H LEU A 62 -11.257 -10.557 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.486 -9.182 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.541 -11.435 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.635 -12.063 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.558 -11.246 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.743 -11.023 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.610 -9.743 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.940 -11.110 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.909 -13.245 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.062 -13.456 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.164 -13.597 -0.770 1.00 0.00 H new ATOM 983 N GLN A 63 -11.524 -10.301 0.231 1.00 0.00 N ATOM 984 CA GLN A 63 -11.226 -10.145 1.651 1.00 0.00 C ATOM 985 C GLN A 63 -11.153 -8.676 2.005 1.00 0.00 C ATOM 986 O GLN A 63 -11.852 -8.202 2.890 1.00 0.00 O ATOM 987 CB GLN A 63 -9.893 -10.812 2.010 1.00 0.00 C ATOM 988 CG GLN A 63 -9.889 -12.324 1.896 1.00 0.00 C ATOM 989 CD GLN A 63 -8.529 -12.922 2.209 1.00 0.00 C ATOM 990 OE1 GLN A 63 -7.758 -12.376 3.005 1.00 0.00 O ATOM 991 NE2 GLN A 63 -8.226 -14.043 1.590 1.00 0.00 N ATOM 0 H GLN A 63 -10.857 -10.878 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.025 -10.625 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.115 -10.410 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.629 -10.538 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.632 -12.739 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.186 -12.611 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.891 -14.462 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.326 -14.493 1.761 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.328 -7.961 1.271 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.105 -6.556 1.523 1.00 0.00 C ATOM 1002 C LEU A 64 -11.331 -5.729 1.200 1.00 0.00 C ATOM 1003 O LEU A 64 -11.628 -4.765 1.897 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.875 -6.034 0.762 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.502 -6.277 1.430 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.449 -5.636 2.810 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.182 -7.763 1.522 1.00 0.00 C ATOM 0 H LEU A 64 -9.795 -8.336 0.486 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.906 -6.451 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.862 -6.496 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.996 -4.962 0.610 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.745 -5.809 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.473 -5.821 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.609 -4.562 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.227 -6.066 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.210 -7.897 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.947 -8.264 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.159 -8.193 0.521 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.044 -6.102 0.148 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.230 -5.385 -0.262 1.00 0.00 C ATOM 1021 C GLU A 65 -14.287 -5.469 0.810 1.00 0.00 C ATOM 1022 O GLU A 65 -14.933 -4.474 1.148 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.741 -5.954 -1.589 1.00 0.00 C ATOM 1024 CG GLU A 65 -14.861 -5.168 -2.228 1.00 0.00 C ATOM 1025 CD GLU A 65 -15.169 -5.653 -3.628 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -14.539 -5.156 -4.592 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.037 -6.531 -3.781 1.00 0.00 O ATOM 0 H GLU A 65 -11.815 -6.905 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.986 -4.333 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.908 -6.007 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.083 -6.976 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.757 -5.247 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.590 -4.113 -2.262 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.436 -6.652 1.348 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.381 -6.890 2.423 1.00 0.00 C ATOM 1036 C ASP A 66 -15.008 -6.056 3.643 1.00 0.00 C ATOM 1037 O ASP A 66 -15.871 -5.528 4.353 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.443 -8.375 2.774 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.520 -8.694 3.792 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -17.690 -8.302 3.573 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.210 -9.370 4.799 1.00 0.00 O ATOM 0 H ASP A 66 -13.911 -7.478 1.059 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.373 -6.587 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.625 -8.951 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.476 -8.692 3.164 1.00 0.00 H new ATOM 1046 N VAL A 67 -13.717 -5.923 3.865 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.213 -5.105 4.956 1.00 0.00 C ATOM 1048 C VAL A 67 -13.510 -3.630 4.706 1.00 0.00 C ATOM 1049 O VAL A 67 -13.994 -2.938 5.594 1.00 0.00 O ATOM 1050 CB VAL A 67 -11.686 -5.292 5.165 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.181 -4.413 6.299 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.354 -6.749 5.438 1.00 0.00 C ATOM 0 H VAL A 67 -12.993 -6.371 3.304 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.726 -5.434 5.860 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.183 -4.989 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.109 -4.562 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.376 -3.367 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.696 -4.679 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.279 -6.857 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.875 -7.079 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.670 -7.359 4.592 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.241 -3.163 3.485 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.449 -1.767 3.124 1.00 0.00 C ATOM 1064 C CYS A 68 -14.908 -1.367 3.273 1.00 0.00 C ATOM 1065 O CYS A 68 -15.211 -0.300 3.796 1.00 0.00 O ATOM 1066 CB CYS A 68 -12.985 -1.511 1.689 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.252 -1.917 1.376 1.00 0.00 S ATOM 0 H CYS A 68 -12.876 -3.740 2.727 1.00 0.00 H new ATOM 0 HA CYS A 68 -12.857 -1.158 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.609 -2.092 1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.147 -0.460 1.450 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.070 -3.194 1.536 1.00 0.00 H new ATOM 1073 N VAL A 69 -15.818 -2.219 2.810 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.238 -1.910 2.927 1.00 0.00 C ATOM 1075 C VAL A 69 -17.679 -1.886 4.394 1.00 0.00 C ATOM 1076 O VAL A 69 -18.661 -1.235 4.741 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.146 -2.878 2.115 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -17.716 -2.934 0.659 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -18.167 -4.267 2.722 1.00 0.00 C ATOM 0 H VAL A 69 -15.604 -3.109 2.360 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.362 -0.917 2.496 1.00 0.00 H new ATOM 0 HB VAL A 69 -19.161 -2.484 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.367 -3.618 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -17.786 -1.939 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -16.686 -3.286 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.812 -4.914 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -17.156 -4.674 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.549 -4.213 3.742 1.00 0.00 H new ATOM 1089 N LYS A 70 -16.951 -2.602 5.259 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.253 -2.613 6.688 1.00 0.00 C ATOM 1091 C LYS A 70 -16.569 -1.427 7.402 1.00 0.00 C ATOM 1092 O LYS A 70 -16.616 -1.313 8.629 1.00 0.00 O ATOM 1093 CB LYS A 70 -16.782 -3.941 7.304 1.00 0.00 C ATOM 1094 CG LYS A 70 -17.401 -4.270 8.664 1.00 0.00 C ATOM 1095 CD LYS A 70 -18.896 -4.554 8.553 1.00 0.00 C ATOM 1096 CE LYS A 70 -19.169 -5.750 7.648 1.00 0.00 C ATOM 1097 NZ LYS A 70 -20.616 -6.063 7.553 1.00 0.00 N ATOM 0 H LYS A 70 -16.153 -3.178 4.992 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.331 -2.514 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.012 -4.750 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.698 -3.912 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.897 -5.137 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.239 -3.437 9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.306 -4.745 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.407 -3.675 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.777 -5.546 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.635 -6.621 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.754 -6.883 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.986 -6.284 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.124 -5.243 7.165 1.00 0.00 H new ATOM 1111 N ILE A 71 -15.957 -0.546 6.628 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.278 0.613 7.180 1.00 0.00 C ATOM 1113 C ILE A 71 -16.195 1.826 7.143 1.00 0.00 C ATOM 1114 O ILE A 71 -16.895 2.055 6.157 1.00 0.00 O ATOM 1115 CB ILE A 71 -13.974 0.945 6.404 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -12.973 -0.206 6.518 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.352 2.255 6.893 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.646 0.072 5.853 1.00 0.00 C ATOM 0 H ILE A 71 -15.917 -0.613 5.611 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.015 0.370 8.210 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.234 1.075 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.802 -0.423 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.410 -1.101 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.441 2.458 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.059 3.071 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.112 2.170 7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.990 -0.790 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.803 0.259 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.186 0.947 6.311 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.200 2.588 8.224 1.00 0.00 N ATOM 1131 CA HIS A 72 -16.991 3.811 8.290 1.00 0.00 C ATOM 1132 C HIS A 72 -16.434 4.844 7.318 1.00 0.00 C ATOM 1133 O HIS A 72 -15.216 5.034 7.241 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.002 4.392 9.711 1.00 0.00 C ATOM 1135 CG HIS A 72 -17.819 3.615 10.694 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.287 3.048 11.830 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.141 3.333 10.724 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.246 2.451 12.513 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.380 2.609 11.864 1.00 0.00 N ATOM 0 H HIS A 72 -15.666 2.384 9.069 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.016 3.564 8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.976 4.448 10.075 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.382 5.413 9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.874 3.624 9.986 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.121 1.922 13.446 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.288 2.251 12.160 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.323 5.527 6.573 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.945 6.522 5.555 1.00 0.00 C ATOM 1149 C PRO A 73 -15.822 7.478 5.991 1.00 0.00 C ATOM 1150 O PRO A 73 -14.802 7.602 5.305 1.00 0.00 O ATOM 1151 CB PRO A 73 -18.242 7.295 5.340 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.314 6.292 5.584 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.793 5.371 6.659 1.00 0.00 C ATOM 0 HA PRO A 73 -16.543 6.038 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.322 8.137 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.300 7.701 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.237 6.778 5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.543 5.738 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.169 5.651 7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.097 4.339 6.484 1.00 0.00 H new ATOM 1161 N SER A 74 -15.996 8.139 7.128 1.00 0.00 N ATOM 1162 CA SER A 74 -15.029 9.123 7.595 1.00 0.00 C ATOM 1163 C SER A 74 -13.823 8.473 8.299 1.00 0.00 C ATOM 1164 O SER A 74 -12.800 9.121 8.503 1.00 0.00 O ATOM 1165 CB SER A 74 -15.727 10.116 8.538 1.00 0.00 C ATOM 1166 OG SER A 74 -14.845 11.131 8.979 1.00 0.00 O ATOM 0 H SER A 74 -16.799 8.011 7.744 1.00 0.00 H new ATOM 0 HA SER A 74 -14.639 9.648 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.575 10.569 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.125 9.580 9.400 1.00 0.00 H new ATOM 0 HG SER A 74 -13.923 10.800 8.946 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.933 7.196 8.639 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.860 6.503 9.358 1.00 0.00 C ATOM 1174 C TYR A 75 -11.771 6.076 8.384 1.00 0.00 C ATOM 1175 O TYR A 75 -10.628 5.820 8.770 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.429 5.293 10.098 1.00 0.00 C ATOM 1177 CG TYR A 75 -12.645 4.890 11.321 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -13.152 5.113 12.592 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -11.403 4.292 11.208 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -12.443 4.749 13.717 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -10.686 3.926 12.327 1.00 0.00 C ATOM 1182 CZ TYR A 75 -11.210 4.156 13.578 1.00 0.00 C ATOM 1183 OH TYR A 75 -10.499 3.786 14.696 1.00 0.00 O ATOM 0 H TYR A 75 -14.747 6.617 8.432 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.420 7.181 10.089 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.455 5.512 10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.469 4.447 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -14.119 5.580 12.703 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.988 4.109 10.228 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -12.853 4.928 14.700 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.717 3.461 12.222 1.00 0.00 H new ATOM 0 HH TYR A 75 -11.121 3.558 15.418 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.139 6.018 7.124 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.225 5.693 6.054 1.00 0.00 C ATOM 1195 C CYS A 76 -10.077 6.692 6.018 1.00 0.00 C ATOM 1196 O CYS A 76 -8.927 6.313 5.861 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.976 5.692 4.718 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.929 5.474 3.268 1.00 0.00 S ATOM 0 H CYS A 76 -13.093 6.197 6.810 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.809 4.700 6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.720 4.896 4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.518 6.633 4.620 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.664 5.487 2.196 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.420 7.966 6.155 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.431 9.046 6.177 1.00 0.00 C ATOM 1206 C GLY A 77 -8.245 8.754 7.083 1.00 0.00 C ATOM 1207 O GLY A 77 -7.114 8.634 6.596 1.00 0.00 O ATOM 0 H GLY A 77 -11.384 8.283 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.071 9.221 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.914 9.966 6.507 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.461 8.657 8.415 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.403 8.299 9.356 1.00 0.00 C ATOM 1213 C PRO A 78 -6.695 7.017 8.930 1.00 0.00 C ATOM 1214 O PRO A 78 -5.472 6.968 8.889 1.00 0.00 O ATOM 1215 CB PRO A 78 -8.153 8.082 10.671 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.357 8.943 10.556 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.738 8.925 9.102 1.00 0.00 C ATOM 0 HA PRO A 78 -6.627 9.061 9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.425 7.035 10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.542 8.365 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.169 8.565 11.177 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.145 9.958 10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.477 8.153 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.171 9.875 8.789 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.487 5.967 8.651 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.945 4.689 8.164 1.00 0.00 C ATOM 1227 C ALA A 79 -5.925 4.896 7.046 1.00 0.00 C ATOM 1228 O ALA A 79 -4.859 4.271 7.039 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.070 3.775 7.698 1.00 0.00 C ATOM 0 H ALA A 79 -8.502 5.979 8.754 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.427 4.213 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.650 2.834 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.747 3.578 8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.619 4.257 6.889 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.246 5.783 6.125 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.362 6.089 5.017 1.00 0.00 C ATOM 1237 C ILE A 80 -4.096 6.781 5.507 1.00 0.00 C ATOM 1238 O ILE A 80 -2.974 6.375 5.177 1.00 0.00 O ATOM 1239 CB ILE A 80 -6.061 6.982 3.967 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -7.264 6.260 3.356 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.085 7.424 2.877 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -6.931 4.929 2.717 1.00 0.00 C ATOM 0 H ILE A 80 -7.120 6.309 6.123 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.095 5.142 4.548 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.419 7.877 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.011 6.100 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.719 6.907 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.607 8.051 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.270 7.991 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.681 6.546 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.839 4.484 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.209 5.081 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.505 4.262 3.467 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.295 7.815 6.292 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.208 8.600 6.867 1.00 0.00 C ATOM 1256 C LEU A 81 -2.250 7.703 7.641 1.00 0.00 C ATOM 1257 O LEU A 81 -1.026 7.794 7.484 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.779 9.672 7.801 1.00 0.00 C ATOM 1259 CG LEU A 81 -2.756 10.568 8.496 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -2.065 11.475 7.490 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -3.421 11.383 9.595 1.00 0.00 C ATOM 0 H LEU A 81 -5.223 8.144 6.557 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.660 9.079 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.455 10.304 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.378 9.178 8.566 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.997 9.934 8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.340 12.105 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.552 10.867 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.807 12.104 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.677 12.016 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.202 12.008 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.860 10.710 10.332 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.821 6.829 8.457 1.00 0.00 N ATOM 1274 CA ARG A 82 -2.063 5.909 9.270 1.00 0.00 C ATOM 1275 C ARG A 82 -1.238 4.985 8.400 1.00 0.00 C ATOM 1276 O ARG A 82 -0.059 4.780 8.658 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.996 5.091 10.172 1.00 0.00 C ATOM 1278 CG ARG A 82 -2.274 4.051 11.016 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.239 3.243 11.867 1.00 0.00 C ATOM 1280 NE ARG A 82 -3.914 4.065 12.873 1.00 0.00 N ATOM 1281 CZ ARG A 82 -4.249 3.635 14.093 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -3.998 2.381 14.453 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -4.841 4.455 14.945 1.00 0.00 N ATOM 0 H ARG A 82 -3.831 6.743 8.569 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.389 6.489 9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.536 5.770 10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.739 4.590 9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.715 3.380 10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.549 4.547 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.984 2.776 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.696 2.438 12.363 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.143 5.028 12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.548 1.742 13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.255 2.057 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.042 5.417 14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.096 4.126 15.876 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.852 4.443 7.355 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.148 3.532 6.477 1.00 0.00 C ATOM 1299 C PHE A 83 0.053 4.216 5.831 1.00 0.00 C ATOM 1300 O PHE A 83 1.152 3.660 5.800 1.00 0.00 O ATOM 1301 CB PHE A 83 -2.069 2.943 5.398 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.393 1.857 4.630 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.874 0.760 5.293 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -1.247 1.937 3.259 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.221 -0.231 4.608 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.597 0.938 2.565 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.081 -0.145 3.247 1.00 0.00 C ATOM 0 H PHE A 83 -2.824 4.619 7.101 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.793 2.707 7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.972 2.551 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.381 3.733 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.985 0.683 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.645 2.788 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.183 -1.079 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.492 1.003 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.434 -0.926 2.708 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.157 5.434 5.352 1.00 0.00 N ATOM 1318 CA ARG A 84 0.903 6.191 4.700 1.00 0.00 C ATOM 1319 C ARG A 84 2.058 6.472 5.641 1.00 0.00 C ATOM 1320 O ARG A 84 3.208 6.169 5.327 1.00 0.00 O ATOM 1321 CB ARG A 84 0.375 7.505 4.127 1.00 0.00 C ATOM 1322 CG ARG A 84 -0.307 7.361 2.784 1.00 0.00 C ATOM 1323 CD ARG A 84 -0.654 8.717 2.196 1.00 0.00 C ATOM 1324 NE ARG A 84 -0.939 8.631 0.768 1.00 0.00 N ATOM 1325 CZ ARG A 84 -0.773 9.625 -0.097 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -0.331 10.808 0.320 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -1.044 9.431 -1.384 1.00 0.00 N ATOM 0 H ARG A 84 -1.052 5.920 5.403 1.00 0.00 H new ATOM 0 HA ARG A 84 1.270 5.571 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.329 7.942 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.204 8.206 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.345 6.820 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.214 6.767 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.520 9.128 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.173 9.407 2.361 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.291 7.744 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.118 10.954 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.205 11.569 -0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.378 8.522 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.918 10.191 -2.052 1.00 0.00 H new ATOM 1341 N GLN A 85 1.756 7.032 6.799 1.00 0.00 N ATOM 1342 CA GLN A 85 2.795 7.387 7.746 1.00 0.00 C ATOM 1343 C GLN A 85 3.470 6.147 8.334 1.00 0.00 C ATOM 1344 O GLN A 85 4.642 6.194 8.718 1.00 0.00 O ATOM 1345 CB GLN A 85 2.251 8.293 8.855 1.00 0.00 C ATOM 1346 CG GLN A 85 1.220 7.638 9.752 1.00 0.00 C ATOM 1347 CD GLN A 85 0.769 8.550 10.867 1.00 0.00 C ATOM 1348 OE1 GLN A 85 -0.203 9.296 10.726 1.00 0.00 O ATOM 1349 NE2 GLN A 85 1.477 8.515 11.972 1.00 0.00 N ATOM 0 H GLN A 85 0.807 7.249 7.104 1.00 0.00 H new ATOM 0 HA GLN A 85 3.554 7.946 7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.084 8.634 9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.808 9.178 8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.357 7.343 9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.639 6.726 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.274 7.883 12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.230 9.120 12.755 1.00 0.00 H new ATOM 1358 N LEU A 86 2.749 5.028 8.384 1.00 0.00 N ATOM 1359 CA LEU A 86 3.327 3.804 8.929 1.00 0.00 C ATOM 1360 C LEU A 86 4.288 3.191 7.933 1.00 0.00 C ATOM 1361 O LEU A 86 5.390 2.762 8.289 1.00 0.00 O ATOM 1362 CB LEU A 86 2.239 2.795 9.316 1.00 0.00 C ATOM 1363 CG LEU A 86 1.885 2.728 10.810 1.00 0.00 C ATOM 1364 CD1 LEU A 86 1.456 4.088 11.341 1.00 0.00 C ATOM 1365 CD2 LEU A 86 0.800 1.691 11.054 1.00 0.00 C ATOM 0 H LEU A 86 1.785 4.944 8.061 1.00 0.00 H new ATOM 0 HA LEU A 86 3.874 4.065 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.334 3.035 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.559 1.804 8.994 1.00 0.00 H new ATOM 0 HG LEU A 86 2.782 2.429 11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.213 4.005 12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.269 4.803 11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.579 4.432 10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.562 1.657 12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.093 1.960 10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.153 0.712 10.730 1.00 0.00 H new ATOM 1377 N LEU A 87 3.866 3.146 6.686 1.00 0.00 N ATOM 1378 CA LEU A 87 4.692 2.621 5.618 1.00 0.00 C ATOM 1379 C LEU A 87 5.952 3.441 5.465 1.00 0.00 C ATOM 1380 O LEU A 87 7.025 2.916 5.236 1.00 0.00 O ATOM 1381 CB LEU A 87 3.933 2.620 4.306 1.00 0.00 C ATOM 1382 CG LEU A 87 4.665 1.964 3.154 1.00 0.00 C ATOM 1383 CD1 LEU A 87 4.002 0.662 2.788 1.00 0.00 C ATOM 1384 CD2 LEU A 87 4.750 2.901 1.961 1.00 0.00 C ATOM 0 H LEU A 87 2.947 3.470 6.385 1.00 0.00 H new ATOM 0 HA LEU A 87 4.960 1.597 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.981 2.109 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.703 3.650 4.034 1.00 0.00 H new ATOM 0 HG LEU A 87 5.686 1.746 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.538 0.201 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.017 -0.008 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.970 0.850 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.280 2.407 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.744 3.164 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.286 3.806 2.247 1.00 0.00 H new ATOM 1396 N ALA A 88 5.803 4.724 5.625 1.00 0.00 N ATOM 1397 CA ALA A 88 6.902 5.662 5.477 1.00 0.00 C ATOM 1398 C ALA A 88 7.870 5.541 6.629 1.00 0.00 C ATOM 1399 O ALA A 88 9.050 5.869 6.508 1.00 0.00 O ATOM 1400 CB ALA A 88 6.382 7.085 5.362 1.00 0.00 C ATOM 0 H ALA A 88 4.913 5.162 5.864 1.00 0.00 H new ATOM 0 HA ALA A 88 7.435 5.417 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.222 7.771 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.731 7.165 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.820 7.341 6.260 1.00 0.00 H new ATOM 1406 N GLU A 89 7.366 5.060 7.737 1.00 0.00 N ATOM 1407 CA GLU A 89 8.177 4.852 8.918 1.00 0.00 C ATOM 1408 C GLU A 89 9.050 3.616 8.744 1.00 0.00 C ATOM 1409 O GLU A 89 10.165 3.542 9.253 1.00 0.00 O ATOM 1410 CB GLU A 89 7.287 4.692 10.150 1.00 0.00 C ATOM 1411 CG GLU A 89 8.055 4.388 11.417 1.00 0.00 C ATOM 1412 CD GLU A 89 7.156 4.091 12.590 1.00 0.00 C ATOM 1413 OE1 GLU A 89 6.809 2.913 12.792 1.00 0.00 O ATOM 1414 OE2 GLU A 89 6.791 5.033 13.318 1.00 0.00 O ATOM 0 H GLU A 89 6.386 4.801 7.850 1.00 0.00 H new ATOM 0 HA GLU A 89 8.818 5.722 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.713 5.607 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.570 3.891 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.711 3.535 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.694 5.237 11.661 1.00 0.00 H new ATOM 1421 N GLN A 90 8.536 2.665 8.004 1.00 0.00 N ATOM 1422 CA GLN A 90 9.223 1.393 7.791 1.00 0.00 C ATOM 1423 C GLN A 90 9.893 1.341 6.423 1.00 0.00 C ATOM 1424 O GLN A 90 10.599 0.373 6.106 1.00 0.00 O ATOM 1425 CB GLN A 90 8.221 0.257 7.925 1.00 0.00 C ATOM 1426 CG GLN A 90 7.532 0.232 9.273 1.00 0.00 C ATOM 1427 CD GLN A 90 6.288 -0.619 9.274 1.00 0.00 C ATOM 1428 OE1 GLN A 90 6.330 -1.810 9.562 1.00 0.00 O ATOM 1429 NE2 GLN A 90 5.173 -0.010 8.946 1.00 0.00 N ATOM 0 H GLN A 90 7.636 2.739 7.530 1.00 0.00 H new ATOM 0 HA GLN A 90 10.005 1.292 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.470 0.348 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.733 -0.692 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.226 -0.145 10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.271 1.250 9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.184 0.983 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.296 -0.530 8.924 1.00 0.00 H new ATOM 1438 N GLU A 91 9.661 2.390 5.628 1.00 0.00 N ATOM 1439 CA GLU A 91 10.189 2.514 4.260 1.00 0.00 C ATOM 1440 C GLU A 91 9.415 1.619 3.289 1.00 0.00 C ATOM 1441 O GLU A 91 8.893 0.570 3.678 1.00 0.00 O ATOM 1442 CB GLU A 91 11.694 2.210 4.179 1.00 0.00 C ATOM 1443 CG GLU A 91 12.577 3.207 4.904 1.00 0.00 C ATOM 1444 CD GLU A 91 14.044 2.951 4.652 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.636 2.105 5.353 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.619 3.600 3.750 1.00 0.00 O ATOM 0 H GLU A 91 9.095 3.188 5.917 1.00 0.00 H new ATOM 0 HA GLU A 91 10.052 3.555 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.874 1.217 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.989 2.178 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.324 4.217 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.379 3.156 5.975 1.00 0.00 H new ATOM 1453 N PRO A 92 9.313 2.033 2.012 1.00 0.00 N ATOM 1454 CA PRO A 92 8.598 1.266 0.993 1.00 0.00 C ATOM 1455 C PRO A 92 9.198 -0.125 0.776 1.00 0.00 C ATOM 1456 O PRO A 92 10.411 -0.323 0.892 1.00 0.00 O ATOM 1457 CB PRO A 92 8.740 2.114 -0.279 1.00 0.00 C ATOM 1458 CG PRO A 92 9.084 3.479 0.205 1.00 0.00 C ATOM 1459 CD PRO A 92 9.871 3.283 1.465 1.00 0.00 C ATOM 0 HA PRO A 92 7.563 1.087 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.518 1.719 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.814 2.121 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.667 4.022 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.184 4.065 0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.939 3.195 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.744 4.118 2.154 1.00 0.00 H new ATOM 1467 N GLU A 93 8.331 -1.058 0.413 1.00 0.00 N ATOM 1468 CA GLU A 93 8.668 -2.437 0.191 1.00 0.00 C ATOM 1469 C GLU A 93 7.388 -3.164 -0.101 1.00 0.00 C ATOM 1470 O GLU A 93 6.461 -3.132 0.687 1.00 0.00 O ATOM 1471 CB GLU A 93 9.372 -3.062 1.391 1.00 0.00 C ATOM 1472 CG GLU A 93 10.465 -4.022 0.985 1.00 0.00 C ATOM 1473 CD GLU A 93 11.127 -4.693 2.154 1.00 0.00 C ATOM 1474 OE1 GLU A 93 11.957 -4.045 2.817 1.00 0.00 O ATOM 1475 OE2 GLU A 93 10.843 -5.882 2.390 1.00 0.00 O ATOM 0 H GLU A 93 7.342 -0.859 0.262 1.00 0.00 H new ATOM 0 HA GLU A 93 9.367 -2.510 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.798 -2.272 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.640 -3.588 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.045 -4.783 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.218 -3.483 0.409 1.00 0.00 H new ATOM 1482 N VAL A 94 7.353 -3.815 -1.216 1.00 0.00 N ATOM 1483 CA VAL A 94 6.140 -4.448 -1.707 1.00 0.00 C ATOM 1484 C VAL A 94 5.676 -5.558 -0.768 1.00 0.00 C ATOM 1485 O VAL A 94 4.473 -5.819 -0.632 1.00 0.00 O ATOM 1486 CB VAL A 94 6.326 -4.975 -3.144 1.00 0.00 C ATOM 1487 CG1 VAL A 94 6.998 -6.338 -3.179 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.010 -4.979 -3.892 1.00 0.00 C ATOM 0 H VAL A 94 8.161 -3.933 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 94 5.359 -3.688 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 94 7.001 -4.288 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.106 -6.664 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.982 -6.270 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.389 -7.058 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.167 -5.355 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.298 -5.621 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.615 -3.964 -3.940 1.00 0.00 H new ATOM 1498 N GLN A 95 6.632 -6.183 -0.101 1.00 0.00 N ATOM 1499 CA GLN A 95 6.321 -7.221 0.874 1.00 0.00 C ATOM 1500 C GLN A 95 5.695 -6.594 2.100 1.00 0.00 C ATOM 1501 O GLN A 95 4.771 -7.147 2.692 1.00 0.00 O ATOM 1502 CB GLN A 95 7.571 -8.019 1.298 1.00 0.00 C ATOM 1503 CG GLN A 95 8.270 -8.776 0.174 1.00 0.00 C ATOM 1504 CD GLN A 95 9.145 -7.889 -0.691 1.00 0.00 C ATOM 1505 OE1 GLN A 95 9.310 -8.135 -1.883 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.736 -6.867 -0.097 1.00 0.00 N ATOM 0 H GLN A 95 7.628 -5.992 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 95 5.627 -7.915 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.285 -7.331 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.282 -8.732 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.881 -9.569 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.519 -9.257 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.576 -6.692 0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.352 -6.253 -0.631 1.00 0.00 H new ATOM 1515 N GLU A 96 6.173 -5.404 2.449 1.00 0.00 N ATOM 1516 CA GLU A 96 5.703 -4.722 3.619 1.00 0.00 C ATOM 1517 C GLU A 96 4.388 -4.068 3.334 1.00 0.00 C ATOM 1518 O GLU A 96 3.522 -4.027 4.183 1.00 0.00 O ATOM 1519 CB GLU A 96 6.723 -3.692 4.108 1.00 0.00 C ATOM 1520 CG GLU A 96 8.022 -4.309 4.600 1.00 0.00 C ATOM 1521 CD GLU A 96 7.795 -5.335 5.689 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.660 -4.941 6.864 1.00 0.00 O ATOM 1523 OE2 GLU A 96 7.742 -6.543 5.369 1.00 0.00 O ATOM 0 H GLU A 96 6.890 -4.901 1.926 1.00 0.00 H new ATOM 0 HA GLU A 96 5.569 -5.456 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.944 -2.998 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.279 -3.108 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.538 -4.779 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.676 -3.522 4.976 1.00 0.00 H new ATOM 1530 N VAL A 97 4.242 -3.576 2.114 1.00 0.00 N ATOM 1531 CA VAL A 97 3.011 -2.936 1.697 1.00 0.00 C ATOM 1532 C VAL A 97 1.846 -3.869 1.919 1.00 0.00 C ATOM 1533 O VAL A 97 0.911 -3.544 2.622 1.00 0.00 O ATOM 1534 CB VAL A 97 3.039 -2.510 0.198 1.00 0.00 C ATOM 1535 CG1 VAL A 97 1.667 -2.021 -0.252 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.067 -1.425 -0.036 1.00 0.00 C ATOM 0 H VAL A 97 4.965 -3.609 1.395 1.00 0.00 H new ATOM 0 HA VAL A 97 2.901 -2.035 2.300 1.00 0.00 H new ATOM 0 HB VAL A 97 3.312 -3.387 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.711 -1.729 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.937 -2.821 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.371 -1.163 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.067 -1.145 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.821 -0.554 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.055 -1.793 0.242 1.00 0.00 H new ATOM 1546 N SER A 98 1.947 -5.041 1.347 1.00 0.00 N ATOM 1547 CA SER A 98 0.899 -6.025 1.412 1.00 0.00 C ATOM 1548 C SER A 98 0.617 -6.487 2.848 1.00 0.00 C ATOM 1549 O SER A 98 -0.536 -6.523 3.290 1.00 0.00 O ATOM 1550 CB SER A 98 1.260 -7.214 0.524 1.00 0.00 C ATOM 1551 OG SER A 98 1.666 -6.772 -0.767 1.00 0.00 O ATOM 0 H SER A 98 2.766 -5.341 0.819 1.00 0.00 H new ATOM 0 HA SER A 98 -0.018 -5.560 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.062 -7.789 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.402 -7.880 0.433 1.00 0.00 H new ATOM 0 HG SER A 98 2.615 -6.529 -0.746 1.00 0.00 H new ATOM 1557 N GLN A 99 1.668 -6.812 3.570 1.00 0.00 N ATOM 1558 CA GLN A 99 1.521 -7.349 4.924 1.00 0.00 C ATOM 1559 C GLN A 99 1.051 -6.288 5.903 1.00 0.00 C ATOM 1560 O GLN A 99 0.288 -6.578 6.815 1.00 0.00 O ATOM 1561 CB GLN A 99 2.816 -8.051 5.408 1.00 0.00 C ATOM 1562 CG GLN A 99 4.001 -7.131 5.711 1.00 0.00 C ATOM 1563 CD GLN A 99 3.973 -6.566 7.123 1.00 0.00 C ATOM 1564 OE1 GLN A 99 3.429 -7.180 8.035 1.00 0.00 O ATOM 1565 NE2 GLN A 99 4.576 -5.408 7.311 1.00 0.00 N ATOM 0 H GLN A 99 2.633 -6.718 3.252 1.00 0.00 H new ATOM 0 HA GLN A 99 0.743 -8.111 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.583 -8.620 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.123 -8.769 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.929 -7.684 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.006 -6.308 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.017 -4.929 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.602 -4.991 8.242 1.00 0.00 H new ATOM 1574 N LEU A 100 1.475 -5.062 5.686 1.00 0.00 N ATOM 1575 CA LEU A 100 1.095 -3.962 6.544 1.00 0.00 C ATOM 1576 C LEU A 100 -0.289 -3.513 6.180 1.00 0.00 C ATOM 1577 O LEU A 100 -1.064 -3.080 7.034 1.00 0.00 O ATOM 1578 CB LEU A 100 2.080 -2.796 6.406 1.00 0.00 C ATOM 1579 CG LEU A 100 1.792 -1.565 7.263 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.984 -1.878 8.737 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.675 -0.403 6.837 1.00 0.00 C ATOM 0 H LEU A 100 2.089 -4.801 4.915 1.00 0.00 H new ATOM 0 HA LEU A 100 1.114 -4.297 7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.078 -3.159 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.102 -2.488 5.361 1.00 0.00 H new ATOM 0 HG LEU A 100 0.751 -1.277 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.774 -0.987 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.304 -2.678 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.013 -2.194 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.457 0.466 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.723 -0.680 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.479 -0.161 5.792 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.609 -3.649 4.905 1.00 0.00 N ATOM 1594 CA PHE A 101 -1.912 -3.255 4.415 1.00 0.00 C ATOM 1595 C PHE A 101 -2.987 -4.133 5.008 1.00 0.00 C ATOM 1596 O PHE A 101 -4.012 -3.651 5.466 1.00 0.00 O ATOM 1597 CB PHE A 101 -1.981 -3.308 2.897 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.261 -2.766 2.346 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.540 -1.416 2.429 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.179 -3.602 1.742 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.716 -0.905 1.918 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.359 -3.101 1.229 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.628 -1.750 1.317 1.00 0.00 C ATOM 0 H PHE A 101 0.016 -4.029 4.194 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.078 -2.223 4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.146 -2.743 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.861 -4.341 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.830 -0.752 2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.972 -4.659 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.922 0.153 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.070 -3.765 0.760 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.550 -1.355 0.917 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.732 -5.423 5.034 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.689 -6.362 5.574 1.00 0.00 C ATOM 1615 C ARG A 102 -3.661 -6.314 7.084 1.00 0.00 C ATOM 1616 O ARG A 102 -4.690 -6.472 7.738 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.394 -7.774 5.062 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.029 -8.881 5.885 1.00 0.00 C ATOM 1619 CD ARG A 102 -4.199 -10.145 5.076 1.00 0.00 C ATOM 1620 NE ARG A 102 -2.978 -10.537 4.367 1.00 0.00 N ATOM 1621 CZ ARG A 102 -2.965 -11.088 3.145 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -4.111 -11.336 2.509 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -1.811 -11.396 2.569 1.00 0.00 N ATOM 0 H ARG A 102 -1.870 -5.845 4.688 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.689 -6.086 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.744 -7.855 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.314 -7.924 5.044 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.410 -9.087 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.000 -8.550 6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.505 -10.955 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.003 -10.003 4.354 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.083 -10.381 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.000 -11.106 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.098 -11.755 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.933 -11.214 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.801 -11.815 1.639 1.00 0.00 H new ATOM 1637 N SER A 103 -2.484 -6.066 7.631 1.00 0.00 N ATOM 1638 CA SER A 103 -2.318 -5.993 9.070 1.00 0.00 C ATOM 1639 C SER A 103 -3.165 -4.869 9.662 1.00 0.00 C ATOM 1640 O SER A 103 -4.055 -5.119 10.478 1.00 0.00 O ATOM 1641 CB SER A 103 -0.843 -5.794 9.438 1.00 0.00 C ATOM 1642 OG SER A 103 -0.631 -5.966 10.827 1.00 0.00 O ATOM 0 H SER A 103 -1.628 -5.912 7.098 1.00 0.00 H new ATOM 0 HA SER A 103 -2.658 -6.939 9.493 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.229 -6.504 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.523 -4.795 9.140 1.00 0.00 H new ATOM 0 HG SER A 103 0.318 -5.835 11.032 1.00 0.00 H new ATOM 1648 N VAL A 104 -2.906 -3.638 9.232 1.00 0.00 N ATOM 1649 CA VAL A 104 -3.637 -2.470 9.723 1.00 0.00 C ATOM 1650 C VAL A 104 -5.116 -2.585 9.447 1.00 0.00 C ATOM 1651 O VAL A 104 -5.942 -2.301 10.312 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.097 -1.157 9.095 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -3.902 0.048 9.565 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -1.624 -0.972 9.428 1.00 0.00 C ATOM 0 H VAL A 104 -2.190 -3.421 8.539 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.482 -2.436 10.801 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.204 -1.235 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.501 0.953 9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.945 -0.075 9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.837 0.129 10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.263 -0.047 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.499 -0.924 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.053 -1.813 9.034 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.446 -3.007 8.251 1.00 0.00 N ATOM 1665 CA LEU A 105 -6.833 -3.163 7.853 1.00 0.00 C ATOM 1666 C LEU A 105 -7.562 -4.147 8.736 1.00 0.00 C ATOM 1667 O LEU A 105 -8.710 -3.933 9.085 1.00 0.00 O ATOM 1668 CB LEU A 105 -6.935 -3.599 6.397 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.268 -2.491 5.394 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -8.637 -1.916 5.691 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.213 -1.391 5.424 1.00 0.00 C ATOM 0 H LEU A 105 -4.770 -3.252 7.527 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.309 -2.189 7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.988 -4.055 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.698 -4.374 6.321 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.274 -2.925 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.865 -1.129 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.387 -2.704 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.646 -1.501 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.474 -0.617 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.169 -0.956 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.241 -1.812 5.169 1.00 0.00 H new ATOM 1683 N GLN A 106 -6.889 -5.213 9.113 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.503 -6.223 9.943 1.00 0.00 C ATOM 1685 C GLN A 106 -7.581 -5.741 11.372 1.00 0.00 C ATOM 1686 O GLN A 106 -8.521 -6.061 12.108 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.719 -7.529 9.853 1.00 0.00 C ATOM 1688 CG GLN A 106 -7.564 -8.760 10.094 1.00 0.00 C ATOM 1689 CD GLN A 106 -8.783 -8.808 9.185 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -9.811 -9.375 9.546 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.679 -8.204 8.005 1.00 0.00 N ATOM 0 H GLN A 106 -5.919 -5.401 8.858 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.516 -6.409 9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.260 -7.601 8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.908 -7.507 10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.958 -9.652 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.888 -8.778 11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.807 -7.744 7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.471 -8.201 7.362 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.598 -4.960 11.741 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.522 -4.391 13.073 1.00 0.00 C ATOM 1702 C GLU A 107 -7.662 -3.394 13.263 1.00 0.00 C ATOM 1703 O GLU A 107 -8.471 -3.507 14.205 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.150 -3.716 13.273 1.00 0.00 C ATOM 1705 CG GLU A 107 -4.800 -3.365 14.719 1.00 0.00 C ATOM 1706 CD GLU A 107 -5.626 -2.231 15.277 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -5.459 -1.085 14.814 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -6.440 -2.473 16.187 1.00 0.00 O ATOM 0 H GLU A 107 -5.825 -4.697 11.130 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.624 -5.178 13.821 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.378 -4.377 12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.122 -2.803 12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.939 -4.248 15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.745 -3.098 14.775 1.00 0.00 H new ATOM 1715 N VAL A 108 -7.750 -2.444 12.345 1.00 0.00 N ATOM 1716 CA VAL A 108 -8.768 -1.426 12.409 1.00 0.00 C ATOM 1717 C VAL A 108 -10.154 -2.040 12.210 1.00 0.00 C ATOM 1718 O VAL A 108 -11.147 -1.537 12.736 1.00 0.00 O ATOM 1719 CB VAL A 108 -8.517 -0.287 11.374 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.998 -0.653 9.972 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.150 0.996 11.842 1.00 0.00 C ATOM 0 H VAL A 108 -7.122 -2.363 11.546 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.722 -0.979 13.402 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.438 -0.145 11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.799 0.175 9.291 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.470 -1.542 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.069 -0.854 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.966 1.781 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -10.224 0.851 11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.719 1.286 12.800 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.205 -3.153 11.476 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.452 -3.842 11.229 1.00 0.00 C ATOM 1733 C LEU A 109 -11.969 -4.457 12.502 1.00 0.00 C ATOM 1734 O LEU A 109 -13.114 -4.282 12.845 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.282 -4.932 10.171 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.518 -5.796 9.905 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.658 -4.961 9.340 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -12.176 -6.944 8.974 1.00 0.00 C ATOM 0 H LEU A 109 -9.390 -3.589 11.046 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.169 -3.108 10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.982 -4.461 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.464 -5.584 10.476 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.850 -6.213 10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.523 -5.600 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -13.925 -4.180 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.344 -4.504 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.067 -7.547 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.812 -6.548 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.403 -7.564 9.429 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.100 -5.166 13.208 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.479 -5.844 14.439 1.00 0.00 C ATOM 1752 C GLU A 110 -12.141 -4.872 15.417 1.00 0.00 C ATOM 1753 O GLU A 110 -13.185 -5.181 16.011 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.252 -6.491 15.077 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.569 -7.385 16.259 1.00 0.00 C ATOM 1756 CD GLU A 110 -9.338 -8.050 16.818 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -8.865 -9.039 16.216 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -8.832 -7.594 17.867 1.00 0.00 O ATOM 0 H GLU A 110 -10.121 -5.287 12.947 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.203 -6.621 14.196 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.729 -7.077 14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.568 -5.707 15.401 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.047 -6.795 17.041 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.285 -8.148 15.953 1.00 0.00 H new ATOM 1765 N ARG A 111 -11.561 -3.687 15.546 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.097 -2.685 16.458 1.00 0.00 C ATOM 1767 C ARG A 111 -13.417 -2.131 15.941 1.00 0.00 C ATOM 1768 O ARG A 111 -14.458 -2.246 16.596 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.098 -1.540 16.657 1.00 0.00 C ATOM 1770 CG ARG A 111 -9.890 -1.909 17.497 1.00 0.00 C ATOM 1771 CD ARG A 111 -8.977 -0.710 17.713 1.00 0.00 C ATOM 1772 NE ARG A 111 -8.151 -0.416 16.540 1.00 0.00 N ATOM 1773 CZ ARG A 111 -8.094 0.768 15.923 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -8.886 1.767 16.305 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -7.244 0.950 14.919 1.00 0.00 N ATOM 0 H ARG A 111 -10.727 -3.397 15.036 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.272 -3.171 17.418 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.757 -1.197 15.680 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.612 -0.702 17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.220 -2.296 18.461 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.334 -2.708 17.006 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.582 0.164 17.956 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.331 -0.899 18.570 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.576 -1.171 16.166 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -9.543 1.632 17.074 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.836 2.668 15.829 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.637 0.187 14.620 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.199 1.853 14.446 1.00 0.00 H new ATOM 1789 N MET A 112 -13.351 -1.539 14.770 1.00 0.00 N ATOM 1790 CA MET A 112 -14.494 -0.904 14.124 1.00 0.00 C ATOM 1791 C MET A 112 -15.672 -1.860 13.912 1.00 0.00 C ATOM 1792 O MET A 112 -16.829 -1.476 14.088 1.00 0.00 O ATOM 1793 CB MET A 112 -14.039 -0.277 12.816 1.00 0.00 C ATOM 1794 CG MET A 112 -15.140 0.294 11.958 1.00 0.00 C ATOM 1795 SD MET A 112 -14.484 1.303 10.615 1.00 0.00 S ATOM 1796 CE MET A 112 -13.178 0.231 10.012 1.00 0.00 C ATOM 0 H MET A 112 -12.491 -1.480 14.225 1.00 0.00 H new ATOM 0 HA MET A 112 -14.871 -0.128 14.791 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.327 0.517 13.041 1.00 0.00 H new ATOM 0 HB3 MET A 112 -13.504 -1.030 12.238 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.737 -0.518 11.544 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.806 0.897 12.575 1.00 0.00 H new ATOM 0 HE1 MET A 112 -12.648 0.726 9.198 1.00 0.00 H new ATOM 0 HE2 MET A 112 -12.481 0.016 10.822 1.00 0.00 H new ATOM 0 HE3 MET A 112 -13.611 -0.701 9.649 1.00 0.00 H new ATOM 1806 N LYS A 113 -15.374 -3.087 13.547 1.00 0.00 N ATOM 1807 CA LYS A 113 -16.405 -4.107 13.336 1.00 0.00 C ATOM 1808 C LYS A 113 -17.155 -4.357 14.625 1.00 0.00 C ATOM 1809 O LYS A 113 -18.382 -4.455 14.631 1.00 0.00 O ATOM 1810 CB LYS A 113 -15.784 -5.420 12.849 1.00 0.00 C ATOM 1811 CG LYS A 113 -16.792 -6.534 12.593 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.098 -7.869 12.351 1.00 0.00 C ATOM 1813 CE LYS A 113 -15.449 -8.407 13.626 1.00 0.00 C ATOM 1814 NZ LYS A 113 -16.456 -8.860 14.619 1.00 0.00 N ATOM 0 H LYS A 113 -14.422 -3.415 13.386 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.093 -3.740 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.231 -5.228 11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.061 -5.763 13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.464 -6.621 13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -17.406 -6.280 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -16.822 -8.593 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -15.339 -7.750 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.790 -9.238 13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.826 -7.630 14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.254 -8.425 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -17.406 -8.578 14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.414 -9.895 14.708 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.408 -4.446 15.724 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.008 -4.674 17.024 1.00 0.00 C ATOM 1830 C GLN A 114 -17.962 -3.540 17.370 1.00 0.00 C ATOM 1831 O GLN A 114 -19.032 -3.766 17.923 1.00 0.00 O ATOM 1832 CB GLN A 114 -15.933 -4.806 18.101 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.983 -6.125 18.849 1.00 0.00 C ATOM 1834 CD GLN A 114 -15.673 -7.316 17.960 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -16.561 -7.889 17.332 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -14.415 -7.704 17.912 1.00 0.00 N ATOM 0 H GLN A 114 -15.391 -4.363 15.734 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.569 -5.607 16.983 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.952 -4.697 17.639 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -16.042 -3.989 18.814 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.271 -6.097 19.674 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.973 -6.252 19.287 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.706 -7.203 18.447 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.150 -8.505 17.339 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.572 -2.322 17.013 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.391 -1.147 17.270 1.00 0.00 C ATOM 1847 C GLU A 115 -19.661 -1.186 16.428 1.00 0.00 C ATOM 1848 O GLU A 115 -20.739 -0.836 16.903 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.606 0.127 16.977 1.00 0.00 C ATOM 1850 CG GLU A 115 -16.300 0.225 17.743 1.00 0.00 C ATOM 1851 CD GLU A 115 -15.603 1.545 17.534 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -14.917 1.707 16.507 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -15.734 2.433 18.406 1.00 0.00 O ATOM 0 H GLU A 115 -16.689 -2.124 16.543 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.671 -1.150 18.324 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.396 0.177 15.909 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.226 0.990 17.220 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.495 0.086 18.806 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.639 -0.584 17.432 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.523 -1.625 15.183 1.00 0.00 N ATOM 1861 CA GLU A 116 -20.659 -1.743 14.273 1.00 0.00 C ATOM 1862 C GLU A 116 -21.713 -2.664 14.867 1.00 0.00 C ATOM 1863 O GLU A 116 -22.831 -2.238 15.177 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.196 -2.308 12.923 1.00 0.00 C ATOM 1865 CG GLU A 116 -19.511 -1.300 12.021 1.00 0.00 C ATOM 1866 CD GLU A 116 -20.499 -0.389 11.335 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -20.828 -0.644 10.152 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -20.964 0.573 11.968 1.00 0.00 O ATOM 0 H GLU A 116 -18.631 -1.907 14.777 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.088 -0.752 14.124 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.512 -3.137 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -21.060 -2.717 12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.815 -0.702 12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -18.923 -1.827 11.270 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.336 -3.917 15.027 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.208 -4.939 15.586 1.00 0.00 C ATOM 1877 C GLU A 117 -22.796 -4.516 16.939 1.00 0.00 C ATOM 1878 O GLU A 117 -23.995 -4.680 17.178 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.441 -6.252 15.718 1.00 0.00 C ATOM 1880 CG GLU A 117 -20.818 -6.715 14.409 1.00 0.00 C ATOM 1881 CD GLU A 117 -20.031 -7.994 14.550 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -18.839 -7.928 14.894 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -20.604 -9.080 14.304 1.00 0.00 O ATOM 0 H GLU A 117 -20.410 -4.260 14.772 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.047 -5.076 14.904 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.656 -6.134 16.465 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.116 -7.025 16.085 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -21.606 -6.859 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.163 -5.932 14.028 1.00 0.00 H new ATOM 1890 N ALA A 118 -21.961 -3.946 17.801 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.397 -3.537 19.135 1.00 0.00 C ATOM 1892 C ALA A 118 -23.422 -2.402 19.091 1.00 0.00 C ATOM 1893 O ALA A 118 -24.388 -2.409 19.853 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.206 -3.137 19.992 1.00 0.00 C ATOM 0 H ALA A 118 -20.979 -3.756 17.602 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.887 -4.400 19.585 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.554 -2.836 20.980 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.526 -3.984 20.088 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.683 -2.304 19.522 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.237 -1.452 18.181 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.129 -0.293 18.109 1.00 0.00 C ATOM 1902 C HIS A 119 -25.440 -0.641 17.424 1.00 0.00 C ATOM 1903 O HIS A 119 -26.506 -0.235 17.872 1.00 0.00 O ATOM 1904 CB HIS A 119 -23.463 0.893 17.399 1.00 0.00 C ATOM 1905 CG HIS A 119 -22.569 1.720 18.281 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -23.011 2.837 18.965 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -21.252 1.604 18.577 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -22.003 3.369 19.636 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -20.930 2.640 19.418 1.00 0.00 N ATOM 0 H HIS A 119 -22.488 -1.457 17.489 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.344 0.001 19.136 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -22.878 0.517 16.560 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -24.240 1.536 16.984 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -20.580 0.838 18.218 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -22.052 4.251 20.257 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -20.006 2.816 19.811 1.00 0.00 H new